Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xkk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A NZ PRO 38.A O no hydrogen 2.665 N/A LYS 5.A NZ GLU 59.A OE2 no hydrogen 3.531 N/A GLU 9.A N THR 7.A OG1 no hydrogen 3.302 N/A SER 11.A N ARG 8.A O no hydrogen 3.413 N/A GLU 12.A N PHE 33.A O no hydrogen 3.129 N/A PHE 14.A N ALA 35.A O no hydrogen 2.570 N/A ILE 15.A N CYS 85.A O no hydrogen 2.982 N/A VAL 16.A N MET 37.A O no hydrogen 2.713 N/A GLU 17.A N LEU 87.A O no hydrogen 2.959 N/A GLY 22.A N GLY 18.A O no hydrogen 2.945 N/A GLY 23.A N ASP 19.A O no hydrogen 3.273 N/A SER 24.A N SER 20.A O no hydrogen 3.139 N/A ALA 25.A N ALA 21.A O no hydrogen 2.917 N/A LYS 26.A N GLY 22.A O no hydrogen 3.030 N/A GLN 27.A N GLY 23.A O no hydrogen 3.188 N/A ALA 28.A N SER 24.A O no hydrogen 2.686 N/A ARG 29.A N ALA 25.A O no hydrogen 2.629 N/A ARG 29.A NE LYS 26.A O no hydrogen 3.313 N/A ARG 29.A NH2 GLN 34.A O no hydrogen 3.232 N/A ASP 30.A N GLN 34.A OE1 no hydrogen 2.906 N/A PHE 33.A N ASP 30.A O no hydrogen 3.190 N/A GLN 34.A N ASP 30.A O no hydrogen 2.990 N/A GLN 34.A NE2 GLU 12.A OE1 no hydrogen 3.036 N/A GLN 34.A NE2 MET 174.A O no hydrogen 3.090 N/A ALA 35.A N GLU 12.A O no hydrogen 3.132 N/A MET 37.A N PHE 14.A O no hydrogen 2.475 N/A ILE 39.A N VAL 16.A O no hydrogen 2.636 N/A ARG 40.A N GLU 59.A OE2 no hydrogen 3.468 N/A LYS 42.A NZ ASP 93.A OD1 no hydrogen 2.816 N/A LYS 42.A NZ TYR 231.A OH no hydrogen 3.079 N/A ASN 45.A ND2 LEU 200.A O no hydrogen 3.412 N/A VAL 49.A N THR 46.A O no hydrogen 2.896 N/A SER 51.A OG HIS 108.A ND1 no hydrogen 2.999 N/A GLU 53.A N SER 50.A OG no hydrogen 3.000 N/A VAL 54.A N SER 50.A O no hydrogen 2.641 N/A ALA 56.A N GLU 53.A O no hydrogen 2.571 N/A GLN 58.A NE2 ASP 62.A OD2 no hydrogen 3.152 N/A VAL 60.A N SER 57.A O no hydrogen 2.868 N/A HIS 61.A N SER 57.A O no hydrogen 2.887 N/A ASP 62.A N GLN 58.A O no hydrogen 2.920 N/A ILE 63.A N VAL 60.A O no hydrogen 2.950 N/A ILE 65.A N HIS 61.A O no hydrogen 3.121 N/A ALA 66.A N ILE 63.A O no hydrogen 2.866 N/A ILE 67.A N ILE 63.A O no hydrogen 2.862 N/A VAL 69.A N ALA 64.A O no hydrogen 3.221 N/A GLY 72.A N HIS 108.A O no hydrogen 2.705 N/A ASP 75.A N SER 73.A OG no hydrogen 3.394 N/A LEU 76.A N ASP 74.A O no hydrogen 2.836 N/A SER 77.A N ASP 75.A OD1 no hydrogen 3.327 N/A SER 77.A OG ASP 75.A OD1 no hydrogen 3.121 N/A LEU 79.A N LEU 76.A O no hydrogen 2.892 N/A ARG 80.A N ILE 67.A O no hydrogen 2.600 N/A GLY 82.A N SER 11.A O no hydrogen 3.037 N/A LYS 83.A N SER 11.A O no hydrogen 3.099 N/A ILE 84.A N HIS 117.A O no hydrogen 2.843 N/A CYS 85.A N LEU 13.A O no hydrogen 3.061 N/A ILE 86.A N TYR 119.A O no hydrogen 2.787 N/A LEU 87.A N ILE 15.A O no hydrogen 2.599 N/A ASP 89.A N GLU 17.A OE2 no hydrogen 2.962 N/A SER 92.A OG ASN 230.A OD1 no hydrogen 2.772 N/A GLY 94.A N ASP 91.A OD1 no hydrogen 2.610 N/A LEU 95.A N ASP 91.A O no hydrogen 3.327 N/A HIS 96.A N SER 92.A O no hydrogen 2.878 N/A ILE 97.A N ASP 93.A O no hydrogen 3.276 N/A ALA 98.A N GLY 94.A O no hydrogen 3.408 N/A THR 99.A N LEU 95.A O no hydrogen 2.696 N/A THR 99.A OG1 LEU 95.A O no hydrogen 3.197 N/A LEU 100.A N HIS 96.A O no hydrogen 2.727 N/A LEU 101.A N ILE 97.A O no hydrogen 2.749 N/A LEU 101.A N ALA 98.A O no hydrogen 2.719 N/A CYS 102.A N ALA 98.A O no hydrogen 2.784 N/A CYS 102.A SG ALA 98.A O no hydrogen 3.637 N/A ALA 103.A N THR 99.A