Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nek_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 434.A OE2 no hydrogen 2.816 N/A ARG 6.A N TYR 192.A O no hydrogen 3.131 N/A PHE 8.A N LYS 194.A O no hydrogen 3.130 N/A ASP 9.A N THR 32.A O no hydrogen 2.942 N/A VAL 11.A N ALA 197.A O no hydrogen 2.951 N/A VAL 12.A N ALA 34.A O no hydrogen 2.847 N/A ILE 13.A N VAL 199.A O no hydrogen 2.704 N/A GLY 14.A N LEU 36.A O no hydrogen 2.920 N/A GLY 17.A N THR 46.A OG1 no hydrogen 3.032 N/A MET 20.A N GLY 16.A O no hydrogen 3.316 N/A ARG 21.A N GLY 17.A O no hydrogen 3.369 N/A ARG 21.A NH2 GLN 25.A OE1 no hydrogen 3.415 N/A ARG 21.A NH2 GLU 98.A OE1 no hydrogen 3.340 N/A ALA 22.A N ALA 18.A O no hydrogen 3.059 N/A ALA 23.A N GLY 19.A O no hydrogen 3.099 N/A LEU 24.A N MET 20.A O no hydrogen 2.900 N/A GLN 25.A N ARG 21.A O no hydrogen 3.390 N/A GLN 25.A NE2 GLN 25.A O no hydrogen 3.172 N/A ILE 26.A N ALA 22.A O no hydrogen 2.783 N/A SER 27.A N ALA 23.A O no hydrogen 3.253 N/A SER 27.A N LEU 24.A O no hydrogen 3.081 N/A GLN 28.A N LEU 24.A O no hydrogen 2.984 N/A GLN 28.A NE2 ASN 156.A OD1 no hydrogen 3.047 N/A SER 29.A N GLN 25.A O no hydrogen 3.308 N/A SER 29.A OG GLN 25.A O no hydrogen 3.536 N/A GLY 30.A N SER 27.A O no hydrogen 3.090 N/A ALA 34.A N ALA 10.A O no hydrogen 3.055 N/A LEU 35.A N THR 159.A O no hydrogen 3.047 N/A LEU 36.A N VAL 12.A O no hydrogen 2.960 N/A SER 37.A N PHE 161.A O no hydrogen 3.294 N/A SER 37.A OG VAL 39.A O no hydrogen 2.514 N/A LYS 38.A NZ ILE 217.A O no hydrogen 3.141 N/A LYS 38.A NZ ASP 221.A OD2 no hydrogen 3.317 N/A LYS 38.A NZ GLU 515.A OE2 no hydrogen 2.741 N/A ARG 43.A N PHE 40.A O no hydrogen 2.682 N/A SER 44.A N PRO 41.A O no hydrogen 3.484 N/A SER 44.A OG ALA 15.A O no hydrogen 3.290 N/A SER 44.A OG PRO 41.A O no hydrogen 2.991 N/A VAL 47.A N SER 44.A O no hydrogen 3.099 N/A SER 48.A N HIS 45.A O no hydrogen 3.063 N/A SER 48.A OG HIS 45.A O no hydrogen 3.559 N/A ALA 49.A N THR 46.A O no hydrogen 2.991 N/A GLN 50.A NE2 LEU 252.A O no hydrogen 3.186 N/A ILE 53.A N ALA 135.A O no hydrogen 2.743 N/A THR 54.A N GLY 402.A O no hydrogen 2.866 N/A THR 54.A OG1 GLY 401.A O no hydrogen 3.483 N/A THR 54.A OG1 GLY 402.A O no hydrogen 2.860 N/A VAL 55.A N ARG 133.A O no hydrogen 2.866 N/A ASN 59.A ND2 GLY 121.A O no hydrogen 2.984 N/A THR 60.A OG1 ALA 132.A O no hydrogen 2.555 N/A HIS 61.A ND1 GLU 62.A O no hydrogen 2.625 N/A TRP 67.A N ASN 64.A O no hydrogen 3.193 N/A TRP 67.A N ASN 64.A OD1 no hydrogen 2.666 N/A MET 69.A N TRP 65.A O no hydrogen 2.937 N/A TYR 70.A N GLU 66.A O no hydrogen 2.900 N/A ASP 71.A N TRP 67.A O no hydrogen 3.000 N/A THR 72.A N HIS 68.A O no hydrogen 3.093 N/A THR 72.A OG1 