Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7akp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N THR 2.A O no hydrogen 3.189 N/A LEU 6.A N THR 2.A O no hydrogen 3.345 N/A GLN 7.A N PHE 3.A O no hydrogen 3.076 N/A GLN 8.A N THR 4.A O no hydrogen 2.908 N/A ARG 9.A N ALA 5.A O no hydrogen 3.191 N/A LEU 10.A N GLN 7.A O no hydrogen 3.125 N/A SER 12.A N ARG 9.A O no hydrogen 3.265 N/A SER 12.A OG ASP 11.A OD2 no hydrogen 3.419 N/A LEU 15.A N LYS 113.A O no hydrogen 3.437 N/A ARG 18.A N MET 14.A O no hydrogen 3.131 N/A PHE 21.A N ASP 17.A O no hydrogen 3.258 N/A SER 22.A N ARG 18.A O no hydrogen 3.080 N/A ARG 23.A N LEU 19.A O no hydrogen 3.272 N/A ARG 24.A N ARG 20.A O no hydrogen 3.191 N/A ARG 24.A NH1 ARG 20.A O no hydrogen 2.562 N/A LEU 25.A N PHE 21.A O no hydrogen 2.762 N/A HIS 26.A N SER 22.A O no hydrogen 3.289 N/A GLY 27.A N ARG 23.A O no hydrogen 3.190 N/A VAL 28.A N LEU 25.A O no hydrogen 3.199 N/A LYS 29.A N HIS 26.A O no hydrogen 3.141 N/A VAL 31.A N VAL 28.A O no hydrogen 3.225 N/A ALA 36.A N ASN 33.A OD1 no hydrogen 2.958 N/A GLN 37.A N ASN 33.A O no hydrogen 3.244 N/A GLN 37.A NE2 VAL 28.A O no hydrogen 3.454 N/A GLN 38.A N PRO 34.A O no hydrogen 3.306 N/A ALA 39.A N ASP 35.A O no hydrogen 3.021 N/A ILE 40.A N ALA 36.A O no hydrogen 3.225 N/A PHE 41.A N GLN 37.A O no hydrogen 2.801 N/A GLN 42.A N GLN 38.A O no hydrogen 3.255 N/A GLN 42.A N ALA 39.A O no hydrogen 2.873 N/A GLU 43.A N ALA 39.A O no hydrogen 3.203 N/A MET 44.A N ILE 40.A O no hydrogen 3.259 N/A ALA 45.A N PHE 41.A O no hydrogen 3.303 N/A LYS 46.A N GLN 42.A O no hydrogen 3.356 N/A ILE 48.A N MET 44.A O no hydrogen 3.012 N/A ASP 49.A N ALA 45.A O no hydrogen 2.748 N/A GLN 50.A N LYS 46.A O no hydrogen 3.066 N/A ALA 51.A N GLU 47.A O no hydrogen 2.865 N/A ALA 52.A N ILE 48.A O no hydrogen 2.721 N/A GLY 53.A N ASP 49.A O no hydrogen 3.065 N/A GLY 53.A N GLN 50.A O no hydrogen 3.122 N/A LYS 54.A N GLN 50.A O no hydrogen 3.176 N/A VAL 55.A N ALA 51.A O no hydrogen 3.338 N/A LEU 56.A N ALA 52.A O no hydrogen 3.285 N/A LEU 57.A N GLY 53.A O no hydrogen 2.920 N/A ARG 58.A N LYS 54.A O no hydrogen 3.188 N/A ARG 58.A NH1 ILE 112.A O no hydrogen 3.294 N/A ARG 58.A NH2 ASP 157.A O no hydrogen 3.067 N/A ARG 58.A NH2 THR 159.A O no hydrogen 2.586 N/A GLU 59.A N VAL 55.A O no hydrogen 2.916 N/A ALA 60.A N LEU 56.A O no hydrogen 2.872 N/A ALA 61.A N LEU 57.A O no hydrogen 2.979 N/A ARG 62.A NH1 MET 106.A O no hydrogen 3.273 N/A THR 66.A OG1 GLU 136.A O no hydrogen 3.305 N/A TYR 67.A OH GLU 107.A OE1 no hydrogen 2.293 N/A LYS 73.A NZ GLU 239.A O no hydrogen 3.386 N/A LYS 74.A N SER 71.A O no hydrogen 3.293 N/A LYS 74.A NZ GLN 75.A OE1 no hydrogen 2.808 N/A LYS 74.A NZ GLU 107.A OE2 no hydrogen 3.417 N/A ILE 77.A N LYS 73.A O no hydrogen 2.672 N/A LEU 78.A N LYS 74.A O no hydrogen 2.760 N/A GLU 79.A N GLN 75.A O no hydrogen 3.254 N/A ALA 80.A N ASP 76.A O no hydrogen 3.125 N/A ILE 81.A N ILE 77.A O no hydrogen 2.967 N/A ARG 82.A N LEU 78.A O no hydrogen 3.223 N/A ARG 82.A NE ASP 83.A OD1 no hydrogen 2.843 N/A ARG 82.A NH2 GLU 79.A OE2 no hydrogen 3.459 N/A ARG 82.A NH2 ASP 83.A OD1 no hydrogen 3.201 N/A ASP 83.A N GLU 79.A O no hydrogen 3.321 N/A GLN 85.A NE2 ARG 211.A O no hydrogen 2.772 N/A GLN 85.A NE2 LEU 214.A O no hydrogen 3.464 N/A VAL 87.A N ILE 216.A O no hydrogen 3.130 N/A ILE 88.A N PRO 236.A O no hydrogen 3.017 N/A VAL 89.A N ILE 218.A O no hydrogen 3.011 N/A ALA 90.A N ILE 238.A O no