Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jai_jj.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N LEU 72.A O no hydrogen 3.086 N/A THR 3.A OG1 LEU 72.A O no hydrogen 3.251 N/A THR 3.A OG1 GLU 77.A OE2 no hydrogen 3.397 N/A ILE 5.A N VAL 70.A O no hydrogen 2.909 N/A ALA 6.A N GLU 49.A OE1 no hydrogen 2.685 N/A ILE 7.A N SER 68.A O no hydrogen 2.921 N/A VAL 8.A N ASN 87.A O no hydrogen 3.143 N/A ASN 9.A N ALA 66.A O no hydrogen 3.270 N/A CYS 13.A N ASN 9.A O no hydrogen 3.034 N/A LYS 17.A N LYS 14.A O no hydrogen 2.947 N/A CYS 18.A SG LYS 14.A O no hydrogen 3.958 N/A CYS 18.A SG PRO 15.A O no hydrogen 3.817 N/A CYS 18.A SG GLN 20.A O no hydrogen 3.313 N/A SER 25.A N GLU 21.A O no hydrogen 3.111 N/A SER 25.A OG GLU 21.A O no hydrogen 2.709 N/A SER 25.A OG CYS 22.A O no hydrogen 3.088 N/A CYS 26.A N CYS 22.A O no hydrogen 3.060 N/A ARG 30.A N CYS 26.A O no hydrogen 2.988 N/A ARG 30.A NE LYS 24.A O no hydrogen 3.043 N/A MET 31.A N PRO 27.A O no hydrogen 2.629 N/A GLY 32.A N VAL 28.A O no hydrogen 3.122 N/A CYS 35.A N LYS 33.A O no hydrogen 2.705 N/A GLU 37.A N TRP 46.A O no hydrogen 3.119 N/A THR 39.A OG1 VAL 38.A O no hydrogen 2.616 N/A THR 39.A OG1 GLN 41.A O no hydrogen 2.584 N/A SER 42.A OG VAL 38.A O no hydrogen 2.721 N/A SER 42.A OG GLN 41.A O no hydrogen 2.622 N/A TRP 46.A N GLU 37.A O no hydrogen 2.971 N/A SER 48.A N CYS 35.A O no hydrogen 2.756 N/A SER 48.A OG THR 50.A OG1 no hydrogen 2.532 N/A THR 50.A OG1 SER 48.A OG no hydrogen 2.532 N/A CYS 52.A N SER 48.A O no hydrogen 2.848 N/A LYS 60.A NZ GLY 56.A O no hydrogen 3.152 N/A LYS 61.A N ILE 57.A O no hydrogen 3.111 N/A CYS 62.A N CYS 58.A O no hydrogen 3.251 N/A GLY 65.A N CYS 62.A O no hydrogen 3.259 N/A SER 68.A N ILE 7.A O no hydrogen 3.176 N/A VAL 70.A N ILE 5.A O no hydrogen 3.006 N/A LEU 72.A N THR 3.A O no hydrogen 2.752 N/A SER 74.A N LYS 1.A O no hydrogen 3.293 N/A LEU 76.A N PRO 73.A O no hydrogen 2.855 N/A GLU 77.A N SER 74.A O no hydrogen 3.445 N/A LYS 78.A N ASN 75.A O no hydrogen 3.432 N/A THR 80.A N LYS 78.A O no hydrogen 2.906 N/A THR 80.A OG1 LYS 78.A O no hydrogen 3.407 N/A THR 80.A OG1 LEU 128.A O no hydrogen 3.522 N/A THR 81.A N LEU 91.A O no hydrogen 3.320 N/A THR 81.A OG1 ARG 93.A O no hydrogen 3.257 N/A ARG 83.A N ASN 127.A OD1 no hydrogen 3.088 N/A ARG 83.A NE ALA 88.A O no hydrogen 2.919 N/A ARG 83.A NH1 GLU 49.A OE1 no