HIS 68.A O no hydrogen 2.547 N/A THR 72.A OG1 MET 69.A O no hydrogen 2.558 N/A VAL 73.A N MET 69.A O no hydrogen 2.565 N/A LYS 74.A N TYR 70.A O no hydrogen 3.154 N/A LYS 74.A NZ THR 587.A O no hydrogen 2.727 N/A SER 76.A N VAL 73.A O no hydrogen 2.839 N/A SER 76.A OG VAL 73.A O no hydrogen 2.683 N/A ASP 77.A N VAL 73.A O no hydrogen 2.940 N/A TYR 78.A N VAL 73.A O no hydrogen 3.227 N/A ASP 81.A N SER 393.A O no hydrogen 2.830 N/A ALA 84.A N ASP 83.A OD1 no hydrogen 2.613 N/A ILE 85.A N ASP 81.A O no hydrogen 3.031 N/A GLU 86.A N GLN 82.A O no hydrogen 2.866 N/A TYR 87.A N ASP 83.A O no hydrogen 3.208 N/A MET 88.A N ALA 84.A O no hydrogen 2.940 N/A CYS 89.A N ILE 85.A O no hydrogen 2.852 N/A CYS 89.A SG HIS 68.A ND1 no hydrogen 3.070 N/A CYS 89.A SG ILE 85.A O no hydrogen 3.533 N/A LYS 90.A N GLU 86.A O no hydrogen 2.827 N/A THR 91.A N TYR 87.A O no hydrogen 2.902 N/A THR 91.A OG1 TYR 87.A O no hydrogen 2.927 N/A GLY 92.A N CYS 89.A O no hydrogen 3.105 N/A ALA 95.A N THR 91.A O no hydrogen 3.419 N/A ILE 96.A N GLY 92.A O no hydrogen 3.104 N/A ILE 96.A N PRO 93.A O no hydrogen 2.775 N/A LEU 97.A N PRO 93.A O no hydrogen 2.910 N/A GLU 98.A N GLU 94.A O no hydrogen 3.192 N/A GLU 100.A N ILE 96.A O no hydrogen 3.215 N/A HIS 101.A N LEU 97.A O no hydrogen 2.968 N/A MET 102.A N LEU 99.A O no hydrogen 3.108 N/A GLY 103.A N GLU 100.A O no hydrogen 2.814 N/A LEU 104.A N LEU 99.A O no hydrogen 3.239 N/A PHE 106.A N LEU 104.A O no hydrogen 2.689 N/A SER 107.A N ALA 136.A O no hydrogen 3.277 N/A SER 107.A OG ALA 136.A O no hydrogen 3.347 N/A ARG 108.A NH1 PHE 119.A O no hydrogen 2.717 N/A ARG 108.A NH2 GLU 100.A OE2 no hydrogen 2.651 N/A TYR 115.A N GLY 112.A O no hydrogen 3.404 N/A ARG 117.A N ASP 110.A O no hydrogen 3.063 N/A GLY 120.A N PRO 118.A O no hydrogen 2.610 N/A GLN 122.A N SER 107.A O no hydrogen 3.001 N/A LYS 124.A N THR 134.A O no hydrogen 2.435 N/A ASN 125.A ND2 GLY 259.A O no hydrogen 3.694 N/A ARG 133.A N GLU 129.A OE2 no hydrogen 2.726 N/A ARG 133.A NH1 ASP 63.A OD2 no hydrogen 2.435 N/A ARG 133.A NH2 ASP 63.A OD1 no hydrogen 3.414 N/A ARG 133.A NH2 ASP 63.A OD2 no hydrogen 2.476 N/A THR 134.A N LYS 124.A O no hydrogen 3.137 N/A THR 134.A OG1 LYS 124.A O no hydrogen 2.877 N/A THR 134.A OG1 GLU 129.A OE1 no hydrogen 3.026 N/A THR 134.A OG1 GLU 129.A OE2 no hydrogen 3.388 N/A ALA 135.A N ILE 53.A O no hydrogen 2.676 N/A ALA 136.A N GLN 122.A O no hydrogen 2.827 N/A ALA 137.A N THR 141.A OG1 no hydrogen 3.037 N/A ALA 138.A N SER 107.A OG no hydrogen 3.279 N/A THR 141.A OG1 GLN 50.A O no hydrogen 3.302 N/A GLY 142.A N ALA 49.A O no hydrogen 3.054 N/A ALA 144.A N ARG 140.A O no hydrogen 3.028 N/A LEU 145.A N THR 141.A O no