Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u9s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A N ARG 305.A O no hydrogen 2.790 N/A ARG 2.A NH2 GLY 101.A O no hydrogen 2.866 N/A SER 3.A OG GLN 5.A OE1 no hydrogen 3.435 N/A GLN 5.A NE2 SER 3.A O no hydrogen 3.577 N/A ARG 6.A NH1 GLY 76.A O no hydrogen 3.058 N/A LEU 7.A N GLY 29.A O no hydrogen 2.819 N/A LEU 8.A N ALA 79.A O no hydrogen 2.757 N/A VAL 9.A N VAL 31.A O no hydrogen 3.217 N/A ASN 11.A N VAL 9.A O no hydrogen 2.684 N/A ASN 11.A ND2 PRO 82.A O no hydrogen 3.348 N/A ASN 11.A ND2 TYR 84.A O no hydrogen 3.210 N/A ARG 12.A N ASN 11.A OD1 no hydrogen 2.482 N/A ARG 12.A NE ASP 38.A OD2 no hydrogen 3.091 N/A ARG 12.A NH2 ASP 38.A OD2 no hydrogen 2.736 N/A ALA 16.A N GLY 13.A O no hydrogen 2.876 N/A CYS 17.A N GLY 13.A O no hydrogen 3.397 N/A CYS 17.A SG GLY 13.A O no hydrogen 3.830 N/A ARG 18.A N GLU 14.A O no hydrogen 3.097 N/A ARG 18.A NE HIS 285.A NE2 no hydrogen 3.079 N/A ARG 18.A NH1 ARG 18.A O no hydrogen 2.622 N/A ARG 18.A NH1 SER 22.A OG no hydrogen 2.894 N/A ARG 18.A NH2 GLU 289.A OE1 no hydrogen 3.160 N/A ARG 18.A NH2 ASP 295.A OD2 no hydrogen 3.387 N/A VAL 19.A N ILE 15.A O no hydrogen 2.722 N/A MET 20.A N ALA 16.A O no hydrogen 2.730 N/A ARG 21.A N CYS 17.A O no hydrogen 3.018 N/A SER 22.A OG ASP 295.A OD1 no hydrogen 3.413 N/A SER 22.A OG ASP 295.A OD2 no hydrogen 3.290 N/A ALA 23.A N VAL 19.A O no hydrogen 2.917 N/A ARG 24.A N MET 20.A O no hydrogen 2.805 N/A ARG 24.A NH2 GLU 46.A O no hydrogen 2.475 N/A ALA 25.A N ARG 21.A O no hydrogen 3.192 N/A LEU 26.A N SER 22.A O no hydrogen 3.078 N/A LEU 26.A N ALA 23.A O no hydrogen 3.076 N/A GLY 27.A N ARG 24.A O no hydrogen 2.735 N/A ILE 28.A N ALA 23.A O no hydrogen 2.834 N/A GLY 29.A N GLN 5.A O no hydrogen 2.962 N/A SER 30.A N ASP 48.A OD2 no hydrogen 3.408 N/A VAL 31.A N LEU 7.A O no hydrogen 3.273 N/A ALA 32.A N ILE 49.A O no hydrogen 2.960 N/A HIS 34.A N VAL 51.A O no hydrogen 2.950 N/A SER 35.A N TYR 62.A OH no hydrogen 3.114 N/A SER 35.A OG ASP 38.A OD1 no hydrogen 3.544 N/A SER 35.A OG GLY 55.A O no hydrogen 2.764 N/A SER 35.A OG TYR 371.A OH no hydrogen 3.286 N/A ASP 36.A N GLY 55.A O no hydrogen 2.648 N/A ASP 38.A N ASP 36.A O no hydrogen 2.661 N/A ARG 39.A N ASP 36.A O no hydrogen 3.241 N/A ARG 39.A NE ASP 36.A O no hydrogen 3.408 N/A ALA 41.A N ASP 38.A O no