hydrogen 3.312 N/A ARG 83.A NH1 GLU 49.A OE2 no hydrogen 3.562 N/A ARG 83.A NH1 ALA 88.A O no hydrogen 3.461 N/A ARG 83.A NH2 GLU 49.A OE2 no hydrogen 2.984 N/A TYR 84.A OH GLN 124.A OE1 no hydrogen 3.197 N/A ASN 87.A ND2 ILE 47.A O no hydrogen 3.673 N/A LYS 90.A N ALA 288.A O no hydrogen 3.206 N/A LEU 91.A N HIS 82.A O no hydrogen 3.040 N/A HIS 92.A N GLY 290.A O no hydrogen 2.682 N/A HIS 92.A ND1 GLU 79.A O no hydrogen 3.168 N/A ARG 93.A N GLU 79.A O no hydrogen 3.273 N/A ARG 93.A NE GLU 79.A OE1 no hydrogen 2.707 N/A ARG 93.A NH2 VAL 292.A O no hydrogen 3.324 N/A GLY 100.A N ARG 260.A O no hydrogen 3.020 N/A LEU 103.A N ILE 262.A O no hydrogen 2.773 N/A GLY 104.A N PHE 278.A O no hydrogen 2.771 N/A LEU 105.A N VAL 264.A O no hydrogen 2.944 N/A VAL 106.A N CYS 280.A O no hydrogen 3.128 N/A ASN 109.A N ASP 473.A OD2 no hydrogen 2.765 N/A THR 115.A OG1 GLY 112.A O no hydrogen 2.493 N/A ALA 116.A N GLY 112.A O no hydrogen 2.857 N/A LEU 117.A N LYS 113.A O no hydrogen 3.026 N/A LYS 118.A N SER 114.A O no hydrogen 2.830 N/A ILE 119.A N THR 115.A O no hydrogen 3.006 N/A LEU 120.A N ALA 116.A O no hydrogen 2.879 N/A ALA 121.A N LEU 117.A O no hydrogen 2.785 N/A GLY 122.A N LYS 118.A O no hydrogen 2.939 N/A GLY 122.A N ILE 119.A O no hydrogen 2.736 N/A GLN 124.A N LYS 118.A O no hydrogen 3.513 N/A ASN 127.A ND2 ARG 83.A O no hydrogen 2.579 N/A LEU 128.A N THR 81.A O no hydrogen 2.850 N/A GLY 129.A N ASN 127.A OD1 no hydrogen 3.094 N/A GLU 135.A N ASP 132.A O no hydrogen 2.603 N/A LEU 137.A N TRP 133.A O no hydrogen 2.945 N/A THR 138.A N GLN 134.A O no hydrogen 3.346 N/A THR 138.A OG1 GLN 134.A O no hydrogen 3.143 N/A THR 138.A OG1 GLU 135.A O no hydrogen 2.705 N/A TYR 139.A N GLU 135.A O no hydrogen 3.394 N/A PHE 140.A N ILE 136.A O no hydrogen 3.196 N/A PHE 140.A N LEU 137.A O no hydrogen 2.743 N/A SER 143.A OG PHE 140.A O no hydrogen 2.435 N/A GLN 146.A N SER 143.A O no hydrogen 3.029 N/A TYR 148.A N GLU 144.A O no hydrogen 2.987 N/A TYR 148.A OH LEU 120.A O no hydrogen 2.457 N/A PHE 149.A N LEU 145.A O no hydrogen 2.838 N/A THR 150.A N GLN 146.A O no hydrogen 2.899 N/A THR 150.A OG1 GLN 146.A O no hydrogen 2.467 N/A THR 150.A OG1 ASN 147.A O no hydrogen 2.711 N/A LYS 151.A N ASN 147.A O no hydrogen 2.826 N/A LYS 151.A NZ TYR 261.A OH no hydrogen 3.161 N/A ILE 152.A N TYR 148.A O no hydrogen 3.050 N/A LEU 153.A N PHE 149.A