hydrogen 2.949 N/A LEU 146.A N GLY 142.A O no hydrogen 2.572 N/A HIS 147.A N HIS 143.A O no hydrogen 3.129 N/A THR 148.A N ALA 144.A O no hydrogen 3.009 N/A THR 148.A OG1 ALA 144.A O no hydrogen 2.921 N/A LEU 149.A N LEU 145.A O no hydrogen 3.192 N/A TYR 150.A N LEU 146.A O no hydrogen 3.009 N/A GLN 151.A N HIS 147.A O no hydrogen 2.821 N/A GLN 152.A N THR 148.A O no hydrogen 2.876 N/A GLN 152.A NE2 MET 102.A O no hydrogen 3.576 N/A ASN 153.A N LEU 149.A O no hydrogen 3.096 N/A ASN 153.A ND2 THR 158.A OG1 no hydrogen 2.696 N/A LEU 154.A N TYR 150.A O no hydrogen 3.009 N/A LEU 154.A N GLN 151.A O no hydrogen 3.241 N/A LYS 155.A N GLN 151.A O no hydrogen 3.117 N/A ASN 156.A N GLN 152.A O no hydrogen 2.935 N/A ASN 156.A ND2 GLN 152.A O no hydrogen 2.781 N/A ASN 156.A ND2 GLN 152.A OE1 no hydrogen 3.505 N/A HIS 157.A N LEU 154.A O no hydrogen 3.432 N/A THR 158.A N ASN 153.A O no hydrogen 3.035 N/A PHE 161.A N LEU 35.A O no hydrogen 2.776 N/A TRP 164.A N SER 37.A O no hydrogen 2.509 N/A TYR 165.A N LEU 183.A O no hydrogen 2.634 N/A TYR 165.A OH ASP 221.A OD1 no hydrogen 2.378 N/A LEU 167.A N THR 181.A O no hydrogen 2.861 N/A VAL 170.A N GLY 179.A O no hydrogen 3.461 N/A ASN 172.A N ALA 176.A O no hydrogen 2.506 N/A GLY 175.A N ASN 172.A O no hydrogen 2.415 N/A VAL 177.A N PRO 381.A O no hydrogen 2.615 N/A VAL 178.A N VAL 170.A O no hydrogen 2.951 N/A GLY 179.A N THR 198.A OG1 no hydrogen 2.898 N/A CYS 180.A N PHE 193.A O no hydrogen 2.695 N/A CYS 180.A SG THR 181.A O no hydrogen 3.525 N/A THR 181.A N ASP 168.A O no hydrogen 3.359 N/A THR 181.A OG1 ASP 168.A O no hydrogen 3.552 N/A ALA 182.A N VAL 191.A O no hydrogen 2.889 N/A LEU 183.A N TYR 165.A O no hydrogen 2.529 N/A CYS 184.A N GLU 189.A O no hydrogen 2.905 N/A CYS 184.A SG THR 187.A OG1 no hydrogen 3.172 N/A ILE 185.A N GLU 163.A O no hydrogen 3.283 N/A GLY 188.A N CYS 184.A O no hydrogen 2.534 N/A GLU 189.A N THR 187.A OG1 no hydrogen 3.345 N/A VAL 191.A N ALA 182.A O no hydrogen 2.918 N/A TYR 192.A N PRO 4.A O no hydrogen 3.184 N/A TYR 192.A OH VAL 178.A O no hydrogen 2.772 N/A PHE 193.A N CYS 180.A O no hydrogen 2.628 N/A LYS 194.A N ARG 6.A O no hydrogen 3.087 N/A THR 198.A N GLY 382.A O no hydrogen 2.764 N/A THR 198.A OG1 GLY 382.A O no hydrogen 3.465 N/A VAL 199.A N VAL 11.A O no hydrogen 2.659 N/A LEU 200.A N PHE 384.A O no hydrogen 2.850 N/A ALA 201.A N ILE 13.A O no hydrogen 2.888 N/A GLY 206.A N ASN 214.A OD1 no hydrogen 2.838 N/A ARG 207.A N ASN 218.A O no hydrogen 3.415 N/A GLN 210.A N GLN 468.A OE1 no hydrogen 2.627 N/A SER 211.A N GLN 468.A OE1 no hydrogen 3.390 N/A THR 212.A OG1 CYS 353.A O no hydrogen 3.416 N/A THR 213.A N CYS 353.A O no hydrogen 3.083 N/A THR 