hydrogen 2.889 N/A GLY 91.A N SER 220.A O no hydrogen 3.059 N/A GLY 94.A N GLU 92.A O no hydrogen 2.161 N/A SER 95.A OG SER 95.A O no hydrogen 2.533 N/A THR 98.A N SER 95.A O no hydrogen 3.331 N/A THR 98.A OG1 ASP 188.A OD2 no hydrogen 2.706 N/A THR 99.A OG1 GLY 96.A O no hydrogen 3.350 N/A GLN 100.A N LYS 97.A O no hydrogen 3.175 N/A GLN 100.A NE2 GLU 136.A OE2 no hydrogen 2.554 N/A LEU 101.A N LYS 97.A O no hydrogen 2.977 N/A LYS 103.A NZ THR 99.A O no hydrogen 2.789 N/A ILE 104.A N GLN 100.A O no hydrogen 3.069 N/A CYS 105.A N LEU 101.A O no hydrogen 3.021 N/A CYS 105.A SG LEU 101.A O no hydrogen 3.146 N/A MET 106.A N PRO 102.A O no hydrogen 3.057 N/A GLU 107.A N LYS 103.A O no hydrogen 2.758 N/A LEU 108.A N ILE 104.A O no hydrogen 3.120 N/A LEU 108.A N CYS 105.A O no hydrogen 2.754 N/A GLY 109.A N CYS 105.A O no hydrogen 3.065 N/A GLY 109.A N MET 106.A O no hydrogen 2.864 N/A ARG 110.A N CYS 105.A O no hydrogen 3.359 N/A ARG 110.A NH2 ASP 183.A O no hydrogen 2.943 N/A ARG 110.A NH2 ASP 213.A O no hydrogen 2.821 N/A LYS 113.A NZ ASP 11.A O no hydrogen 2.867 N/A LEU 115.A N GLN 181.A O no hydrogen 2.913 N/A ILE 116.A N MET 160.A O no hydrogen 3.009 N/A GLY 117.A N THR 184.A O no hydrogen 2.819 N/A HIS 118.A N LYS 162.A O no hydrogen 2.688 N/A HIS 118.A NE2 GLN 120.A OE1 no hydrogen 2.898 N/A HIS 118.A NE2 ASP 188.A OD2 no hydrogen 3.202 N/A THR 119.A N ILE 186.A O no hydrogen 2.661 N/A GLN 120.A N MET 164.A O no hydrogen 2.769 N/A ALA 126.A N ARG 123.A O no hydrogen 3.237 N/A ARG 127.A N ARG 123.A O no hydrogen 3.458 N/A THR 128.A N LEU 124.A O no hydrogen 3.305 N/A THR 128.A OG1 LEU 124.A O no hydrogen 3.202 N/A ALA 130.A N ALA 126.A O no hydrogen 3.030 N/A ASN 131.A N ARG 127.A O no hydrogen 2.686 N/A ARG 132.A N THR 128.A O no hydrogen 2.665 N/A ILE 133.A N VAL 129.A O no hydrogen 2.819 N/A ALA 134.A N ALA 130.A O no hydrogen 2.834 N/A GLU 135.A N ASN 131.A O no hydrogen 2.846 N/A GLU 136.A N ARG 132.A O no hydrogen 3.230 N/A LEU 137.A N ILE 133.A O no hydrogen 3.158 N/A LYS 138.A N GLU 135.A O no hydrogen 2.749 N/A THR 139.A N ALA 134.A O no hydrogen 2.881 N/A THR 139.A OG1 ALA 134.A O no hydrogen 3.167 N/A CYS 144.A SG ALA 61.A O no hydrogen 3.658 N/A GLY 146.A N VAL 161.A O no hydrogen 3.273 N/A LYS 148.A N LEU 163.A O no hydrogen 2.929 N/A LYS 148.A NZ GLU 172.A OE2 no hydrogen 3.001 N/A ARG 150.A NE ASP 153.A OD2 no hydrogen 3.269 N/A ARG 150.A NH2 ASP 153.A OD1 no hydrogen 3.140 N/A ARG 150.A NH2 ASP 153.A OD2 no hydrogen 3.424 N/A THR 159.A N SER 156.A O no hydrogen 3.221 N/A THR 159.A OG1 GLY 143.A O no hydrogen 3.376 N/A THR 159.A OG1 SER 156.A O no hydrogen 3.307 N/A MET 160.A N CYS 144.A O no hydrogen 2.511 N/A VAL 161.A N CYS 144.A O no hydrogen 2.970 N/A LYS 162.A N ILE 116.A O no hydrogen 2.995 N/A LEU 163.A N GLY 146.A O no hydrogen 3.397 N/A MET 164.A N HIS 118.A O no hydrogen 2.882 N/A GLY 167.A N ASP 166.A OD1 no hydrogen 2.764 N/A ILE 168.A N THR 165.A O no hydrogen 3.416 N/A LEU 170.A N ASP 166.A O no hydrogen 3.341 N/A ALA 171.A N GLY 167.A O no hydrogen 3.262 N/A GLU 172.A N ILE 168.A O no hydrogen 3.078 N/A GLU 172.A N LEU 169.A O no hydrogen 3.158 N/A ILE 173.A N LEU 170.A O no hydrogen 3.103 N/A GLN 175.A N GLN 175.A OE1 no hydrogen 2.338 N/A GLN 175.A NE2 GLN 174.A OE1 no hydrogen 3.607 N/A ASP 176.A N GLU 172.A O no hydrogen 3.129 N/A ARG 177.A NH1 GLY 421.A O no hydrogen 2.431 N/A ARG 177.A NH2 GLY 421.A O no hydrogen 3.539 N/A LEU 179.A