O no hydrogen 3.107 N/A LEU 153.A N THR 150.A O no hydrogen 3.192 N/A ASP 155.A N GLU 154.A OE1 no hydrogen 2.649 N/A ILE 160.A N ILE 230.A O no hydrogen 3.337 N/A LYS 162.A N MET 232.A O no hydrogen 3.235 N/A LYS 162.A NZ GLN 216.A O no hydrogen 3.205 N/A LYS 162.A NZ GLN 216.A OE1 no hydrogen 2.973 N/A VAL 166.A N TYR 471.A OH no hydrogen 3.167 N/A ILE 169.A N VAL 166.A O no hydrogen 3.247 N/A ALA 172.A N PRO 170.A O no hydrogen 2.816 N/A ALA 173.A N ILE 169.A O no hydrogen 3.369 N/A THR 176.A OG1 SER 179.A OG no hydrogen 2.990 N/A VAL 177.A N ARG 205.A O no hydrogen 2.898 N/A GLY 178.A N LYS 203.A O no hydrogen 2.752 N/A SER 179.A N THR 176.A OG1 no hydrogen 3.042 N/A SER 179.A OG THR 176.A O no hydrogen 2.536 N/A SER 179.A OG THR 176.A OG1 no hydrogen 2.990 N/A ILE 180.A N THR 176.A O no hydrogen 3.240 N/A LEU 181.A N VAL 177.A O no hydrogen 3.034 N/A ASP 182.A N GLY 178.A O no hydrogen 3.470 N/A ARG 183.A N SER 179.A O no hydrogen 3.036 N/A LYS 184.A N ILE 180.A O no hydrogen 3.198 N/A THR 187.A OG1 THR 189.A OG1 no hydrogen 3.043 N/A THR 187.A OG1 ILE 225.A O no hydrogen 2.961 N/A THR 189.A OG1 THR 187.A OG1 no hydrogen 3.043 N/A VAL 193.A N THR 189.A O no hydrogen 3.358 N/A CYS 194.A N GLN 190.A O no hydrogen 2.736 N/A CYS 194.A SG GLN 190.A O no hydrogen 3.208 N/A GLN 195.A N ALA 191.A O no hydrogen 2.826 N/A GLN 196.A N ILE 192.A O no hydrogen 2.986 N/A LEU 197.A N VAL 193.A O no hydrogen 2.891 N/A LEU 199.A N CYS 194.A O no hydrogen 2.963 N/A ARG 205.A N LEU 202.A O no hydrogen 3.095 N/A ASN 206.A N ASP 209.A OD2 no hydrogen 3.020 N/A ASP 209.A N ASN 206.A O no hydrogen 3.324 N/A LEU 210.A N VAL 207.A O no hydrogen 3.415 N/A SER 211.A OG GLU 214.A OE2 no hydrogen 3.347 N/A LEU 215.A N SER 211.A O no hydrogen 2.674 N/A GLN 216.A N GLY 212.A O no hydrogen 3.066 N/A GLN 216.A NE2 GLU 235.A O no hydrogen 3.585 N/A GLN 216.A NE2 SER 237.A O no hydrogen 2.897 N/A ARG 217.A N GLY 213.A O no hydrogen 3.258 N/A PHE 218.A N GLU 214.A O no hydrogen 3.020 N/A ALA 219.A N LEU 215.A O no hydrogen 3.020 N/A CYS 220.A N GLN 216.A O no hydrogen 2.854 N/A CYS 220.A SG GLN 216.A O no hydrogen 3.420 N/A ALA 221.A N ARG 217.A O no hydrogen 3.153 N/A VAL 222.A N PHE 218.A O no hydrogen 3.023 N/A VAL 223.A N ALA 219.A O no hydrogen 3.244 N/A CYS 224.A N CYS 220.A O no hydrogen 2.775 N/A CYS 224.A SG CYS 220.A O no hydrogen 3.051 N/A