O no hydrogen 3.061 N/A LEU 104.A N LEU 100.A O no hydrogen 3.426 N/A PHE 105.A N LEU 101.A O no hydrogen 3.081 N/A VAL 106.A N CYS 102.A O no hydrogen 2.694 N/A LYS 107.A N ALA 103.A O no hydrogen 3.278 N/A HIS 108.A N LEU 104.A O no hydrogen 3.278 N/A HIS 108.A ND1 SER 51.A OG no hydrogen 2.999 N/A PHE 109.A N PHE 105.A O no hydrogen 2.546 N/A LEU 112.A N PHE 109.A O no hydrogen 3.036 N/A GLU 114.A N PRO 110.A O no hydrogen 2.834 N/A GLU 115.A N ALA 111.A O no hydrogen 2.995 N/A HIS 117.A N LEU 112.A O no hydrogen 2.727 N/A TYR 119.A N ILE 84.A O no hydrogen 2.802 N/A VAL 120.A N VAL 182.A O no hydrogen 3.198 N/A ALA 121.A N ILE 86.A O no hydrogen 3.271 N/A MET 122.A N ARG 180.A O no hydrogen 3.195 N/A LEU 125.A N ALA 137.A O no hydrogen 2.564 N/A PHE 126.A N ALA 137.A O no hydrogen 2.854 N/A ILE 128.A N HIS 135.A O no hydrogen 3.183 N/A ASP 133.A N ILE 130.A O no hydrogen 2.499 N/A HIS 135.A N ILE 128.A O no hydrogen 2.994 N/A ALA 137.A N PHE 126.A O no hydrogen 3.491 N/A LEU 138.A N GLU 142.A OE1 no hydrogen 3.391 N/A GLU 142.A N ASP 139.A OD1 no hydrogen 2.938 N/A GLU 144.A N ASP 140.A O no hydrogen 3.315 N/A THR 145.A N GLU 141.A O no hydrogen 3.081 N/A THR 145.A OG1 GLU 141.A O no hydrogen 2.902 N/A ILE 146.A N GLU 142.A O no hydrogen 2.795 N/A LEU 147.A N LEU 143.A O no hydrogen 2.965 N/A LEU 147.A N GLU 144.A O no hydrogen 2.823 N/A GLN 154.A NE2 ASP 129.A O no hydrogen 3.657 N/A THR 156.A N ARG 127.A O no hydrogen 3.029 N/A PHE 158.A N LEU 125.A O no hydrogen 2.893 N/A LYS 159.A N GLU 163.A OE1 no hydrogen 3.076 N/A LEU 161.A N ASP 89.A OD1 no hydrogen 3.480 N/A GLU 163.A N GLY 160.A O no hydrogen 3.231 N/A MET 164.A N LEU 161.A O no hydrogen 3.161 N/A ASN 165.A ND2 ASN 165.A O no hydrogen 2.715 N/A GLN 168.A N ASN 165.A O no hydrogen 3.026 N/A LEU 169.A N ASN 165.A O no hydrogen 2.998 N/A ARG 170.A N ALA 166.A O no hydrogen 2.862 N/A ARG 170.A NE ALA 28.A O no hydrogen 2.577 N/A THR 172.A N LEU 169.A O no hydrogen 3.371 N/A THR 172.A OG1 GLN 168.A O no hydrogen 2.859 N/A THR 172.A OG1 LEU 169.A O no hydrogen 3.248 N/A THR 173.A N LEU 169.A O no hydrogen 3.071 N/A THR 173.A OG1 LEU 169.A O no hydrogen 3.426 N/A MET 174.A N ARG 170.A O no hydrogen 2.832 N/A ASP 175.A N ARG 170.A O no hydrogen 2.927 N/A ASN 177.A N ASP 175.A OD2 no hydrogen 2.844 N/A THR 178.A N ASP 175.A O no hydrogen 3.244 N/A THR 178.A OG1 GLU 171.A O no hydrogen 3.085 N/A THR 178.A OG1 ASP 175.A OD1 no hydrogen 3.062 N/A ARG 179.A NH1 GLU 12.A OE1 no hydrogen 3.269 N/A ARG 179.A NH1 GLU 12.A OE2 no hydrogen 2.853 N/A ARG 179.A NH1 MET 174.A O no hydrogen 3.299 N/A ARG 179.A NH2 GLU 12.A OE2 no hydrogen 2.678 N/A VAL 182.A N VAL 120.A O no hydrogen 3.220 N/A GLN 183.A N GLU 216.A O no hydrogen 3.361 N/A ASP 185.A N ARG 218.A O no hydrogen 3.087 N/A LEU 191.A N ASP 188.A OD1 no hydrogen 2.595 N/A THR 192.A OG1 LEU 186.A O no hydrogen 3.225 N/A THR 192.A OG1 ASP 188.A O no hydrogen 3.022 N/A ALA 193.A N ALA 189.A O no hydrogen 2.541 N/A GLY 194.A N HIS 190.A O no hydrogen 2.799 N/A LEU 195.A N LEU 191.A O no hydrogen 2.894 N/A LEU 196.A N THR 192.A O no hydrogen 3.038 N/A ASP 197.A N ALA 193.A O no hydrogen 3.193 N/A LYS 198.A N GLY 194.A O no hydrogen 3.257 N/A LEU 199.A N LEU 195.A O no hydrogen 3.157 N/A LEU 200.A N LEU 196.A O no hydrogen 2.702 N/A ARG 204.A N ALA 201.A O no hydrogen 2.518 N/A ASP 207.A N