N ASP 176.A O no hydrogen 3.271 N/A MET 180.A N ASP 176.A OD1 no hydrogen 3.310 N/A MET 180.A N ASP 176.A OD2 no hydrogen 3.174 N/A TYR 182.A OH GLU 172.A OE1 no hydrogen 2.513 N/A ASP 183.A N LEU 115.A O no hydrogen 2.993 N/A THR 184.A N LEU 115.A O no hydrogen 3.445 N/A THR 184.A OG1 ASP 183.A OD1 no hydrogen 3.518 N/A ILE 185.A N LYS 215.A O no hydrogen 2.959 N/A ILE 186.A N GLY 117.A O no hydrogen 2.591 N/A ILE 187.A N ILE 217.A O no hydrogen 2.888 N/A ASP 188.A N THR 119.A O no hydrogen 3.015 N/A ALA 190.A N THR 219.A O no hydrogen 3.370 N/A GLU 192.A N GLU 189.A O no hydrogen 3.152 N/A ARG 193.A N ALA 190.A O no hydrogen 3.189 N/A ARG 193.A NE ASP 198.A OD1 no hydrogen 3.211 N/A ARG 193.A NH2 ASP 198.A OD1 no hydrogen 2.824 N/A ARG 193.A NH2 ASP 198.A OD2 no hydrogen 3.119 N/A LEU 195.A N GLU 404.A OE1 no hydrogen 2.831 N/A ASP 198.A N SER 194.A O no hydrogen 2.732 N/A PHE 199.A N LEU 195.A O no hydrogen 2.501 N/A LEU 200.A N ASN 196.A O no hydrogen 2.946 N/A LEU 201.A N ILE 197.A O no hydrogen 3.092 N/A GLY 202.A N ASP 198.A O no hydrogen 3.307 N/A TYR 203.A N PHE 199.A O no hydrogen 3.088 N/A TYR 203.A OH ARG 177.A O no hydrogen 2.140 N/A LEU 204.A N LEU 200.A O no hydrogen 3.108 N/A LYS 205.A N LEU 201.A O no hydrogen 3.255 N/A LYS 205.A NZ HIS 231.A O no hydrogen 3.345 N/A GLU 206.A N GLY 202.A O no hydrogen 3.026 N/A LEU 207.A N TYR 203.A O no hydrogen 2.784 N/A ARG 211.A N LEU 208.A O no hydrogen 3.082 N/A ARG 211.A NE ASP 213.A OD1 no hydrogen 2.762 N/A ARG 211.A NH1 LEU 178.A O no hydrogen 3.107 N/A ARG 211.A NH2 TYR 182.A O no hydrogen 3.404 N/A ARG 211.A NH2 ASP 213.A OD1 no hydrogen 3.180 N/A ARG 211.A NH2 ASP 213.A OD2 no hydrogen 3.200 N/A ASP 213.A N ASP 213.A OD1 no hydrogen 2.527 N/A LYS 215.A N ASP 183.A O no hydrogen 3.003 N/A LYS 215.A NZ ILE 81.A O no hydrogen 3.515 N/A ILE 216.A N GLN 85.A O no hydrogen 2.694 N/A ILE 217.A N ILE 185.A O no hydrogen 2.888 N/A ILE 218.A N VAL 87.A O no hydrogen 3.131 N/A THR 219.A N ILE 187.A O no hydrogen 2.809 N/A SER 220.A N VAL 89.A O no hydrogen 3.324 N/A SER 220.A OG ALA 221.A O no hydrogen 3.155 N/A ALA 221.A N HIS 191.A ND1 no hydrogen 2.913 N/A SER 229.A N PRO 225.A O no hydrogen 3.099 N/A SER 229.A OG ALA 235.A O no hydrogen 2.309 N/A ARG 230.A N GLU 226.A O no hydrogen 2.715 N/A HIS 231.A N ARG 227.A O no hydrogen 2.955 N/A HIS 231.A NE2 PRO 429.A O no hydrogen 2.645 N/A PHE 232.A N PHE 228.A O no hydrogen 3.490 N/A ASN 234.A N PHE 232.A O no hydrogen 2.455 N/A ALA 235.A N SER 229.A O no hydrogen 3.062 N/A ILE 238.A N ILE 88.A O no hydrogen 2.815 N/A VAL 240.A N ALA 90.A O no hydrogen 3.234 N/A ARG 243.A NH1 SER 241.A O no hydrogen 3.406 N/A GLU 248.A N GLY 383.A O no hydrogen 2.826 N/A ARG 250.A N CYS 385.A O no hydrogen 2.926 N/A ARG 252.A N ARG 387.A O no hydrogen 2.839 N/A ARG 252.A NE TYR 251.A O no hydrogen 3.309 N/A GLN 260.A NE2 ASP 257.A OD2 no hydrogen 3.146 N/A ILE 262.A N LEU 259.A O no hydrogen 3.048 N/A PHE 263.A N LEU 259.A O no hydrogen 3.301 N/A ASP 264.A N GLN 260.A O no hydrogen 2.965 N/A ALA 265.A N ALA 261.A O no hydrogen 2.733 N/A VAL 266.A N ILE 262.A O no hydrogen 2.997 N/A ASP 267.A N PHE 263.A O no hydrogen 3.078 N/A GLU 268.A N ASP 264.A O no hydrogen 3.103 N/A LEU 269.A N ALA 265.A O no hydrogen 3.101 N/A SER 270.A N VAL 266.A O no hydrogen 3.026 N/A SER 270.A OG VAL 266.A O no hydrogen 3.076 N/A GLN 271.A N ASP 267.A O no hydrogen 3.318 N/A GLU 272.A N LEU 269.A O no