ILE 225.A N ALA 221.A O no hydrogen 2.955 N/A ILE 225.A N VAL 222.A O no hydrogen 3.215 N/A GLN 226.A N VAL 222.A O no hydrogen 3.112 N/A LYS 227.A N GLU 186.A OE1 no hydrogen 3.087 N/A PHE 231.A N TYR 261.A O no hydrogen 2.908 N/A MET 232.A N ILE 160.A O no hydrogen 2.989 N/A ASP 234.A N LYS 162.A O no hydrogen 3.135 N/A GLU 235.A N VAL 265.A O no hydrogen 2.787 N/A SER 237.A N GLU 266.A OE2 no hydrogen 2.899 N/A SER 237.A OG GLU 266.A OE1 no hydrogen 2.933 N/A SER 237.A OG GLU 266.A OE2 no hydrogen 2.795 N/A TYR 239.A OH ASP 167.A OD2 no hydrogen 3.045 N/A LEU 240.A N SER 237.A O no hydrogen 2.868 N/A ARG 245.A N ASP 241.A O no hydrogen 2.651 N/A ARG 245.A NE LEU 240.A O no hydrogen 3.226 N/A LEU 246.A N VAL 242.A O no hydrogen 3.014 N/A LYS 247.A N LYS 243.A O no hydrogen 2.789 N/A LYS 247.A NZ ASP 198.A OD2 no hydrogen 2.867 N/A ALA 248.A N GLN 244.A O no hydrogen 2.719 N/A ALA 249.A N ARG 245.A O no hydrogen 3.446 N/A ILE 250.A N LEU 246.A O no hydrogen 2.767 N/A THR 251.A N LYS 247.A O no hydrogen 2.856 N/A THR 251.A OG1 LYS 247.A O no hydrogen 3.480 N/A THR 251.A OG1 ALA 248.A O no hydrogen 2.475 N/A ILE 252.A N ALA 248.A O no hydrogen 2.873 N/A ARG 253.A N ALA 249.A O no hydrogen 3.034 N/A ARG 253.A NH1 LEU 275.A O no hydrogen 2.875 N/A ARG 253.A NH1 ASP 277.A OD2 no hydrogen 3.135 N/A SER 254.A N ILE 250.A O no hydrogen 2.937 N/A SER 254.A OG THR 251.A O no hydrogen 2.757 N/A LEU 255.A N ILE 252.A O no hydrogen 2.895 N/A ILE 256.A N ARG 253.A O no hydrogen 3.226 N/A ASN 257.A ND2 LEU 255.A O no hydrogen 3.617 N/A ILE 263.A N PHE 231.A O no hydrogen 2.677 N/A VAL 264.A N LEU 103.A O no hydrogen 2.691 N/A VAL 265.A N PHE 233.A O no hydrogen 2.610 N/A HIS 267.A N GLU 266.A OE1 no hydrogen 3.121 N/A ASP 268.A N GLU 266.A OE1 no hydrogen 3.058 N/A LEU 272.A N ASP 268.A O no hydrogen 2.845 N/A ASP 273.A N LEU 269.A O no hydrogen 2.766 N/A TYR 274.A N SER 270.A O no hydrogen 3.267 N/A LEU 275.A N VAL 271.A O no hydrogen 2.910 N/A SER 276.A N LEU 272.A O no hydrogen 2.932 N/A SER 276.A OG LEU 272.A O no hydrogen 3.207 N/A ASP 277.A N VAL 102.A O no hydrogen 3.146 N/A ILE 279.A N PHE 296.A O no hydrogen 2.868 N/A CYS 280.A N GLY 104.A O no hydrogen 3.007 N/A CYS 281.A N THR 293.A OG1 no hydrogen 2.987 N/A CYS 281.A SG GLY 301.A O no hydrogen 3.295 N/A LEU 282.A N VAL 106.A O no hydrogen 2.728 N/A VAL 285.A N TYR 289.A