hydrogen 2.687 N/A ARG 42.A NE GLU 46.A OE2 no hydrogen 2.773 N/A ARG 42.A NH1 SER 359.A O no hydrogen 3.230 N/A ARG 42.A NH2 GLU 46.A OE2 no hydrogen 3.210 N/A ARG 42.A NH2 SER 359.A O no hydrogen 3.554 N/A ALA 45.A N ARG 42.A O no hydrogen 2.668 N/A GLU 46.A N ARG 42.A O no hydrogen 2.812 N/A ASP 48.A N SER 30.A O no hydrogen 2.668 N/A ILE 49.A N SER 30.A O no hydrogen 3.419 N/A VAL 51.A N ALA 32.A O no hydrogen 3.239 N/A LEU 53.A N HIS 34.A O no hydrogen 2.689 N/A SER 61.A OG LYS 57.A O no hydrogen 2.909 N/A TYR 62.A OH ASP 38.A OD2 no hydrogen 3.058 N/A LEU 63.A N PRO 58.A O no hydrogen 3.244 N/A ARG 64.A N SER 61.A O no hydrogen 2.821 N/A ARG 64.A NH1 ASP 66.A OD1 no hydrogen 3.105 N/A ARG 64.A NH1 ASP 66.A OD2 no hydrogen 3.288 N/A ILE 68.A N ARG 64.A O no hydrogen 3.075 N/A ILE 69.A N GLY 65.A O no hydrogen 2.875 N/A ALA 70.A N ARG 67.A O no hydrogen 2.941 N/A ALA 71.A N ARG 67.A O no hydrogen 2.691 N/A ALA 72.A N ILE 68.A O no hydrogen 2.906 N/A ALA 74.A N ALA 70.A O no hydrogen 2.715 N/A SER 75.A N ALA 72.A O no hydrogen 3.394 N/A SER 75.A OG ALA 71.A O no hydrogen 2.659 N/A SER 75.A OG ALA 72.A O no hydrogen 2.699 N/A ALA 77.A N ALA 72.A O no hydrogen 3.161 N/A GLN 78.A N ARG 6.A O no hydrogen 3.034 N/A ILE 80.A N LEU 103.A O no hydrogen 3.068 N/A HIS 81.A N LEU 8.A O no hydrogen 2.822 N/A GLY 83.A N HIS 81.A ND1 no hydrogen 3.180 N/A TYR 84.A OH GLU 14.A OE2 no hydrogen 2.565 N/A SER 88.A N GLY 85.A O no hydrogen 2.867 N/A SER 88.A OG GLY 85.A O no hydrogen 3.088 N/A ASN 90.A ND2 ASP 92.A OD2 no hydrogen 2.281 N/A PHE 93.A N ASN 90.A O no hydrogen 2.730 N/A ARG 95.A N ALA 91.A O no hydrogen 2.480 N/A ALA 96.A N ASP 92.A O no hydrogen 2.961 N/A CYS 97.A N PHE 93.A O no hydrogen 2.556 N/A GLU 98.A N ALA 94.A O no hydrogen 2.829 N/A GLU 99.A N ARG 95.A O no hydrogen 2.991 N/A ALA 100.A N CYS 97.A O no hydrogen 3.328 N/A GLY 101.A N GLU 98.A O no hydrogen 3.395 N/A LEU 103.A N GLN 78.A O no hydrogen 3.205 N/A LEU 105.A N ILE 80.A O no hydrogen 3.077 N/A ILE 112.A N PRO 108.A O no hydrogen 3.259 N/A ILE 112.A N ALA 109.A O no hydrogen 2.727 N/A ASP 113.A N ALA 109.A O no hydrogen 3.410 N/A ALA 114.A N ALA 111.A O no hydrogen 3.334 N/A GLY 116.A N ASP 113.A O no hydrogen 3.127 N/A ALA 120.A N SER 117.A OG no hydrogen 3.352 N/A ALA 121.A N SER 117.A O no hydrogen 3.124 N/A LYS 122.A N LYS 118.A O no