ARG 204.A O no hydrogen 3.095 N/A ARG 208.A NH1 ALA 201.A O no hydrogen 2.799 N/A LYS 209.A N ALA 205.A O no hydrogen 3.287 N/A TRP 211.A N ASP 207.A O no hydrogen 2.802 N/A LEU 212.A N ARG 208.A O no hydrogen 3.042 N/A GLU 213.A N LYS 209.A O no hydrogen 3.340 N/A GLN 214.A N GLN 210.A O no hydrogen 2.952 N/A GLN 214.A N TRP 211.A O no hydrogen 3.059 N/A LYS 215.A N TRP 211.A O no hydrogen 2.493 N/A ASN 217.A ND2 GLN 183.A OE1 no hydrogen 3.561 N/A VAL 220.A N ASP 185.A O no hydrogen 2.773 N/A GLU 222.A N SER 219.A OG no hydrogen 2.623 N/A PHE 223.A N SER 219.A O no hydrogen 2.763 N/A THR 224.A N VAL 220.A O no hydrogen 2.803 N/A THR 224.A OG1 VAL 220.A O no hydrogen 2.840 N/A THR 224.A OG1 ALA 221.A O no hydrogen 3.565 N/A GLU 225.A N ALA 221.A O no hydrogen 3.175 N/A GLN 226.A N GLU 222.A O no hydrogen 3.101 N/A ALA 227.A N PHE 223.A O no hydrogen 2.768 N/A TYR 228.A N THR 224.A O no hydrogen 3.355 N/A LEU 229.A N GLU 225.A O no hydrogen 2.978 N/A ASN 230.A N GLN 226.A O no hydrogen 3.276 N/A TYR 231.A N ALA 227.A O no hydrogen 2.818 N/A ALA 232.A N TYR 228.A O no hydrogen 2.829 N/A MET 233.A N LEU 229.A O no hydrogen 3.065 N/A TYR 234.A N ASN 230.A O no hydrogen 3.312 N/A VAL 235.A N TYR 231.A O no hydrogen 3.189 N/A ILE 236.A N ALA 232.A O no hydrogen 2.952 N/A MET 237.A N MET 233.A O no hydrogen 2.956 N/A ASP 238.A N TYR 234.A O no hydrogen 2.620 N/A ARG 239.A NH1 ASP 93.A OD1 no hydrogen 3.439 N/A ARG 239.A NH2 ASP 93.A OD2 no hydrogen 2.443 N/A ALA 240.A N VAL 235.A O no hydrogen 2.976 N/A HIS 243.A N LEU 248.A O no hydrogen 3.285 N/A ILE 244.A N HIS 243.A ND1 no hydrogen 2.884 N/A SER 245.A N HIS 243.A ND1 no hydrogen 3.504 N/A SER 245.A OG HIS 243.A ND1 no hydrogen 2.962 N/A LEU 248.A N ASP 246.A OD1 no hydrogen 2.788 N/A LYS 249.A N GLN 252.A OE1 no hydrogen 2.750 N/A ARG 253.A N LYS 249.A O no hydrogen 3.014 N/A ARG 253.A NE ASP 246.A OD2 no hydrogen 3.014 N/A ARG 253.A NH2 ASP 246.A OD1 no hydrogen 3.280 N/A ARG 253.A NH2 ASP 246.A OD2 no hydrogen 3.316 N/A ARG 254.A N PRO 250.A O no hydrogen 2.830 N/A ARG 254.A NE GLU 362.A OE1 no hydrogen 3.331 N/A ARG 254.A NE GLU 362.A OE2 no hydrogen 2.907 N/A ARG 254.A NH1 HIS 285.A ND1 no hydrogen 3.352 N/A ARG 254.A NH2 GLU 362.A OE1 no hydrogen 3.142 N/A ILE 255.A N VAL 251.A O no hydrogen 2.988 N/A VAL 256.A N GLN 252.A O no hydrogen 3.152 N/A TYR 257.A N ARG 253.A O no hydrogen 2.661 N/A ALA 258.A N ARG 254.A O no hydrogen 2.981 N/A MET 259.A N ILE 255.A O no hydrogen 2.995 N/A SER 260.A N VAL 256.A O no hydrogen 3.236 N/A SER 260.A N TYR 257.A O no hydrogen 2.949 N/A GLU 261.A N TYR 257.A O no hydrogen 3.012 N/A LEU 262.A N MET 259.A O no hydrogen 3.383 N/A GLY 263.A N SER 260.A O no hydrogen 2.576 N/A LEU 264.A N MET 259.A O no hydrogen 3.175 N/A GLY 268.A N LYS 265.A O no hydrogen 3.035 N/A LYS 271.A N ALA 332.A O no hydrogen 3.315 N/A LYS 272.A NZ GLU 331.A OE1 no hydrogen 3.507 N/A SER 273.A N THR 330.A O no hydrogen 2.893 N/A SER 273.A OG THR 330.A O no hydrogen 2.949 N/A SER 273.A OG THR 330.A OG1 no hydrogen 2.766 N/A VAL 277.A N SER 273.A O no hydrogen 3.018 N/A GLY 278.A N ALA 274.A O no hydrogen 2.547 N/A ASP 279.A N ARG 275.A O no hydrogen 2.811 N/A ASP 279.A N THR 276.A O no hydrogen 3.124 N/A VAL 280.A N THR 276.A O no hydrogen 2.788 N/A LEU 281.A N VAL 277.A O no hydrogen 3.079 N/A LYS 283.A NZ ASP 279.A OD1 no hydrogen 