O no hydrogen 2.698 N/A SER 287.A N GLY 110.A O no hydrogen 2.967 N/A SER 287.A OG PRO 286.A O no hydrogen 2.826 N/A TYR 289.A N VAL 285.A O no hydrogen 3.045 N/A GLY 290.A N LYS 90.A O no hydrogen 3.240 N/A VAL 291.A N TYR 283.A O no hydrogen 2.653 N/A VAL 292.A N HIS 92.A O no hydrogen 2.816 N/A THR 293.A N CYS 281.A O no hydrogen 3.054 N/A THR 293.A OG1 CYS 281.A O no hydrogen 3.293 N/A THR 293.A OG1 MET 294.A O no hydrogen 3.295 N/A PHE 296.A N ILE 279.A O no hydrogen 2.813 N/A GLY 301.A N SER 297.A O no hydrogen 2.899 N/A ILE 302.A N VAL 298.A O no hydrogen 3.287 N/A ASN 303.A N ARG 299.A O no hydrogen 3.325 N/A ASN 303.A ND2 ASP 549.A OD2 no hydrogen 2.799 N/A ILE 304.A N GLU 300.A O no hydrogen 2.966 N/A PHE 305.A N GLY 301.A O no hydrogen 2.950 N/A LEU 306.A N ILE 302.A O no hydrogen 2.864 N/A ASP 307.A N ASN 303.A O no hydrogen 2.832 N/A GLY 308.A N ILE 304.A O no hydrogen 3.019 N/A GLY 308.A N PHE 305.A O no hydrogen 3.180 N/A VAL 310.A N LEU 315.A O no hydrogen 3.095 N/A THR 312.A OG1 GLU 313.A OE1 no hydrogen 2.706 N/A ASN 314.A N VAL 310.A O no hydrogen 2.694 N/A ASN 314.A ND2 ASN 314.A O no hydrogen 2.993 N/A LEU 315.A N VAL 310.A O no hydrogen 3.231 N/A ARG 316.A NH1 ASP 307.A O no hydrogen 3.118 N/A ARG 316.A NH2 ASP 307.A O no hydrogen 2.882 N/A ARG 316.A NH2 ARG 318.A O no hydrogen 3.430 N/A PHE 317.A N GLY 308.A O no hydrogen 3.165 N/A ARG 318.A NE GLU 475.A OE2 no hydrogen 2.738 N/A ARG 318.A NH1 PHE 305.A O no hydrogen 2.841 N/A ARG 318.A NH1 ALA 320.A O no hydrogen 3.527 N/A ARG 318.A NH2 PHE 305.A O no hydrogen 2.606 N/A ARG 318.A NH2 GLU 475.A OE2 no hydrogen 3.122 N/A LEU 322.A N LEU 306.A O no hydrogen 3.163 N/A MET 325.A N ASP 351.A OD2 no hydrogen 3.245 N/A CYS 326.A SG GLU 348.A OE1 no hydrogen 3.411 N/A MET 327.A N PHE 349.A O no hydrogen 2.919 N/A TYR 330.A N GLY 347.A O no hydrogen 2.719 N/A LYS 335.A N LEU 342.A O no hydrogen 2.833 N/A LYS 335.A NZ GLU 383.A OE1 no hydrogen 3.086 N/A MET 337.A N PHE 340.A O no hydrogen 2.686 N/A GLU 341.A N LYS 521.A O no hydrogen 3.273 N/A LEU 342.A N LYS 335.A O no hydrogen 3.013 N/A ALA 343.A N THR 523.A O no hydrogen 3.289 N/A ILE 344.A N MET 333.A O no hydrogen 2.731 N/A VAL 345.A N ALA 525.A O no hydrogen 3.333 N/A GLY 347.A N TYR 330.A O no hydrogen 2.772 N/A PHE 349.A N TYR 328.A O no hydrogen 3.398 N/A THR 350.A N GLU 353.A OE2 no hydrogen 