hydrogen 2.964 N/A ALA 123.A N SER 119.A O no hydrogen 3.050 N/A ALA 123.A N ALA 120.A O no hydrogen 3.143 N/A LEU 124.A N ALA 120.A O no hydrogen 3.390 N/A MET 125.A N ALA 121.A O no hydrogen 2.862 N/A GLU 126.A N LYS 122.A O no hydrogen 3.112 N/A GLU 127.A N ALA 123.A O no hydrogen 2.880 N/A ALA 128.A N MET 125.A O no hydrogen 3.227 N/A VAL 130.A N MET 125.A O no hydrogen 3.254 N/A TYR 136.A N VAL 187.A O no hydrogen 2.556 N/A TYR 136.A OH GLU 139.A O no hydrogen 2.926 N/A GLN 141.A N GLU 139.A O no hydrogen 2.748 N/A PHE 146.A N ASP 142.A O no hydrogen 3.155 N/A ARG 147.A N GLU 144.A O no hydrogen 2.932 N/A ARG 148.A N GLU 144.A O no hydrogen 3.021 N/A GLU 149.A N THR 145.A O no hydrogen 2.683 N/A ALA 150.A N PHE 146.A O no hydrogen 2.814 N/A GLY 151.A N ARG 147.A O no hydrogen 2.988 N/A ARG 152.A NE GLU 149.A OE1 no hydrogen 3.117 N/A ILE 153.A N GLY 151.A O no hydrogen 2.340 N/A GLY 154.A N GLY 151.A O no hydrogen 3.427 N/A VAL 157.A N VAL 167.A O no hydrogen 3.303 N/A LEU 158.A N GLU 188.A O no hydrogen 2.784 N/A LEU 159.A N LYS 165.A O no hydrogen 3.035 N/A LYS 160.A N LEU 186.A O no hydrogen 3.127 N/A LYS 160.A NZ GLU 188.A OE1 no hydrogen 3.102 N/A LYS 165.A N LEU 159.A O no hydrogen 2.892 N/A LYS 165.A NZ SER 179.A OG no hydrogen 3.359 N/A VAL 167.A N VAL 157.A O no hydrogen 2.956 N/A LEU 173.A N GLU 170.A O no hydrogen 3.298 N/A ALA 174.A N ALA 171.A O no hydrogen 2.746 N/A LEU 177.A N ALA 174.A O no hydrogen 2.605 N/A SER 179.A N GLU 175.A O no hydrogen 3.040 N/A SER 179.A OG GLU 175.A O no hydrogen 2.926 N/A ALA 180.A N SER 178.A O no hydrogen 2.534 N/A GLN 181.A NE2 SER 178.A O no hydrogen 3.244 N/A ARG 184.A NH2 GLY 138.A O no hydrogen 3.498 N/A LEU 186.A N LYS 160.A O no hydrogen 3.221 N/A VAL 187.A N TYR 136.A O no hydrogen 3.235 N/A GLU 188.A N LEU 158.A O no hydrogen 2.831 N/A LYS 189.A N PRO 134.A O no hydrogen 2.718 N/A LYS 189.A NZ ILE 153.A O no hydrogen 2.972 N/A LEU 192.A N ASP 267.A OD2 no hydrogen 2.456 N/A ARG 195.A N LEU 266.A O no hydrogen 2.672 N/A ARG 195.A NE ASP 216.A OD1 no hydrogen 3.320 N/A ARG 195.A NH2 ASP 216.A OD1 no hydrogen 3.532 N/A VAL 197.A N PHE 264.A O no hydrogen 3.167 N/A GLU 198.A N ARG 215.A O no hydrogen 3.027 N/A ILE 199.A N VAL 262.A O no hydrogen 3.203 N/A GLN 200.A N ASN 213.A O no hydrogen 3.341 N/A GLN 200.A NE2 GLY 260.A O no hydrogen 2.913 