2.966 N/A TYR 284.A N VAL 280.A O no hydrogen 3.127 N/A HIS 285.A N VAL 280.A O no hydrogen 2.853 N/A HIS 287.A N HIS 285.A O no hydrogen 3.028 N/A TYR 293.A N ASP 289.A O no hydrogen 2.783 N/A TYR 293.A OH ALA 326.A O no hydrogen 2.733 N/A TYR 293.A OH THR 330.A OG1 no hydrogen 2.737 N/A GLU 294.A N SER 290.A O no hydrogen 2.790 N/A ALA 295.A N ALA 291.A O no hydrogen 2.911 N/A MET 296.A N CYS 292.A O no hydrogen 2.849 N/A VAL 297.A N GLU 294.A O no hydrogen 3.005 N/A LEU 298.A N GLU 294.A O no hydrogen 3.205 N/A ALA 300.A N VAL 297.A O no hydrogen 2.760 N/A GLN 301.A N LEU 298.A O no hydrogen 2.888 N/A GLN 301.A NE2 TRP 316.A O no hydrogen 2.420 N/A GLN 301.A NE2 PRO 322.A O no hydrogen 3.147 N/A SER 304.A N GLN 301.A O no hydrogen 3.053 N/A SER 304.A OG GLN 301.A OE1 no hydrogen 3.346 N/A TYR 305.A N GLN 301.A O no hydrogen 2.650 N/A ARG 306.A NH1 ARG 306.A O no hydrogen 3.504 N/A ARG 306.A NH1 ASP 683.A OD1 no hydrogen 3.558 N/A ARG 306.A NH1 ASP 683.A OD2 no hydrogen 2.713 N/A ARG 306.A NH2 ASP 423.A OD2 no hydrogen 2.939 N/A ARG 306.A NH2 ASP 683.A OD2 no hydrogen 3.546 N/A ARG 306.A NH2 GLU 684.A O no hydrogen 3.350 N/A TYR 307.A N ASN 376.A OD1 no hydrogen 3.165 N/A TYR 307.A OH ASP 683.A OD1 no hydrogen 2.414 N/A LEU 309.A N MET 299.A O no hydrogen 3.201 N/A ILE 310.A N MET 299.A O no hydrogen 3.353 N/A GLU 311.A N LYS 333.A O no hydrogen 3.259 N/A GLN 313.A N GLU 331.A O no hydrogen 2.746 N/A GLY 314.A N GLN 313.A OE1 no hydrogen 3.063 N/A ASN 315.A ND2 SER 324.A O no hydrogen 3.274 N/A TRP 316.A NE1 GLN 313.A O no hydrogen 2.771 N/A GLY 317.A N ASN 315.A OD1 no hydrogen 2.910 N/A SER 318.A N ASP 321.A O no hydrogen 3.465 N/A SER 318.A OG ASP 321.A O no hydrogen 3.442 N/A ASP 321.A N SER 318.A OG no hydrogen 3.126 N/A SER 324.A N ASP 321.A O no hydrogen 2.819 N/A SER 324.A OG ASP 321.A O no hydrogen 2.783 N/A ALA 326.A N ASN 315.A O no hydrogen 3.169 N/A THR 330.A OG1 SER 273.A OG no hydrogen 2.766 N/A THR 330.A OG1 TYR 293.A OH no hydrogen 2.737 N/A ALA 332.A N LYS 271.A O no hydrogen 3.306 N/A LYS 333.A N GLU 311.A O no hydrogen 3.216 N/A LYS 333.A NZ SER 266.A O no hydrogen 3.172 N/A LYS 333.A NZ GLY 268.A O no hydrogen 3.074 N/A LEU 334.A N LEU 264.A O no hydrogen 2.984 N/A SER 335.A N LEU 309.A O no hydrogen 2.782 N/A SER 335.A OG PRO 308.A O no hydrogen 2.744 N/A TYR 337.A N SER 335.A OG no hydrogen 3.141 N/A SER 338.A N SER 335.A O no hydrogen 3.017 N/A SER 338.A OG LEU 309.A O no hydrogen 2.994 N/A GLU 339.A N ALA 336.A O no hydrogen 2.956 N/A LEU 340.A N TYR 337.A O no hydrogen 3.264 N/A LEU 341.A N SER 338.A O no hydrogen 3.098 N/A LEU 342.A N GLU 339.A O no hydrogen 2.787 N/A SER 343.A N GLU 339.A O no hydrogen 2.958 N/A THR 349.A OG1 GLU 344.A O no hydrogen 2.480 N/A SER 350.A OG THR 365.A O no hydrogen 3.512 N/A GLN 353.A N GLU 362.A O no hydrogen 2.857 N/A ASN 355.A N LEU 360.A O no hydrogen 3.117 N/A ASN 355.A ND2 LYS 283.A O no hydrogen 2.767 N/A GLY 358.A N ASN 355.A O no hydrogen 2.902 N/A SER 359.A N ASP 357.A OD1 no hydrogen 3.194 N/A SER 359.A OG ASP 357.A OD1 no hydrogen 2.832 N/A LEU 360.A N ASN 355.A OD1 no hydrogen 2.858 N/A GLU 362.A N GLN 353.A O no hydrogen 3.120 N/A ILE 364.A N GLU 351.A O no hydrogen 3.237 N/A LEU 366.A N ASP 246.A OD2 no hydrogen 3.038 N/A ALA 368.A N LEU 366.A O no hydrogen 3.055 N/A ARG 369.A N LEU 340.A O no hydrogen 2.691 