3.016 N/A ASP 351.A N MET 325.A O no hydrogen 3.404 N/A SER 352.A OG ILE 488.A O no hydrogen 2.962 N/A MET 355.A N ALA 495.A O no hydrogen 2.658 N/A MET 357.A N VAL 497.A O no hydrogen 3.206 N/A LEU 358.A N ILE 513.A O no hydrogen 2.889 N/A GLU 360.A N THR 363.A OG1 no hydrogen 2.636 N/A ASN 361.A ND2 TYR 239.A O no hydrogen 3.099 N/A THR 363.A N GLU 360.A O no hydrogen 3.162 N/A THR 363.A OG1 GLU 360.A O no hydrogen 2.830 N/A LYS 365.A NZ MET 357.A O no hydrogen 2.657 N/A PHE 368.A N GLY 364.A O no hydrogen 3.164 N/A ILE 369.A N LYS 365.A O no hydrogen 2.752 N/A ARG 370.A N THR 366.A O no hydrogen 2.833 N/A MET 371.A N THR 367.A O no hydrogen 2.929 N/A LEU 372.A N PHE 368.A O no hydrogen 2.721 N/A ALA 373.A N ILE 369.A O no hydrogen 3.168 N/A GLY 374.A N ARG 370.A O no hydrogen 3.088 N/A LEU 376.A N ARG 370.A O no hydrogen 3.027 N/A LEU 387.A N PRO 385.A O no hydrogen 2.799 N/A SER 390.A OG CYS 455.A O no hydrogen 3.234 N/A LYS 392.A N LEU 464.A O no hydrogen 3.094 N/A LYS 395.A NZ LEU 210.A O no hydrogen 3.077 N/A VAL 404.A N GLN 437.A O no hydrogen 3.138 N/A ARG 405.A N ILE 435.A O no hydrogen 2.937 N/A ARG 405.A NE ASP 436.A OD1 no hydrogen 3.353 N/A GLN 406.A N SER 403.A OG no hydrogen 3.152 N/A LEU 407.A N SER 403.A O no hydrogen 3.177 N/A LEU 408.A N VAL 404.A O no hydrogen 2.633 N/A HIS 409.A N ARG 405.A O no hydrogen 3.016 N/A GLU 410.A N GLN 406.A O no hydrogen 3.180 N/A LYS 411.A N LEU 407.A O no hydrogen 3.233 N/A ILE 412.A N LEU 408.A O no hydrogen 2.727 N/A ARG 413.A NH2 HIS 409.A ND1 no hydrogen 3.401 N/A TYR 416.A N ILE 412.A O no hydrogen 3.307 N/A THR 417.A OG1 ARG 413.A O no hydrogen 3.211 N/A THR 417.A OG1 ASP 414.A O no hydrogen 2.747 N/A HIS 418.A N ASP 414.A O no hydrogen 2.808 N/A PHE 421.A N HIS 418.A O no hydrogen 3.141 N/A VAL 422.A N HIS 418.A O no hydrogen 2.828 N/A THR 423.A N PRO 419.A O no hydrogen 2.771 N/A THR 423.A OG1 PRO 419.A O no hydrogen 3.458 N/A VAL 425.A N PHE 421.A O no hydrogen 2.513 N/A LYS 427.A N VAL 422.A O no hydrogen 2.775 N/A LEU 429.A N VAL 425.A O no hydrogen 3.305 N/A LEU 429.A N MET 426.A O no hydrogen 3.033 N/A GLN 430.A N LYS 427.A O no hydrogen 3.275 N/A ILE 431.A N MET 426.A O no hydrogen 3.374 N/A ASN 433.A N GLN 430.A O no hydrogen 3.080 N/A ILE 435.A N ILE 431.A O no hydrogen 2.685 N/A GLN 437.A N ILE 434.A O no hydrogen 2.698 N/A VAL 439.A N GLY 402.A O no