213.A OG1 CYS 353.A O no hydrogen 3.410 N/A THR 213.A OG1 HIS 354.A ND1 no hydrogen 3.339 N/A ASN 214.A N THR 212.A OG1 no hydrogen 3.247 N/A ASN 214.A ND2 THR 213.A OG1 no hydrogen 3.183 N/A ASN 214.A ND2 HIS 354.A O no hydrogen 3.170 N/A THR 219.A OG1 ILE 217.A O no hydrogen 3.487 N/A THR 219.A OG1 ASP 221.A OD1 no hydrogen 3.319 N/A THR 219.A OG1 ASP 221.A OD2 no hydrogen 3.112 N/A THR 219.A OG1 GLU 515.A OE1 no hydrogen 3.255 N/A GLY 224.A N GLY 220.A O no hydrogen 2.982 N/A MET 225.A N ASP 221.A O no hydrogen 2.954 N/A ALA 226.A N GLY 222.A O no hydrogen 3.025 N/A ILE 227.A N VAL 223.A O no hydrogen 3.219 N/A ARG 228.A N GLY 224.A O no hydrogen 3.057 N/A ARG 228.A NH1 GLU 564.A OE1 no hydrogen 2.861 N/A ALA 229.A N ALA 226.A O no hydrogen 3.278 N/A GLY 230.A N ALA 226.A O no hydrogen 3.000 N/A GLY 230.A N ILE 227.A O no hydrogen 3.031 N/A VAL 231.A N ALA 226.A O no hydrogen 2.684 N/A VAL 233.A N TYR 559.A O no hydrogen 3.373 N/A GLN 234.A N GLY 359.A O no hydrogen 3.272 N/A GLN 234.A NE2 SER 393.A OG no hydrogen 3.379 N/A ASP 235.A N SER 557.A O no hydrogen 2.843 N/A MET 238.A N ASP 235.A O no hydrogen 3.296 N/A GLN 240.A N TYR 355.A O no hydrogen 2.855 N/A GLN 240.A NE2 ARG 399.A O no hydrogen 2.552 N/A HIS 242.A N THR 352.A O no hydrogen 2.614 N/A THR 244.A OG1 HIS 242.A NE2 no hydrogen 3.186 N/A THR 244.A OG1 VAL 253.A O no hydrogen 2.658 N/A ILE 246.A N VAL 251.A O no hydrogen 3.021 N/A ALA 247.A N PRO 348.A O no hydrogen 2.774 N/A ALA 249.A N ILE 246.A O no hydrogen 2.863 N/A GLY 250.A N ILE 246.A O no hydrogen 2.751 N/A THR 254.A N GLN 50.A OE1 no hydrogen 2.938 N/A GLY 256.A N THR 254.A OG1 no hydrogen 2.940 N/A CYS 257.A N THR 254.A O no hydrogen 3.182 N/A CYS 257.A SG THR 254.A O no hydrogen 3.446 N/A ARG 258.A NH2 THR 244.A OG1 no hydrogen 3.109 N/A GLY 259.A N GLU 255.A O no hydrogen 3.071 N/A GLU 260.A N GLY 256.A O no hydrogen 2.569 N/A GLU 260.A N CYS 257.A O no hydrogen 3.086 N/A GLY 261.A N ARG 258.A O no hydrogen 2.927 N/A GLY 262.A N ARG 258.A O no hydrogen 3.348 N/A TYR 263.A N LYS 314.A O no hydrogen 2.821 N/A LEU 264.A N ASP 282.A OD2 no hydrogen 3.143 N/A LEU 265.A N LYS 312.A O no hydrogen 2.916 N/A ASN 266.A N GLU 270.A O no hydrogen 3.139 N/A GLY 269.A N ASN 266.A O no hydrogen 2.990 N/A GLU 270.A N ASN 266.A OD1 no hydrogen 2.715 N/A GLU 274.A N ARG 271.A O no hydrogen 2.892 N/A ARG 275.A NH1 GLU 270.A OE2 no hydrogen 2.883 N/A ARG 275.A NH2 GLU 296.A OE2 no hydrogen 3.556 N/A TYR 276.A N PHE 272.A O no hydrogen 2.991 N/A ALA 277.A N MET 273.A O no hydrogen 3.096 N/A ALA 280.A N ALA 277.A O no hydrogen 2.876 N/A LYS 281.A N ALA 277.A O no hydrogen 3.152 N/A LEU 283.A N ALA 280.A O no hydrogen 3.390 