N/A ARG 369.A NE ASP 677.A OD2 no hydrogen 3.019 N/A ARG 369.A NH1 ASP 677.A OD1 no hydrogen 3.173 N/A ARG 369.A NH2 SER 343.A OG no hydrogen 2.678 N/A ASN 372.A N VAL 370.A O no hydrogen 3.158 N/A LEU 374.A N PRO 371.A O no hydrogen 3.025 N/A ASN 376.A N ASN 372.A O no hydrogen 2.752 N/A ASN 376.A ND2 ASN 372.A OD1 no hydrogen 3.052 N/A THR 379.A OG1 THR 378.A O no hydrogen 2.668 N/A THR 379.A OG1 ASP 388.A OD1 no hydrogen 3.099 N/A GLY 380.A N THR 387.A O no hydrogen 2.897 N/A ALA 382.A N MET 385.A O no hydrogen 3.187 N/A THR 387.A N GLY 380.A O no hydrogen 2.889 N/A THR 387.A OG1 ASN 539.A O no hydrogen 3.043 N/A ASP 388.A N ASN 537.A O no hydrogen 2.973 N/A ILE 389.A N THR 378.A O no hydrogen 2.517 N/A HIS 392.A N LEU 375.A O no hydrogen 3.233 N/A HIS 392.A ND1 LEU 374.A O no hydrogen 2.967 N/A ASN 393.A ND2 ASP 423.A OD2 no hydrogen 3.030 N/A ASN 393.A ND2 ASP 683.A O no hydrogen 2.859 N/A LEU 394.A N TYR 307.A OH no hydrogen 2.851 N/A ARG 395.A NE ALA 678.A O no hydrogen 3.189 N/A GLU 396.A N ASN 393.A OD1 no hydrogen 2.884 N/A VAL 397.A N ASN 393.A O no hydrogen 2.926 N/A VAL 398.A N LEU 394.A O no hydrogen 2.794 N/A LYS 399.A N ARG 395.A O no hydrogen 2.999 N/A GLY 400.A N GLU 396.A O no hydrogen 3.148 N/A THR 401.A N VAL 397.A O no hydrogen 3.056 N/A THR 401.A OG1 VAL 397.A O no hydrogen 2.844 N/A THR 401.A OG1 VAL 398.A O no hydrogen 2.807 N/A ILE 402.A N VAL 398.A O no hydrogen 2.788 N/A ALA 403.A N LYS 399.A O no hydrogen 2.749 N/A LEU 404.A N GLY 400.A O no hydrogen 2.729 N/A ILE 405.A N THR 401.A O no hydrogen 2.792 N/A ARG 406.A N ILE 402.A O no hydrogen 3.288 N/A ASN 407.A N ALA 403.A O no hydrogen 2.986 N/A GLN 409.A N ASN 407.A OD1 no hydrogen 2.630 N/A THR 410.A N ASN 407.A O no hydrogen 3.409 N/A THR 410.A OG1 ASN 407.A O no hydrogen 2.933 N/A GLU 413.A N GLU 413.A OE1 no hydrogen 2.844 N/A LYS 414.A N SER 411.A OG no hydrogen 2.840 N/A LEU 415.A N SER 411.A O no hydrogen 2.866 N/A ALA 416.A N ASP 412.A O no hydrogen 2.805 N/A GLU 417.A N LYS 414.A O no hydrogen 2.660 N/A TYR 418.A N LEU 415.A O no hydrogen 2.697 N/A ILE 419.A N LEU 415.A O no hydrogen 3.073 N/A ASP 423.A N PRO 391.A O no hydrogen 2.848 N/A LEU 424.A N SER 687.A OG no hydrogen 2.988 N/A THR 426.A OG1 LEU 466.A O no hydrogen 2.974 N/A ALA 428.A N THR 426.A OG1 no hydrogen 3.384 N/A GLU 429.A N ARG 451.A O no hydrogen 3.132 N/A ILE 430.A N PRO 688.A O no hydrogen 2.936 N/A ILE 431.A N ARG 449.A O no hydrogen 2.919 N/A LEU 437.A N PRO 433.A O no hydrogen 3.111 N/A LEU 438.A N PRO 434.A O no hydrogen 2.915 N/A LYS 439.A N GLU 435.A O no hydrogen 3.053 N/A ILE 440.A N GLU 436.A O no hydrogen 2.841 N/A GLN 441.A N LEU 437.A O no hydrogen 2.804 N/A GLN 441.A NE2 ILE 419.A O no hydrogen 2.730 N/A GLN 441.A NE2 PRO 420.A O no hydrogen 2.685 N/A THR 442.A N LEU 438.A O no hydrogen 2.861 N/A THR 442.A OG1 LEU 438.A O no hydrogen 3.511 N/A THR 442.A OG1 LYS 439.A O no hydrogen 3.465 N/A THR 443.A N LYS 439.A O no hydrogen 2.926 N/A THR 443.A OG1 LYS 439.A O no hydrogen 2.671 N/A THR 443.A OG1 ARG 445.A O no hydrogen 2.864 N/A GLY 444.A N ILE 440.A O no hydrogen 2.762 N/A SER 447.A OG GLY 446.A O no hydrogen 3.401 N/A SER 447.A OG TYR 534.A O no hydrogen 3.479 N/A TYR 448.A N TYR 534.A O no hydrogen 3.175 N/A ARG 449.A N THR 432.A OG1 no hydrogen 3.082 N/A MET 450.A N SER 532.A O no hydrogen 2.957 N/A ARG 451.A N GLU 