hydrogen 2.952 N/A THR 441.A OG1 GLU 438.A O no hydrogen 3.554 N/A LEU 442.A N VAL 439.A O no hydrogen 3.189 N/A SER 443.A N GLU 446.A OE1 no hydrogen 3.302 N/A GLU 446.A N SER 443.A OG no hydrogen 3.068 N/A LEU 447.A N SER 443.A O no hydrogen 2.876 N/A GLN 448.A N GLY 444.A O no hydrogen 3.070 N/A GLN 448.A NE2 GLN 448.A O no hydrogen 3.688 N/A ARG 449.A N GLY 445.A O no hydrogen 2.898 N/A ARG 449.A NE LEU 429.A O no hydrogen 2.929 N/A VAL 450.A N GLU 446.A O no hydrogen 3.104 N/A ALA 451.A N LEU 447.A O no hydrogen 2.835 N/A LEU 452.A N GLN 448.A O no hydrogen 3.091 N/A ALA 453.A N ARG 449.A O no hydrogen 3.401 N/A LEU 454.A N VAL 450.A O no hydrogen 2.836 N/A CYS 455.A N ALA 451.A O no hydrogen 2.875 N/A LEU 456.A N LEU 452.A O no hydrogen 3.040 N/A GLY 457.A N ALA 453.A O no hydrogen 2.717 N/A LYS 458.A N LEU 454.A O no hydrogen 3.021 N/A ASP 461.A N ASN 388.A O no hydrogen 3.083 N/A LEU 464.A N SER 390.A O no hydrogen 2.698 N/A ASP 466.A N LYS 392.A O no hydrogen 2.926 N/A GLU 467.A N VAL 498.A O no hydrogen 2.678 N/A SER 469.A OG ASP 501.A OD2 no hydrogen 2.609 N/A LEU 472.A N SER 469.A O no hydrogen 2.923 N/A ASP 473.A N GLN 476.A OE1 no hydrogen 3.480 N/A ARG 477.A N ASP 473.A O no hydrogen 2.756 N/A MET 479.A N GLU 475.A O no hydrogen 3.309 N/A ALA 480.A N GLN 476.A O no hydrogen 2.946 N/A ALA 481.A N ARG 477.A O no hydrogen 3.072 N/A ARG 482.A N LEU 478.A O no hydrogen 3.096 N/A VAL 483.A N MET 479.A O no hydrogen 3.009 N/A VAL 484.A N ALA 480.A O no hydrogen 3.206 N/A LYS 485.A N ALA 481.A O no hydrogen 2.856 N/A LYS 485.A NZ TYR 507.A O no hydrogen 2.772 N/A ARG 486.A N ARG 482.A O no hydrogen 2.977 N/A PHE 487.A N VAL 483.A O no hydrogen 2.844 N/A ILE 488.A N VAL 484.A O no hydrogen 3.191 N/A LEU 489.A N LYS 485.A O no hydrogen 3.365 N/A HIS 490.A N ARG 486.A O no hydrogen 2.914 N/A ALA 491.A N PHE 487.A O no hydrogen 2.788 N/A LYS 492.A N ILE 488.A O no hydrogen 2.827 N/A THR 494.A OG1 ASP 461.A O no hydrogen 3.326 N/A ALA 495.A N GLU 353.A O no hydrogen 3.010 N/A PHE 496.A N TYR 463.A O no hydrogen 2.823 N/A VAL 497.A N MET 355.A O no hydrogen 3.096 N/A VAL 498.A N ILE 465.A O no hydrogen 2.706 N/A ALA 505.A N ASP 501.A O no hydrogen 2.733 N/A THR 506.A OG1 PHE 502.A O no hydrogen 2.653 N/A THR 506.A OG1 ILE 503.A O no hydrogen 2.582 N/A TYR 507.A N ILE 503.A O no hydrogen 3.144 N/A LEU 508.A N MET 504.A