hydrogen 3.222 N/A SER 273.A N LEU 269.A O no hydrogen 3.245 N/A GLY 275.A N SER 273.A OG no hydrogen 3.204 N/A LEU 278.A N TYR 339.A O no hydrogen 2.936 N/A ILE 279.A N VAL 329.A O no hydrogen 2.847 N/A PHE 280.A N ILE 341.A O no hydrogen 3.139 N/A MET 281.A N ALA 331.A O no hydrogen 2.800 N/A ARG 285.A N ASP 568.A OD1 no hydrogen 3.338 N/A ARG 285.A NE GLN 567.A OE1 no hydrogen 2.589 N/A ARG 288.A N GLU 284.A O no hydrogen 3.418 N/A ALA 289.A N ARG 285.A O no hydrogen 3.384 N/A THR 290.A N GLU 286.A O no hydrogen 3.077 N/A THR 290.A OG1 GLU 286.A O no hydrogen 3.055 N/A THR 290.A OG1 ILE 287.A O no hydrogen 2.669 N/A ALA 291.A N ILE 287.A O no hydrogen 2.783 N/A ASP 292.A N ARG 288.A O no hydrogen 2.906 N/A ALA 293.A N ALA 289.A O no hydrogen 3.155 N/A LEU 294.A N THR 290.A O no hydrogen 2.945 N/A ASN 295.A N ALA 291.A O no hydrogen 3.030 N/A ASN 295.A ND2 ALA 291.A O no hydrogen 2.285 N/A LYS 296.A N ASP 292.A O no hydrogen 2.908 N/A LEU 297.A N ALA 293.A O no hydrogen 3.053 N/A ASN 298.A N ASN 295.A O no hydrogen 3.225 N/A LEU 305.A N ILE 328.A O no hydrogen 2.551 N/A LEU 307.A N LEU 330.A O no hydrogen 3.466 N/A GLN 316.A N SER 312.A O no hydrogen 2.838 N/A GLN 316.A NE2 TYR 308.A O no hydrogen 2.829 N/A ASN 317.A N ASN 313.A O no hydrogen 3.193 N/A ARG 318.A N GLU 315.A O no hydrogen 3.163 N/A VAL 319.A N GLN 316.A O no hydrogen 3.258 N/A PHE 320.A N ASN 317.A O no hydrogen 3.235 N/A GLN 321.A N ARG 318.A O no hydrogen 3.204 N/A SER 324.A N SER 322.A O no hydrogen 2.310 N/A SER 324.A OG HIS 323.A O no hydrogen 2.509 N/A ARG 327.A N ASP 276.A OD1 no hydrogen 2.696 N/A ARG 327.A NH1 HIS 323.A ND1 no hydrogen 3.011 N/A ARG 327.A NH2 ARG 318.A O no hydrogen 2.589 N/A ILE 328.A N GLU 303.A O no hydrogen 2.547 N/A VAL 329.A N ILE 277.A O no hydrogen 3.098 N/A LEU 330.A N LEU 305.A O no hydrogen 2.896 N/A ALA 331.A N ILE 279.A O no hydrogen 3.015 N/A LYS 338.A N ASP 276.A O no hydrogen 2.886 N/A LYS 338.A NZ TYR 339.A OH no hydrogen 3.405 N/A TYR 339.A N ASP 276.A O no hydrogen 3.131 N/A VAL 340.A N ILE 384.A O no hydrogen 3.112 N/A ILE 341.A N LEU 278.A O no hydrogen 3.026 N/A ASP 342.A N ILE 386.A O no hydrogen 2.779 N/A GLY 344.A N ASP 342.A OD1 no hydrogen 2.866 N/A ALA 346.A N GLU 363.A O no hydrogen 3.215 N/A ILE 348.A N PRO 361.A O no hydrogen 3.068 N/A ARG 350.A N ARG 359.A O no hydrogen 3.198 N/A ARG 350.A NE GLU 363.A OE1 no hydrogen 2.910 N/A ARG 350.A NH1 ASP 402.A OD2 no hydrogen 3.049 N/A ARG 350.A NH2 ASP 402.A OD2 no hydrogen 3.287 N/A SER 352.A N VAL 357.A O no hydrogen 2.582 N/A SER 352.A OG THR 355.A OG1 no hydrogen 2.900 N/A TYR 353.A OH LEU 406.A O no hydrogen 3.292 N/A THR 355.A OG1 SER 352.A OG no hydrogen 2.900 N/A LYS 356.A NZ TYR 353.A O no hydrogen 3.375 N/A GLN 358.A NE2 SER 349.A OG no hydrogen 2.595 N/A GLN 358.A NE2 ARG 407.A O no hydrogen 3.158 N/A ARG 359.A N ARG 350.A O no hydrogen 2.997 N/A LEU 360.A N SER 498.A O no hydrogen 2.925 N/A GLU 363.A N ALA 346.A O no hydrogen 2.875 N/A ILE 365.A N GLY 344.A O no hydrogen 2.826 N/A SER 366.A OG SER 369.A OG no hydrogen 3.190 N/A SER 366.A OG THR 401.A OG1 no hydrogen 3.115 N/A GLN 367.A N PRO 398.A O no hydrogen 2.817 N/A GLN 367.A NE2 PHE 394.A O no hydrogen 3.110 N/A ALA 368.A N GLU 399.A O no hydrogen 2.926 N/A SER 369.A N SER 366.A OG no hydrogen 3.190 N/A SER 369.A OG SER 366.A O no hydrogen 2.880 N/A SER 369.A OG SER 366.A OG no hydrogen 3.190 N/A ALA 370.A N SER 366.A O no hydrogen 