429.A O no hydrogen 2.834 N/A ALA 452.A N LEU 530.A O no hydrogen 2.784 N/A VAL 453.A N GLU 465.A O no hydrogen 2.882 N/A TYR 454.A OH GLU 518.A OE2 no hydrogen 3.312 N/A THR 455.A N VAL 462.A O no hydrogen 3.068 N/A GLU 457.A N GLU 460.A O no hydrogen 2.903 N/A ASN 459.A ND2 ARG 511.A O no hydrogen 2.783 N/A GLU 460.A N GLU 457.A O no hydrogen 3.076 N/A ILE 461.A N ILE 508.A O no hydrogen 2.675 N/A VAL 462.A N THR 455.A O no hydrogen 2.983 N/A ILE 463.A N LEU 506.A O no hydrogen 3.080 N/A THR 464.A N VAL 453.A O no hydrogen 3.121 N/A THR 464.A OG1 GLU 465.A OE2 no hydrogen 3.469 N/A TYR 468.A OH SER 304.A O no hydrogen 2.846 N/A VAL 470.A N PRO 467.A O no hydrogen 3.031 N/A SER 471.A OG ASP 320.A O no hydrogen 2.974 N/A SER 471.A OG ASP 320.A OD1 no hydrogen 3.054 N/A SER 473.A N ASP 320.A OD1 no hydrogen 2.923 N/A SER 473.A OG ASP 320.A OD1 no hydrogen 3.120 N/A SER 473.A OG ASP 320.A OD2 no hydrogen 3.309 N/A LYS 474.A N SER 471.A OG no hydrogen 3.145 N/A VAL 475.A N SER 471.A O no hydrogen 3.298 N/A ILE 476.A N GLY 472.A O no hydrogen 3.155 N/A THR 477.A N SER 473.A O no hydrogen 2.631 N/A GLN 478.A N LYS 474.A O no hydrogen 2.812 N/A GLN 478.A NE2 ASP 529.A OD2 no hydrogen 2.616 N/A ILE 479.A N VAL 475.A O no hydrogen 2.851 N/A ALA 480.A N ILE 476.A O no hydrogen 3.062 N/A ASP 481.A N THR 477.A O no hydrogen 2.922 N/A ASP 481.A N GLN 478.A O no hydrogen 3.304 N/A GLN 482.A N GLN 478.A O no hydrogen 3.459 N/A MET 483.A N ILE 479.A O no hydrogen 3.242 N/A GLN 484.A N ALA 480.A O no hydrogen 3.040 N/A ALA 485.A N ASP 481.A O no hydrogen 2.824 N/A LYS 486.A N MET 483.A O no hydrogen 2.919 N/A LYS 487.A N GLN 482.A O no hydrogen 2.791 N/A VAL 492.A N VAL 509.A O no hydrogen 2.851 N/A VAL 494.A N ASP 493.A OD2 no hydrogen 2.532 N/A ARG 495.A N VAL 507.A O no hydrogen 2.851 N/A SER 498.A OG GLU 497.A O no hydrogen 2.554 N/A ASP 499.A N ASN 502.A O no hydrogen 2.999 N/A HIS 500.A ND1 GLU 501.A OE1 no hydrogen 2.791 N/A ASN 502.A N ASP 499.A OD2 no hydrogen 2.510 N/A LEU 506.A N ILE 463.A O no hydrogen 2.858 N/A VAL 507.A N ARG 495.A O no hydrogen 2.845 N/A ILE 508.A N ILE 461.A O no hydrogen 2.953 N/A VAL 509.A N ASP 493.A O no hydrogen 3.101 N/A LEU 510.A N ASN 459.A O no hydrogen 2.607 N/A ILE 515.A N SER 512.A O no hydrogen 3.195 N/A ALA 517.A N ILE 515.A O no hydrogen 3.081 N/A ALA 519.A N ASP 516.A O no hydrogen 2.624 N/A MET 521.A N ALA 517.A O no hydrogen 2.593 N/A SER 522.A N GLU 518.A O no hydrogen 2.715 N/A HIS 523.A N ALA 519.A O no hydrogen 2.532 N/A LEU 524.A N VAL 520.A O no hydrogen 2.735 N/A PHE 525.A N MET 521.A O no hydrogen 2.906 N/A THR 527.A N LEU 524.A O no hydrogen 2.760 N/A THR 527.A OG1 HIS 523.A O no hydrogen 2.907 N/A THR 527.A OG1 LEU 524.A O no hydrogen 3.200 N/A THR 528.A N LEU 524.A O no hydrogen 2.697 N/A THR 528.A OG1 LEU 524.A O no hydrogen 2.717 N/A ASP 529.A N GLN 478.A OE1 no hydrogen 2.858 N/A SER 532.A N MET 450.A O no hydrogen 3.062 N/A TYR 534.A N TYR 448.A O no hydrogen 2.768 N/A TYR 534.A OH TYR 468.A O no hydrogen 2.345 N/A VAL 536.A N GLY 446.A O no hydrogen 3.281 N/A ASN 537.A N ASP 388.A O no hydrogen 2.939 N/A ASN 539.A N ASN 537.A O no hydrogen 2.494 N/A ASN 539.A ND2 ALA 386.A O no hydrogen 3.693 N/A ILE 541.A N PRO 242.A O no hydrogen 2.606 N/A GLY 542.A N ARG 546.A O no hydrogen 2.861 N/A GLU 543.A N GLU 558.A OE2 no hydrogen 3.324 N/A GLY 