N/A ALA 284.A N LYS 281.A O no hydrogen 2.920 N/A ARG 286.A NE HIS 242.A ND1 no hydrogen 3.238 N/A ARG 286.A NH1 GLU 255.A OE2 no hydrogen 2.675 N/A VAL 289.A N GLY 285.A O no hydrogen 3.176 N/A ALA 290.A N ARG 286.A O no hydrogen 3.303 N/A SER 292.A N VAL 288.A O no hydrogen 3.404 N/A SER 292.A OG VAL 288.A O no hydrogen 3.012 N/A MET 294.A N ALA 290.A O no hydrogen 3.050 N/A ILE 295.A N ARG 291.A O no hydrogen 2.742 N/A GLU 296.A N SER 292.A O no hydrogen 3.382 N/A ILE 297.A N MET 294.A O no hydrogen 3.269 N/A ARG 298.A N ILE 295.A O no hydrogen 2.649 N/A GLU 299.A N ILE 295.A O no hydrogen 3.193 N/A GLY 300.A N ILE 297.A O no hydrogen 3.307 N/A CYS 303.A SG HIS 310.A O no hydrogen 3.672 N/A TRP 307.A NE1 ALA 338.A O no hydrogen 2.948 N/A HIS 310.A N CYS 303.A O no hydrogen 2.876 N/A HIS 310.A ND1 GLY 308.A O no hydrogen 2.594 N/A ALA 311.A N VAL 349.A O no hydrogen 3.039 N/A LYS 312.A N LEU 265.A O no hydrogen 3.281 N/A LYS 312.A NZ GLU 345.A OE2 no hydrogen 3.397 N/A LEU 313.A N ILE 347.A O no hydrogen 3.084 N/A HIS 317.A NE2 GLY 261.A O no hydrogen 2.669 N/A LEU 318.A N LEU 315.A O no hydrogen 2.740 N/A LEU 323.A N GLY 319.A O no hydrogen 3.108 N/A GLU 324.A N LYS 320.A O no hydrogen 3.091 N/A GLU 324.A N GLU 321.A O no hydrogen 2.737 N/A SER 325.A N GLU 321.A O no hydrogen 2.756 N/A ARG 326.A N VAL 322.A O no hydrogen 2.795 N/A LEU 327.A N LEU 323.A O no hydrogen 2.931 N/A ILE 330.A N LEU 327.A O no hydrogen 3.077 N/A LEU 331.A N LEU 327.A O no hydrogen 3.187 N/A LEU 333.A N GLY 329.A O no hydrogen 3.416 N/A SER 334.A N ILE 330.A O no hydrogen 3.174 N/A SER 334.A OG VAL 340.A O no hydrogen 2.509 N/A ARG 335.A NH1 GLU 332.A OE1 no hydrogen 3.057 N/A ARG 335.A NH2 ASP 341.A OD1 no hydrogen 2.961 N/A THR 336.A N GLU 332.A O no hydrogen 2.649 N/A THR 336.A OG1 GLU 332.A O no hydrogen 2.579 N/A PHE 337.A N LEU 333.A O no hydrogen 2.860 N/A HIS 339.A N ARG 335.A O no hydrogen 3.164 N/A VAL 340.A N SER 334.A O no hydrogen 3.456 N/A VAL 343.A N ASP 341.A OD1 no hydrogen 3.011 N/A LYS 344.A N ASP 341.A O no hydrogen 2.908 N/A GLU 345.A N ASP 341.A O no hydrogen 2.986 N/A ILE 347.A N LEU 313.A O no hydrogen 2.979 N/A VAL 349.A N ALA 311.A O no hydrogen 3.097 N/A ILE 350.A N GLY 245.A O no hydrogen 2.674 N/A THR 352.A N HIS 242.A O no hydrogen 2.781 N/A THR 352.A OG1 SER 211.A O no hydrogen 2.756 N/A HIS 354.A ND1 THR 213.A OG1 no hydrogen 3.339 N/A MET 356.A N GLU 388.A OE2 no hydrogen 2.719 N/A GLY 359.A N GLN 234.A O no hydrogen 3.267 N/A ILE 360.A N ILE 389.A O no hydrogen 3.072 N/A THR 362.A N CYS 391.A O no hydrogen 3.215 N/A LYS 363.A N GLN 367.A O no hydrogen 3.136 N/A GLY 366.A N LYS 363.A O no hydrogen 3.000 N/A GLN 367.A