3.134 N/A ASN 371.A N GLN 367.A O no hydrogen 2.807 N/A GLN 372.A N ALA 368.A O no hydrogen 3.200 N/A GLN 372.A N SER 369.A O no hydrogen 3.037 N/A ARG 373.A N SER 369.A O no hydrogen 2.984 N/A ARG 373.A NH1 ASP 342.A OD1 no hydrogen 2.517 N/A ARG 373.A NH2 ASN 333.A OD1 no hydrogen 3.186 N/A ARG 373.A NH2 THR 345.A O no hydrogen 3.258 N/A LYS 374.A N ALA 370.A O no hydrogen 2.938 N/A GLY 375.A N ASN 371.A O no hydrogen 3.098 N/A ARG 376.A N ARG 373.A O no hydrogen 3.491 N/A ARG 376.A NE ALA 335.A O no hydrogen 2.950 N/A ARG 376.A NH2 ALA 335.A O no hydrogen 2.361 N/A CYS 377.A N LYS 374.A O no hydrogen 3.176 N/A CYS 377.A SG LYS 338.A O no hydrogen 3.580 N/A CYS 377.A SG LYS 374.A O no hydrogen 3.934 N/A CYS 377.A SG ILE 384.A O no hydrogen 3.489 N/A GLY 378.A N ARG 376.A O no hydrogen 3.004 N/A ILE 384.A N LYS 338.A O no hydrogen 3.243 N/A CYS 385.A N GLU 248.A O no hydrogen 2.654 N/A ILE 386.A N VAL 340.A O no hydrogen 2.802 N/A ARG 387.A N ARG 250.A O no hydrogen 2.914 N/A ARG 387.A NH2 ALA 370.A O no hydrogen 3.392 N/A ARG 387.A NH2 ASN 371.A OD1 no hydrogen 3.408 N/A LEU 388.A N ASP 342.A O no hydrogen 2.771 N/A TYR 389.A OH ASP 342.A OD2 no hydrogen 3.208 N/A PHE 394.A N SER 390.A O no hydrogen 3.454 N/A LEU 395.A N GLU 391.A O no hydrogen 3.330 N/A SER 396.A N ASP 392.A O no hydrogen 2.632 N/A SER 396.A OG ASP 392.A O no hydrogen 3.100 N/A SER 396.A OG ASP 393.A O no hydrogen 2.810 N/A ARG 397.A N PHE 394.A O no hydrogen 3.021 N/A ARG 397.A NE ASP 393.A O no hydrogen 3.249 N/A ARG 397.A NE ASP 393.A OD1 no hydrogen 2.691 N/A ARG 397.A NH1 GLY 344.A O no hydrogen 2.919 N/A ARG 397.A NH1 ILE 365.A O no hydrogen 2.875 N/A ARG 397.A NH2 GLY 344.A O no hydrogen 3.465 N/A ARG 397.A NH2 ASP 393.A OD1 no hydrogen 3.005 N/A THR 401.A OG1 SER 366.A OG no hydrogen 3.115 N/A GLU 404.A N ARG 193.A O no hydrogen 2.937 N/A LEU 406.A N PRO 403.A O no hydrogen 3.108 N/A ARG 407.A N GLU 404.A O no hydrogen 3.081 N/A ARG 407.A NE SER 349.A O no hydrogen 3.032 N/A THR 408.A OG1 GLU 404.A O no hydrogen 2.363 N/A ASN 409.A N GLN 358.A OE1 no hydrogen 2.651 N/A ASN 409.A ND2 ASP 471.A OD1 no hydrogen 3.546 N/A ALA 411.A N ASN 409.A OD1 no hydrogen 3.181 N/A VAL 413.A N ASN 409.A O no hydrogen 2.967 N/A ILE 414.A N LEU 410.A O no hydrogen 2.862 N/A LEU 415.A N ALA 411.A O no hydrogen 2.953 N/A GLN 416.A N SER 412.A O no hydrogen 3.274 N/A GLN 416.A N VAL 413.A O no hydrogen 3.014 N/A MET 417.A N VAL 413.A O no hydrogen 3.027 N/A THR 418.A N ILE 414.A O no hydrogen 2.803 N/A THR 418.A OG1 ILE 414.A O no hydrogen 3.451 N/A ALA 419.A N LEU 415.A O no hydrogen 3.376 N/A LEU 420.A N GLN 416.A O no hydrogen 2.842 N/A GLY 421.A N THR 418.A O no hydrogen 3.252 N/A LEU 422.A N MET 417.A O no hydrogen 2.658 N/A ALA 427.A N ASP 424.A O no hydrogen 3.056 N/A PHE 428.A N ILE 425.A O no hydrogen 3.267 N/A PHE 430.A N PHE 428.A O no hydrogen 2.580 N/A ARG 437.A N ASP 435.A OD1 no hydrogen 3.370 N/A ASN 438.A N ASP 435.A O no hydrogen 3.417 N/A ILE 439.A N LYS 436.A O no hydrogen 3.127 N/A GLY 442.A N ASN 438.A O no hydrogen 2.916 N/A VAL 443.A N ILE 439.A O no hydrogen 3.182 N/A ARG 444.A N GLN 440.A O no hydrogen 3.062 N/A ARG 444.A NH1 GLN 440.A OE1 no hydrogen 3.191 N/A LEU 445.A N ASP 441.A O no hydrogen 3.246 N/A LEU 446.A N GLY 442.A O no hydrogen 3.064 N/A GLU 447.A N VAL 443.A O no hydrogen 2.813 N/A GLU 448.A N ARG 444.A O no hydrogen 2.728 N/A LEU 449.A N LEU 445.A O no hydrogen 2.750 N/A