545.A N GLY 542.A O no hydrogen 2.733 N/A GLN 548.A N MET 540.A O no hydrogen 3.113 N/A LYS 550.A N LEU 538.A O no hydrogen 2.892 N/A LYS 550.A NZ GLN 548.A OE1 no hydrogen 3.223 N/A LYS 550.A NZ GLU 558.A OE1 no hydrogen 3.014 N/A LYS 550.A NZ GLU 558.A OE2 no hydrogen 3.255 N/A SER 551.A OG GLN 441.A O no hydrogen 3.476 N/A ILE 552.A N GLN 441.A O no hydrogen 3.324 N/A ARG 553.A N SER 551.A OG no hydrogen 3.102 N/A ILE 555.A N SER 551.A O no hydrogen 2.839 N/A LEU 556.A N ILE 552.A O no hydrogen 3.164 N/A LEU 557.A N ARG 553.A O no hydrogen 2.737 N/A GLU 558.A N ARG 554.A O no hydrogen 2.784 N/A TRP 559.A N ILE 555.A O no hydrogen 2.986 N/A TRP 559.A NE1 SER 245.A O no hydrogen 2.916 N/A ILE 560.A N LEU 556.A O no hydrogen 2.988 N/A GLU 561.A N LEU 557.A O no hydrogen 3.292 N/A ILE 562.A N GLU 558.A O no hydrogen 3.258 N/A ILE 562.A N TRP 559.A O no hydrogen 2.456 N/A ARG 563.A N TRP 559.A O no hydrogen 2.832 N/A ARG 563.A NH1 GLU 344.A OE1 no hydrogen 3.043 N/A ARG 563.A NH2 GLU 344.A OE2 no hydrogen 3.553 N/A LYS 564.A N ILE 560.A O no hydrogen 2.873 N/A LYS 564.A NZ GLU 561.A OE1 no hydrogen 3.174 N/A THR 566.A N ILE 562.A O no hydrogen 3.149 N/A THR 566.A OG1 ILE 562.A O no hydrogen 2.780 N/A VAL 567.A N ARG 563.A O no hydrogen 2.967 N/A THR 568.A N LYS 564.A O no hydrogen 3.251 N/A THR 568.A OG1 LYS 564.A O no hydrogen 2.963 N/A ARG 569.A N LYS 565.A O no hydrogen 3.193 N/A ARG 570.A N THR 566.A O no hydrogen 3.063 N/A ARG 570.A NH1 GLU 673.A OE1 no hydrogen 3.073 N/A ARG 570.A NH2 GLU 673.A OE1 no hydrogen 3.540 N/A ARG 570.A NH2 GLU 673.A OE2 no hydrogen 2.835 N/A LEU 571.A N VAL 567.A O no hydrogen 2.974 N/A GLN 572.A N THR 568.A O no hydrogen 2.946 N/A TYR 573.A N ARG 569.A O no hydrogen 2.812 N/A HIS 574.A N ARG 570.A O no hydrogen 2.929 N/A HIS 574.A NE2 GLN 347.A OE1 no hydrogen 2.879 N/A LEU 575.A N LEU 571.A O no hydrogen 2.836 N/A ASN 576.A N GLN 572.A O no hydrogen 2.854 N/A ARG 577.A N HIS 574.A O no hydrogen 3.104 N/A ILE 578.A N HIS 574.A O no hydrogen 3.013 N/A GLU 579.A N LEU 575.A O no hydrogen 2.862 N/A ARG 581.A N ARG 577.A O no hydrogen 2.762 N/A ARG 581.A NE GLU 645.A OE1 no hydrogen 3.149 N/A ARG 581.A NH2 GLU 645.A OE1 no hydrogen 2.605 N/A ARG 581.A NH2 GLU 645.A OE2 no hydrogen 2.979 N/A LEU 582.A N ILE 578.A O no hydrogen 2.776 N/A HIS 583.A N GLU 579.A O no hydrogen 2.844 N/A HIS 583.A NE2 ASP 619.A OD2 no hydrogen 3.366 N/A ILE 584.A N LYS 580.A O no hydrogen 3.454 N/A LEU 585.A N ARG 581.A O no hydrogen 2.959 N/A ALA 586.A N LEU 582.A O no hydrogen 2.865 N/A GLY 587.A N HIS 583.A O no hydrogen 3.243 N/A LEU 588.A N ILE 584.A O no hydrogen 2.826 N/A LEU 589.A N LEU 585.A O no hydrogen 3.076 N/A ILE 590.A N GLY 587.A O no hydrogen 2.929 N/A ALA 591.A N GLY 587.A O no hydrogen 3.248 N/A ALA 591.A N LEU 588.A O no hydrogen 2.499 N/A TYR 592.A N LEU 588.A O no hydrogen 3.145 N/A TYR 592.A OH HIS 633.A O no hydrogen 2.625 N/A THR 597.A N ASP 594.A OD1 no hydrogen 3.181 N/A THR 597.A OG1 ASP 594.A OD1 no hydrogen 2.777 N/A THR 597.A OG1 ASP 594.A OD2 no hydrogen 2.695 N/A ILE 599.A N ILE 595.A O no hydrogen 3.288 N/A ARG 600.A N ASP 596.A O no hydrogen 2.833 N/A ILE 601.A N THR 597.A O no hydrogen 2.583 N/A ILE 602.A N VAL 598.A O no hydrogen 2.996 N/A ARG 603.A N ILE 599.A O no hydrogen 3.001 N/A GLU 604.A N ARG 600.A O no hydrogen 2.790 N/A ASP 606.A N GLU 