NE2 THR 365.A OG1 no hydrogen 2.588 N/A ALA 368.A N LEU 383.A O no hydrogen 3.060 N/A LEU 369.A N PRO 361.A O no hydrogen 3.087 N/A THR 370.A N VAL 378.A O no hydrogen 2.821 N/A THR 370.A OG1 VAL 378.A O no hydrogen 3.119 N/A VAL 378.A N THR 370.A O no hydrogen 2.487 N/A VAL 380.A N ALA 368.A O no hydrogen 2.667 N/A GLY 382.A N GLN 426.A OE1 no hydrogen 3.199 N/A LEU 383.A N VAL 380.A O no hydrogen 3.121 N/A PHE 384.A N THR 198.A O no hydrogen 3.071 N/A ALA 385.A N GLY 366.A O no hydrogen 2.755 N/A VAL 386.A N LEU 200.A O no hydrogen 3.021 N/A CYS 391.A N ILE 360.A O no hydrogen 2.810 N/A CYS 391.A SG GLN 234.A O no hydrogen 3.982 N/A CYS 391.A SG ASP 235.A OD2 no hydrogen 3.708 N/A CYS 391.A SG MET 357.A O no hydrogen 3.711 N/A ALA 397.A N SER 76.A O no hydrogen 3.338 N/A ASN 398.A N HIS 395.A O no hydrogen 3.118 N/A ASN 403.A N LEU 400.A O no hydrogen 3.171 N/A ASN 403.A ND2 HIS 68.A NE2 no hydrogen 3.266 N/A ASP 407.A N ASN 403.A O no hydrogen 2.739 N/A LEU 408.A N SER 404.A O no hydrogen 2.784 N/A VAL 409.A N LEU 405.A O no hydrogen 3.312 N/A VAL 410.A N LEU 406.A O no hydrogen 3.310 N/A PHE 411.A N ASP 407.A O no hydrogen 3.008 N/A ARG 413.A N VAL 409.A O no hydrogen 2.872 N/A ARG 413.A NH2 GLU 94.A OE1 no hydrogen 3.318 N/A ALA 414.A N VAL 410.A O no hydrogen 2.743 N/A ALA 415.A N PHE 411.A O no hydrogen 3.209 N/A GLY 416.A N GLY 412.A O no hydrogen 3.359 N/A LEU 417.A N ARG 413.A O no hydrogen 2.787 N/A HIS 418.A N ALA 414.A O no hydrogen 3.110 N/A LEU 419.A N ALA 415.A O no hydrogen 2.915 N/A LEU 419.A N GLY 416.A O no hydrogen 3.311 N/A SER 422.A N HIS 418.A O no hydrogen 3.122 N/A SER 422.A OG HIS 418.A O no hydrogen 3.331 N/A ILE 423.A N LEU 419.A O no hydrogen 3.045 N/A ALA 424.A N GLN 420.A O no hydrogen 3.152 N/A GLU 425.A N GLU 421.A O no hydrogen 3.071 N/A GLN 426.A N SER 422.A O no hydrogen 2.974 N/A GLN 426.A NE2 ARG 196.A O no hydrogen 3.071 N/A GLY 427.A N ILE 423.A O no hydrogen 2.824 N/A VAL 437.A N SER 433.A O no hydrogen 3.195 N/A GLU 438.A N GLU 434.A O no hydrogen 2.555 N/A ALA 439.A N SER 435.A O no hydrogen 2.883 N/A SER 440.A OG LEU 169.A O no hydrogen 2.807 N/A LEU 441.A N GLU 438.A O no hydrogen 2.973 N/A ASP 442.A N ALA 439.A O no hydrogen 2.937 N/A ASN 445.A N LEU 441.A O no hydrogen 2.964 N/A ARG 446.A N ASP 442.A O no hydrogen 2.904 N/A ARG 446.A NH1 LEU 494.A O no hydrogen 3.030 N/A ARG 446.A NH2 ALA 497.A O no hydrogen 2.243 N/A TRP 447.A N ARG 443.A O no hydrogen 3.514 N/A TRP 447.A NE1 ASP 517.A OD2 no hydrogen 2.864 N/A ASN 448.A N LEU 444.A O no hydrogen 3.093 N/A ASN 449.A N ASN 445.A O no hydrogen 3.225 N/A ASN 449.A N ARG 446.A O no hydrogen 3.151 N/A ASN 450.A N ARG 446.A O no hydrogen 