GLY 450.A N GLU 447.A O no hydrogen 3.102 N/A ALA 451.A N LEU 446.A O no hydrogen 2.722 N/A THR 453.A N LYS 457.A O no hydrogen 3.052 N/A THR 453.A OG1 ASP 455.A OD1 no hydrogen 3.305 N/A THR 459.A N ALA 451.A O no hydrogen 2.779 N/A THR 459.A OG1 GLY 450.A O no hydrogen 2.634 N/A ARG 463.A N THR 459.A O no hydrogen 3.062 N/A GLN 464.A N PRO 460.A O no hydrogen 3.264 N/A LEU 465.A N LEU 461.A O no hydrogen 2.868 N/A SER 466.A N GLY 462.A O no hydrogen 2.771 N/A GLN 467.A N GLN 464.A O no hydrogen 3.326 N/A GLN 467.A NE2 ARG 463.A O no hydrogen 3.630 N/A ARG 473.A N ASP 471.A OD2 no hydrogen 3.092 N/A ALA 475.A N ASP 471.A O no hydrogen 2.356 N/A ARG 476.A N PRO 472.A O no hydrogen 2.608 N/A ARG 476.A NH1 ARG 476.A O no hydrogen 2.744 N/A ARG 476.A NH2 GLU 480.A OE1 no hydrogen 3.015 N/A MET 477.A N ARG 473.A O no hydrogen 3.238 N/A VAL 478.A N LEU 474.A O no hydrogen 3.110 N/A LEU 479.A N ALA 475.A O no hydrogen 3.073 N/A GLU 480.A N ARG 476.A O no hydrogen 2.970 N/A ALA 481.A N MET 477.A O no hydrogen 3.227 N/A LYS 483.A N GLU 480.A O no hydrogen 2.783 N/A HIS 484.A N ALA 481.A O no hydrogen 3.090 N/A HIS 484.A NE2 GLU 480.A OE2 no hydrogen 3.064 N/A CYS 486.A N ALA 481.A O no hydrogen 3.432 N/A CYS 486.A SG GLU 593.A O no hydrogen 3.559 N/A ARG 488.A N ASN 585.A OD1 no hydrogen 3.236 N/A ARG 488.A NH1 ASN 535.A OD1 no hydrogen 3.265 N/A ARG 488.A NH2 ASN 535.A OD1 no hydrogen 2.444 N/A GLU 489.A N GLU 489.A OE1 no hydrogen 2.611 N/A ALA 490.A N CYS 486.A O no hydrogen 2.735 N/A MET 491.A N VAL 487.A O no hydrogen 2.992 N/A ILE 492.A N ARG 488.A O no hydrogen 2.925 N/A ILE 493.A N GLU 489.A O no hydrogen 3.307 N/A THR 494.A N ALA 490.A O no hydrogen 2.794 N/A THR 494.A OG1 ALA 490.A O no hydrogen 2.639 N/A SER 495.A N MET 491.A O no hydrogen 3.018 N/A SER 495.A OG MET 491.A O no hydrogen 2.295 N/A SER 495.A OG ILE 492.A O no hydrogen 3.007 N/A ALA 496.A N ILE 492.A O no hydrogen 2.917 N/A LEU 497.A N ILE 493.A O no hydrogen 2.803 N/A SER 498.A N SER 495.A O no hydrogen 2.689 N/A SER 498.A OG THR 494.A O no hydrogen 3.379 N/A ARG 503.A NE ASP 501.A OD1 no hydrogen 2.777 N/A ARG 503.A NH2 ASP 501.A OD1 no hydrogen 3.212 N/A ARG 503.A NH2 ASP 501.A OD2 no hydrogen 2.472 N/A GLU 504.A N TYR 557.A O no hydrogen 2.924 N/A ARG 505.A NE ASP 514.A OD1 no hydrogen 3.281 N/A ARG 505.A NE ASP 514.A OD2 no hydrogen 3.343 N/A ARG 505.A NH2 ASP 514.A OD2 no hydrogen 3.279 N/A SER 513.A OG GLU 504.A O no hydrogen 2.641 N/A ASP 514.A N GLN 510.A O no hydrogen 3.036 N/A GLU 515.A N GLN 511.A O no hydrogen 2.963 N/A LYS 516.A N ALA 512.A O no hydrogen 3.041 N/A HIS 517.A N SER 513.A O no hydrogen 3.116 N/A HIS 517.A NE2 GLU 504.A O no hydrogen 2.989 N/A ARG 518.A N ASP 514.A O no hydrogen 2.874 N/A ARG 519.A NE LYS 516.A O no hydrogen 2.912 N/A ARG 519.A NH2 ASP 556.A OD2 no hydrogen 3.378 N/A PHE 520.A N HIS 517.A O no hydrogen 3.392 N/A GLU 524.A N ASP 522.A OD2 no hydrogen 2.952 N/A SER 525.A OG HIS 595.A NE2 no hydrogen 2.769 N/A ASP 526.A N ALA 656.A O no hydrogen 2.706 N/A PHE 527.A N SER 525.A OG no hydrogen 3.093 N/A ASN 532.A N LEU 528.A O no hydrogen 3.150 N/A LEU 533.A N ALA 529.A O no hydrogen 3.048 N/A TRP 534.A N PHE 530.A O no hydrogen 2.940 N/A ASN 535.A N VAL 531.A O no hydrogen 3.016 N/A TYR 536.A N ASN 532.A O no hydrogen 3.058 N/A TYR 536.A OH ASP 556.A OD2 no hydrogen 3.360 N/A LEU 537.A N LEU 533.A O no hydrogen 2.698 N/A GLY 538.A N TRP 534.A O no hydrogen 3.232 