605.A OE2 no hydrogen 3.170 N/A LEU 612.A N PRO 608.A O no hydrogen 3.170 N/A MET 613.A N LYS 609.A O no hydrogen 3.230 N/A GLU 614.A N PRO 610.A O no hydrogen 3.056 N/A HIS 615.A N VAL 611.A O no hydrogen 2.880 N/A PHE 616.A N LEU 612.A O no hydrogen 3.303 N/A ILE 618.A N MET 613.A O no hydrogen 3.277 N/A ASP 619.A N GLN 622.A OE1 no hydrogen 3.128 N/A GLN 622.A N ASP 619.A OD1 no hydrogen 2.919 N/A GLN 622.A NE2 HIS 583.A O no hydrogen 3.358 N/A ALA 623.A N ASP 619.A O no hydrogen 3.139 N/A ILE 626.A N GLN 622.A O no hydrogen 3.235 N/A LEU 627.A N ALA 623.A O no hydrogen 3.143 N/A HIS 633.A N LYS 630.A O no hydrogen 2.956 N/A LEU 634.A N LEU 631.A O no hydrogen 2.857 N/A ALA 635.A N ARG 632.A O no hydrogen 3.486 N/A GLU 639.A N LYS 636.A O no hydrogen 3.395 N/A MET 640.A N LYS 636.A O no hydrogen 3.448 N/A GLU 641.A N LEU 637.A O no hydrogen 3.098 N/A ILE 642.A N GLU 639.A O no hydrogen 2.873 N/A GLU 645.A N GLU 641.A O no hydrogen 3.361 N/A GLN 646.A N ARG 643.A O no hydrogen 3.210 N/A GLU 648.A N HIS 644.A O no hydrogen 3.185 N/A LEU 649.A N GLU 645.A O no hydrogen 3.325 N/A SER 650.A N GLN 646.A O no hydrogen 2.866 N/A ALA 651.A N ASP 647.A O no hydrogen 3.081 N/A ALA 651.A N GLU 648.A O no hydrogen 2.874 N/A LYS 652.A N GLU 648.A O no hydrogen 2.821 N/A ALA 653.A N LEU 649.A O no hydrogen 3.048 N/A ALA 654.A N SER 650.A O no hydrogen 3.391 N/A ILE 655.A N ALA 651.A O no hydrogen 3.005 N/A ILE 656.A N LYS 652.A O no hydrogen 3.169 N/A ILE 656.A N ALA 653.A O no hydrogen 3.092 N/A ARG 657.A N ALA 653.A O no hydrogen 2.854 N/A ARG 657.A NH2 GLU 579.A OE2 no hydrogen 3.531 N/A GLU 658.A N ALA 654.A O no hydrogen 2.998 N/A LEU 660.A N ILE 656.A O no hydrogen 2.953 N/A GLU 661.A N ARG 657.A O no hydrogen 3.081 N/A ASN 662.A N GLU 658.A O no hydrogen 3.040 N/A GLU 664.A N ASN 662.A OD1 no hydrogen 2.841 N/A SER 665.A N ASN 662.A O no hydrogen 2.869 N/A SER 665.A OG GLU 658.A OE1 no hydrogen 2.597 N/A SER 665.A OG ASN 662.A O no hydrogen 3.488 N/A LEU 666.A N ASN 662.A O no hydrogen 3.231 N/A LEU 666.A N PRO 663.A O no hydrogen 3.344 N/A LYS 667.A N PRO 663.A O no hydrogen 3.269 N/A ILE 670.A N LEU 666.A O no hydrogen 2.878 N/A ILE 671.A N LYS 667.A O no hydrogen 2.703 N/A SER 672.A N ASN 668.A O no hydrogen 2.884 N/A SER 672.A OG LEU 669.A O no hydrogen 2.944 N/A GLU 673.A N LEU 669.A O no hydrogen 2.872 N/A LEU 674.A N ILE 670.A O no hydrogen 2.839 N/A LYS 675.A N ILE 671.A O no hydrogen 2.937 N/A GLU 676.A N SER 672.A O no hydrogen 2.837 N/A ASP 677.A N GLU 673.A O no hydrogen 3.479 N/A ALA 678.A N LEU 674.A O no hydrogen 2.989 N/A LYS 680.A N GLU 676.A O no hydrogen 2.840 N/A PHE 681.A N ASP 677.A O no hydrogen 2.610 N/A GLU 684.A N GLU 684.A OE2 no hydrogen 2.488 N/A ARG 685.A NE GLU 396.A OE2 no hydrogen 2.971 N/A ARG 685.A NH1 PRO 422.A O no hydrogen 2.840 N/A ARG 685.A NH1 SER 687.A O no hydrogen 3.108 N/A ARG 685.A NH2 GLU 396.A OE1 no hydrogen 2.555 N/A ARG 685.A NH2 GLU 396.A OE2 no hydrogen 3.560 N/A ARG 685.A NH2 ALA 421.A O no hydrogen 2.611 N/A ARG 685.A NH2 PRO 422.A O no hydrogen 3.475 N/A ARG 686.A N ASP 423.A OD1 no hydrogen 3.065 N/A ARG 686.A N ASP 423.A OD2 no hydrogen 3.346 N/A ARG 686.A NH2 ASP 683.A OD2 no hydrogen 2.968 N/A SER 687.A N ASP 423.A OD1 no hydrogen 3.366 N/A SER 687.A OG ASP 423.A OD1 no hydrogen 3.311 N/A VAL 690.A N ILE 430.A O no hydrogen 3.284 N/A