3.180 N/A ARG 451.A NE ASN 448.A O no hydrogen 3.543 N/A ARG 451.A NH2 ASN 448.A O no hydrogen 3.521 N/A GLU 454.A N ASN 496.A O no hydrogen 2.737 N/A VAL 457.A N ASP 455.A OD1 no hydrogen 3.046 N/A ALA 458.A N ASP 455.A O no hydrogen 3.330 N/A ARG 460.A N PRO 456.A O no hydrogen 2.756 N/A LYS 461.A N VAL 457.A O no hydrogen 2.772 N/A ALA 462.A N ALA 458.A O no hydrogen 2.710 N/A LEU 463.A N ILE 459.A O no hydrogen 3.013 N/A GLN 464.A N ARG 460.A O no hydrogen 3.092 N/A GLN 464.A NE2 TYR 209.A O no hydrogen 2.375 N/A GLU 465.A N LYS 461.A O no hydrogen 2.948 N/A CYS 466.A N ALA 462.A O no hydrogen 2.900 N/A MET 467.A N LEU 463.A O no hydrogen 3.244 N/A GLN 468.A N GLN 464.A O no hydrogen 2.783 N/A HIS 469.A N GLU 465.A O no hydrogen 2.940 N/A HIS 469.A ND1 GLU 465.A O no hydrogen 3.299 N/A ASN 470.A N CYS 466.A O no hydrogen 2.798 N/A PHE 471.A N MET 467.A O no hydrogen 2.974 N/A VAL 473.A N SER 472.A OG no hydrogen 2.450 N/A ARG 475.A N SER 541.A O no hydrogen 2.978 N/A ARG 475.A NH1 PHE 471.A O no hydrogen 3.053 N/A ARG 475.A NH1 SER 472.A O no hydrogen 2.715 N/A GLY 477.A N ASP 544.A OD2 no hydrogen 3.046 N/A MET 480.A N GLU 476.A O no hydrogen 3.212 N/A ALA 481.A N GLY 477.A O no hydrogen 2.976 N/A LYS 482.A N ASP 478.A O no hydrogen 3.218 N/A GLY 483.A N ALA 479.A O no hydrogen 3.102 N/A LEU 484.A N MET 480.A O no hydrogen 2.576 N/A GLU 485.A N ALA 481.A O no hydrogen 3.141 N/A GLU 485.A N LYS 482.A O no hydrogen 2.913 N/A GLN 486.A N LYS 482.A O no hydrogen 2.735 N/A LEU 487.A N GLY 483.A O no hydrogen 2.748 N/A LYS 488.A NZ LEU 484.A O no hydrogen 3.360 N/A LYS 488.A NZ GLU 485.A OE1 no hydrogen 3.082 N/A LYS 488.A NZ GLU 485.A OE2 no hydrogen 3.257 N/A VAL 489.A N GLU 485.A O no hydrogen 3.085 N/A ILE 490.A N GLN 486.A O no hydrogen 2.893 N/A ARG 491.A N LEU 487.A O no hydrogen 2.566 N/A GLU 492.A N LYS 488.A O no hydrogen 3.141 N/A GLU 492.A N VAL 489.A O no hydrogen 3.340 N/A ARG 493.A N VAL 489.A O no hydrogen 3.148 N/A ARG 493.A NE GLU 454.A OE2 no hydrogen 2.278 N/A LEU 494.A N ILE 490.A O no hydrogen 2.716 N/A LYS 495.A N GLU 492.A O no hydrogen 2.898 N/A LYS 495.A NZ GLU 492.A OE2 no hydrogen 2.885 N/A LYS 495.A NZ GLU 564.A OE2 no hydrogen 3.508 N/A ASN 496.A N ARG 493.A O no hydrogen 2.964 N/A ALA 497.A N LEU 494.A O no hydrogen 3.247 N/A ARG 498.A N GLU 454.A O no hydrogen 2.778 N/A LEU 499.A N ASN 450.A O no hydrogen 3.409 N/A SER 503.A OG ASP 501.A OD1 no hydrogen 2.535 N/A PHE 506.A N GLU 186.A O no hydrogen 3.150 N/A ASN 507.A ND2 SER 503.A O no hydrogen 3.336 N/A ARG 510.A N ASN 507.A OD1 no hydrogen 2.793 N/A VAL 511.A N ASN 507.A O no hydrogen 3.291 N/A GLU 512.A N THR 508.A O no hydrogen 2.814 N/A CYS 