N/A GLU 539.A N ASN 535.A O no hydrogen 3.195 N/A GLN 540.A N TYR 536.A O no hydrogen 3.100 N/A GLN 541.A N LEU 537.A O no hydrogen 2.837 N/A LYS 542.A N GLY 538.A O no hydrogen 3.089 N/A ALA 543.A N GLN 540.A O no hydrogen 3.255 N/A ALA 548.A N SER 545.A OG no hydrogen 2.825 N/A PHE 549.A N SER 545.A O no hydrogen 2.575 N/A ARG 550.A N SER 546.A O no hydrogen 2.908 N/A ARG 551.A N ASN 547.A O no hydrogen 2.939 N/A LEU 552.A N PHE 549.A O no hydrogen 2.657 N/A CYS 553.A N PHE 549.A O no hydrogen 3.273 N/A CYS 553.A SG PHE 549.A O no hydrogen 3.989 N/A ARG 554.A N ARG 551.A O no hydrogen 3.178 N/A ASP 556.A N LEU 552.A O no hydrogen 2.847 N/A LEU 558.A N CYS 553.A O no hydrogen 2.771 N/A ASN 559.A N PRO 502.A O no hydrogen 3.059 N/A ASN 559.A ND2 GLU 504.A OE2 no hydrogen 2.618 N/A ARG 562.A N ASN 559.A O no hydrogen 2.852 N/A ARG 562.A N ASN 559.A OD1 no hydrogen 2.652 N/A VAL 563.A N ASN 559.A O no hydrogen 2.769 N/A ARG 564.A N TYR 560.A O no hydrogen 3.027 N/A GLU 565.A N LEU 561.A O no hydrogen 3.405 N/A TRP 566.A N ARG 562.A O no hydrogen 2.844 N/A TRP 566.A NE1 ILE 492.A O no hydrogen 3.152 N/A GLN 567.A N VAL 563.A O no hydrogen 3.265 N/A ASP 568.A N ARG 564.A O no hydrogen 2.773 N/A ILE 569.A N GLU 565.A O no hydrogen 2.858 N/A TYR 570.A N TRP 566.A O no hydrogen 3.098 N/A THR 571.A N GLN 567.A O no hydrogen 3.121 N/A THR 571.A N ASP 568.A O no hydrogen 3.217 N/A THR 571.A OG1 GLN 567.A O no hydrogen 3.303 N/A GLN 572.A N ASP 568.A O no hydrogen 2.963 N/A LEU 573.A N ILE 569.A O no hydrogen 2.925 N/A ARG 574.A N TYR 570.A O no hydrogen 3.082 N/A GLN 575.A N THR 571.A O no hydrogen 2.933 N/A VAL 577.A N LEU 573.A O no hydrogen 2.809 N/A LYS 578.A N ARG 574.A O no hydrogen 3.073 N/A LYS 578.A NZ ILE 582.A O no hydrogen 3.222 N/A GLU 579.A N GLN 575.A O no hydrogen 2.977 N/A LEU 580.A N VAL 576.A O no hydrogen 2.822 N/A GLY 581.A N LYS 578.A O no hydrogen 2.983 N/A ILE 582.A N VAL 577.A O no hydrogen 2.926 N/A ASN 585.A ND2 GLU 489.A OE1 no hydrogen 3.509 N/A ASN 585.A ND2 GLU 587.A O no hydrogen 2.428 N/A ALA 589.A N GLU 489.A OE2 no hydrogen 2.811 N/A TYR 591.A OH GLU 524.A O no hydrogen 3.037 N/A TYR 591.A OH ARG 658.A O no hydrogen 2.740 N/A GLU 593.A N GLU 593.A OE1 no hydrogen 2.557 N/A ILE 594.A N GLU 590.A O no hydrogen 3.311 N/A HIS 595.A N TYR 591.A O no hydrogen 3.253 N/A HIS 595.A ND1 TYR 591.A O no hydrogen 2.684 N/A HIS 595.A NE2 SER 525.A OG no hydrogen 2.769 N/A ILE 596.A N ARG 592.A O no hydrogen 2.854 N/A LEU 598.A N ILE 594.A O no hydrogen 3.065 N/A LEU 599.A N ILE 596.A O no hydrogen 3.211 N/A THR 600.A OG1 ALA 597.A O no hydrogen 3.220 N/A GLY 601.A N LEU 598.A O no hydrogen 3.450 N/A LEU 602.A N LEU 598.A O no hydrogen 3.250 N/A LEU 602.A N LEU 599.A O no hydrogen 3.011 N/A SER 604.A N GLU 448.A OE2 no hydrogen 2.614 N/A GLY 607.A N VAL 640.A O no hydrogen 2.997 N/A MET 608.A N THR 617.A O no hydrogen 2.945 N/A LYS 609.A N LYS 638.A O no hydrogen 2.950 N/A LYS 609.A NZ PRO 636.A O no hydrogen 2.922 N/A ASP 610.A N GLU 615.A O no hydrogen 3.183 N/A LYS 613.A N ASP 610.A O no hydrogen 3.387 N/A TYR 616.A N PHE 624.A O no hydrogen 2.778 N/A TYR 616.A OH PRO 637.A O no hydrogen 2.467 N/A THR 617.A N MET 608.A O no hydrogen 2.856 N/A THR 617.A OG1 MET 608.A O no hydrogen 3.520 N/A THR 617.A OG1 ASP 610.A OD1 no hydrogen 3.146 N/A GLY 618.A N ALA 622.A O no hydrogen 2.575 N/A ARG 620.A N TYR 697.A O no hydrogen 3.259 N/A ALA 622.A N ALA 619.A O no