O no hydrogen 3.007 N/A ALA 509.A N ALA 505.A O no hydrogen 3.081 N/A ASP 510.A N ILE 354.A O no hydrogen 3.270 N/A VAL 512.A N GLN 529.A O no hydrogen 3.469 N/A PHE 515.A N LEU 358.A O no hydrogen 2.775 N/A SER 520.A N GLY 362.A O no hydrogen 2.756 N/A SER 520.A OG PRO 519.A O no hydrogen 2.559 N/A LYS 521.A N VAL 518.A O no hydrogen 2.955 N/A THR 523.A N GLU 341.A O no hydrogen 3.074 N/A ALA 525.A N ALA 343.A O no hydrogen 2.927 N/A ASN 526.A N VAL 514.A O no hydrogen 2.848 N/A GLN 529.A N VAL 512.A O no hydrogen 2.686 N/A MET 535.A N LEU 531.A O no hydrogen 2.811 N/A ASN 536.A N LEU 532.A O no hydrogen 2.952 N/A LYS 537.A N ALA 533.A O no hydrogen 2.961 N/A PHE 538.A N GLY 534.A O no hydrogen 2.987 N/A LEU 539.A N MET 535.A O no hydrogen 2.660 N/A SER 540.A N ASN 536.A O no hydrogen 2.900 N/A SER 540.A OG ASN 536.A O no hydrogen 2.968 N/A SER 540.A OG LYS 537.A O no hydrogen 2.580 N/A GLN 541.A N LYS 537.A O no hydrogen 3.095 N/A LEU 542.A N PHE 538.A O no hydrogen 3.155 N/A ILE 544.A N LEU 539.A O no hydrogen 3.271 N/A THR 545.A OG1 ASP 565.A OD1 no hydrogen 2.589 N/A PHE 546.A N TYR 574.A O no hydrogen 3.014 N/A ARG 547.A N ARG 556.A O no hydrogen 3.011 N/A ARG 547.A NE ASN 558.A OD1 no hydrogen 3.155 N/A ASP 549.A N ARG 554.A O no hydrogen 3.159 N/A ASN 552.A N ASP 549.A O no hydrogen 3.347 N/A ASN 552.A ND2 ASN 303.A OD1 no hydrogen 2.948 N/A TYR 553.A N ASP 549.A O no hydrogen 2.685 N/A ARG 554.A N ASN 552.A OD1 no hydrogen 3.514 N/A ARG 554.A NH1 ASN 303.A OD1 no hydrogen 2.665 N/A ARG 554.A NH2 ASN 303.A OD1 no hydrogen 3.520 N/A ARG 556.A N ARG 547.A O no hydrogen 2.829 N/A ARG 556.A NE ASP 273.A OD2 no hydrogen 2.697 N/A ARG 556.A NH1 ASP 273.A OD2 no hydrogen 3.429 N/A ASN 558.A N THR 545.A O no hydrogen 3.223 N/A SER 562.A OG LYS 559.A O no hydrogen 2.997 N/A ASP 565.A N SER 562.A OG no hydrogen 3.180 N/A VAL 566.A N SER 562.A O no hydrogen 2.928 N/A GLU 567.A N ILE 563.A O no hydrogen 2.679 N/A GLN 568.A N LYS 564.A O no hydrogen 2.810 N/A GLN 568.A N ASP 565.A O no hydrogen 3.125 N/A GLN 568.A NE2 PHE 546.A O no hydrogen 3.008 N/A LYS 569.A N ASP 565.A O no hydrogen 2.864 N/A LYS 570.A N VAL 566.A O no hydrogen 3.031 N/A SER 571.A OG GLU 567.A O no hydrogen 3.274 N/A SER 571.A OG GLN 568.A O no hydrogen 3.140 N/A GLY 572.A N GLN 568.A O no hydrogen 2.709 N/A ASN 573.A N SER 571.A OG no hydrogen 3.247 N/A