513.A N GLN 509.A O no hydrogen 2.702 N/A CYS 513.A SG GLN 509.A O no hydrogen 3.389 N/A LEU 514.A N ARG 510.A O no hydrogen 3.019 N/A GLU 515.A N VAL 511.A O no hydrogen 2.985 N/A LEU 516.A N GLU 512.A O no hydrogen 2.955 N/A LEU 516.A N CYS 513.A O no hydrogen 2.440 N/A ASP 517.A N CYS 513.A O no hydrogen 3.400 N/A ASN 518.A ND2 ASP 221.A OD1 no hydrogen 2.722 N/A LEU 519.A N GLU 515.A O no hydrogen 2.948 N/A MET 520.A N LEU 516.A O no hydrogen 2.748 N/A GLU 521.A N ASP 517.A O no hydrogen 2.851 N/A THR 522.A N ASN 518.A O no hydrogen 2.822 N/A THR 522.A OG1 ASN 518.A O no hydrogen 2.517 N/A ALA 523.A N LEU 519.A O no hydrogen 2.899 N/A TYR 524.A N MET 520.A O no hydrogen 3.092 N/A ALA 525.A N GLU 521.A O no hydrogen 3.120 N/A THR 526.A N THR 522.A O no hydrogen 3.024 N/A THR 526.A OG1 MET 236.A O no hydrogen 3.552 N/A THR 526.A OG1 THR 522.A O no hydrogen 2.862 N/A ALA 527.A N ALA 523.A O no hydrogen 3.039 N/A VAL 528.A N TYR 524.A O no hydrogen 3.159 N/A SER 529.A N ALA 525.A O no hydrogen 3.275 N/A SER 529.A OG ALA 525.A O no hydrogen 2.253 N/A ALA 530.A N THR 526.A O no hydrogen 2.935 N/A ASN 531.A N ALA 527.A O no hydrogen 2.916 N/A ARG 533.A N SER 529.A O no hydrogen 3.192 N/A ARG 533.A NE GLU 535.A OE2 no hydrogen 3.116 N/A ARG 533.A NH1 CYS 555.A O no hydrogen 3.211 N/A ARG 533.A NH2 GLU 535.A OE2 no hydrogen 3.413 N/A ARG 533.A NH2 CYS 555.A O no hydrogen 2.654 N/A THR 534.A OG1 PHE 532.A O no hydrogen 3.504 N/A SER 536.A OG ARG 542.A O no hydrogen 2.816 N/A SER 536.A OG PHE 545.A O no hydrogen 2.647 N/A GLY 538.A N ASP 77.A OD2 no hydrogen 3.346 N/A ALA 539.A N ALA 397.A O no hydrogen 3.027 N/A ARG 542.A N SER 536.A OG no hydrogen 2.864 N/A ARG 542.A NE ASP 544.A OD2 no hydrogen 3.274 N/A ARG 542.A NH1 ASN 531.A O no hydrogen 2.338 N/A PHE 545.A N ARG 542.A O no hydrogen 3.297 N/A ASP 549.A N GLU 535.A OE1 no hydrogen 2.414 N/A ASN 552.A N ASP 549.A OD1 no hydrogen 2.968 N/A ASN 552.A ND2 ASP 549.A OD1 no hydrogen 3.081 N/A CYS 555.A SG ASN 552.A O no hydrogen 3.328 N/A HIS 556.A N ASN 572.A O no hydrogen 2.351 N/A HIS 556.A NE2 ILE 79.A O no hydrogen 2.724 N/A SER 557.A OG GLU 237.A OE1 no hydrogen 2.922 N/A SER 557.A OG GLU 237.A OE2 no hydrogen 3.094 N/A LEU 558.A N SER 570.A O no hydrogen 3.008 N/A TYR 559.A N VAL 233.A O no hydrogen 2.884 N/A LEU 560.A N ARG 568.A O no hydrogen 2.802 N/A SER 563.A OG ARG 228.A O no hydrogen 3.015 N/A SER 565.A N GLU 562.A O no hydrogen 3.099 N/A SER 565.A OG GLU 562.A O no hydrogen 3.550 N/A SER 570.A N LEU 558.A O no hydrogen 2.941 N/A ARG 578.A N GLU 86.A OE1 no hydrogen 2.982 N/A ARG 586.A NH1 ASP 77.A OD2 no hydrogen 2.197 N/A ARG 586.A NH2 SER 536.A O no hydrogen 2.786 N/A