hydrogen 3.084 N/A ARG 623.A NH1 ASP 610.A OD1 no hydrogen 3.339 N/A ARG 623.A NH1 ASP 610.A OD2 no hydrogen 2.868 N/A ARG 623.A NH2 ASP 610.A OD2 no hydrogen 2.966 N/A PHE 624.A N TYR 616.A O no hydrogen 3.090 N/A SER 625.A N LEU 651.A O no hydrogen 3.245 N/A SER 625.A OG GLN 614.A O no hydrogen 3.367 N/A PHE 627.A N GLY 653.A O no hydrogen 3.127 N/A SER 630.A N PHE 627.A O no hydrogen 3.294 N/A SER 630.A OG ASP 526.A OD2 no hydrogen 2.206 N/A GLY 631.A N ASP 526.A OD1 no hydrogen 3.078 N/A PHE 633.A N SER 630.A O no hydrogen 3.295 N/A VAL 640.A N GLY 607.A O no hydrogen 3.095 N/A MET 641.A N ALA 657.A O no hydrogen 2.951 N/A VAL 642.A N HIS 605.A O no hydrogen 3.143 N/A ALA 643.A N ILE 655.A O no hydrogen 2.614 N/A GLU 644.A N ARG 654.A O no hydrogen 3.242 N/A VAL 646.A N TRP 652.A O no hydrogen 2.992 N/A GLU 647.A N GLU 647.A OE1 no hydrogen 2.665 N/A THR 648.A N ARG 650.A O no hydrogen 2.914 N/A SER 649.A N THR 648.A OG1 no hydrogen 2.608 N/A TRP 652.A N VAL 646.A O no hydrogen 2.620 N/A GLY 653.A N SER 625.A O no hydrogen 2.830 N/A ARG 654.A N GLU 644.A O no hydrogen 2.951 N/A ALA 656.A N ASP 526.A OD2 no hydrogen 3.224 N/A ALA 657.A N MET 641.A O no hydrogen 2.939 N/A ARG 658.A N GLU 524.A O no hydrogen 3.100 N/A ILE 659.A N TRP 639.A O no hydrogen 3.072 N/A TRP 663.A N ASP 660.A O no hydrogen 3.159 N/A VAL 664.A N PRO 661.A O no hydrogen 3.113 N/A ALA 668.A N GLU 665.A O no hydrogen 3.034 N/A GLN 669.A NE2 GLU 665.A O no hydrogen 2.533 N/A HIS 670.A NE2 GLU 448.A O no hydrogen 2.778 N/A LEU 671.A N ALA 668.A O no hydrogen 2.629 N/A ILE 672.A N ALA 668.A O no hydrogen 2.630 N/A LYS 673.A N THR 695.A O no hydrogen 3.106 N/A THR 675.A N LYS 693.A O no hydrogen 2.912 N/A SER 677.A N THR 691.A O no hydrogen 3.094 N/A SER 677.A OG THR 691.A OG1 no hydrogen 3.428 N/A HIS 680.A N MET 689.A O no hydrogen 3.354 N/A GLU 682.A N ALA 687.A O no hydrogen 3.345 N/A GLY 686.A N GLU 682.A O no hydrogen 3.029 N/A VAL 688.A N SER 710.A OG no hydrogen 3.099 N/A MET 689.A N HIS 680.A O no hydrogen 2.760 N/A THR 691.A N SER 677.A O no hydrogen 3.024 N/A THR 691.A OG1 SER 677.A OG no hydrogen 3.428 N/A GLU 692.A N ARG 705.A O no hydrogen 2.562 N/A LYS 693.A N THR 675.A O no hydrogen 2.768 N/A VAL 694.A N VAL 702.A O no hydrogen 2.913 N/A THR 695.A N LYS 673.A O no hydrogen 2.985 N/A THR 695.A OG1 LYS 673.A O no hydrogen 3.509 N/A VAL 696.A N LEU 699.A O no hydrogen 3.001 N/A LEU 699.A N VAL 696.A O no hydrogen 2.841 N/A ILE 701.A N LEU 699.A O no hydrogen 2.757 N/A VAL 702.A N VAL 694.A O no hydrogen 3.297 N/A ARG 705.A N GLU 692.A O no hydrogen 3.232 N/A ARG 705.A NE GLU 692.A OE1 no hydrogen 3.201 N/A ARG 705.A NH1 GLU 665.A OE1 no hydrogen 2.673 N/A ARG 705.A NH1 GLU 665.A OE2 no hydrogen 3.067 N/A ARG 705.A NH2 GLU 692.A OE1 no hydrogen 2.461 N/A VAL 707.A N ALA 690.A O no hydrogen 2.816 N/A SER 710.A N VAL 688.A O no hydrogen 3.270 N/A GLN 711.A N ASN 708.A O no hydrogen 3.079 N/A GLN 711.A N ASN 708.A OD1 no hydrogen 3.285 N/A ILE 712.A N ASN 708.A O no hydrogen 3.250 N/A ILE 712.A N TYR 709.A O no hydrogen 3.146 N/A ASP 713.A N TYR 709.A O no hydrogen 2.812 N/A CYS 717.A SG ASP 713.A O no hydrogen 3.096 N/A ARG 718.A N PRO 714.A O no hydrogen 3.302 N/A GLU 719.A N ALA 715.A O no hydrogen 3.368 N/A LEU 720.A N LEU 716.A O no hydrogen 3.246 N/A LEU 720.A N CYS 717.A O no hydrogen 3.284 N/A PHE 721.A N ARG 718.A O no hydrogen 2.709 N/A ILE 722.A N ARG 718.A O no hydrogen 3.010 N/A