N/A VAL 201.A N GLY 260.A O no hydrogen 2.650 N/A PHE 202.A N LEU 210.A O no hydrogen 3.066 N/A ALA 203.A N GLY 258.A O no hydrogen 3.358 N/A HIS 208.A N HIS 206.A O no hydrogen 2.697 N/A CYS 209.A SG PHE 202.A O no hydrogen 3.847 N/A LEU 212.A N GLN 200.A O no hydrogen 2.991 N/A ARG 215.A N GLU 198.A O no hydrogen 2.890 N/A ARG 215.A NE GLU 198.A OE1 no hydrogen 2.777 N/A ARG 215.A NH1 GLN 200.A OE1 no hydrogen 2.856 N/A ARG 215.A NH1 THR 288.A OG1 no hydrogen 2.939 N/A ARG 215.A NH2 GLU 198.A OE1 no hydrogen 2.921 N/A ASP 216.A N GLU 229.A O no hydrogen 2.838 N/A CYS 217.A N HIS 196.A O no hydrogen 3.217 N/A SER 218.A N ASP 216.A OD2 no hydrogen 3.383 N/A SER 218.A OG ASP 216.A OD1 no hydrogen 2.838 N/A SER 218.A OG ASP 216.A OD2 no hydrogen 2.932 N/A ARG 221.A N GLN 224.A O no hydrogen 3.234 N/A ARG 221.A NH1 GLU 330.A OE1 no hydrogen 3.146 N/A LYS 225.A NZ GLU 198.A OE1 no hydrogen 3.522 N/A LYS 225.A NZ GLU 198.A OE2 no hydrogen 2.565 N/A LYS 225.A NZ GLU 263.A OE2 no hydrogen 3.452 N/A LYS 225.A NZ GLU 284.A OE2 no hydrogen 3.504 N/A GLU 228.A N GLU 324.A O no hydrogen 3.192 N/A ALA 230.A N ALA 322.A O no hydrogen 2.900 N/A ALA 232.A N GLU 214.A OE2 no hydrogen 2.785 N/A ARG 240.A N GLY 236.A O no hydrogen 3.011 N/A MET 243.A N LEU 239.A O no hydrogen 3.146 N/A GLY 244.A N ARG 240.A O no hydrogen 2.652 N/A GLU 245.A N ARG 241.A O no hydrogen 3.142 N/A ALA 246.A N ALA 242.A O no hydrogen 3.150 N/A ALA 247.A N MET 243.A O no hydrogen 3.076 N/A ALA 250.A N ALA 246.A O no hydrogen 3.481 N/A ALA 251.A N ALA 247.A O no hydrogen 2.754 N/A GLN 252.A N VAL 248.A O no hydrogen 3.385 N/A ALA 253.A N ARG 249.A O no hydrogen 2.985 N/A GLY 255.A N GLN 252.A O no hydrogen 3.038 N/A TYR 256.A N ALA 251.A O no hydrogen 3.259 N/A TYR 256.A OH ALA 259.A O no hydrogen 2.411 N/A GLY 260.A N VAL 201.A O no hydrogen 2.916 N/A THR 261.A N ASN 278.A O no hydrogen 3.392 N/A VAL 262.A N ILE 199.A O no hydrogen 2.874 N/A GLU 263.A N GLU 276.A O no hydrogen 3.130 N/A PHE 264.A N VAL 197.A O no hydrogen 2.975 N/A LEU 265.A N PHE 273.A O no hydrogen 2.900 N/A LEU 266.A N ARG 195.A O no hydrogen 3.007 N/A ASP 267.A N GLN 271.A O no hydrogen 3.020 N/A GLU 268.A N LEU 192.A O no hydrogen 3.165 N/A ARG 269.A N ASP 267.A OD1 no hydrogen 2.512 N/A GLY 270.A N ASP 267.A O no hydrogen 2.821 N/A PHE 274.A N PRO 131.A O no hydrogen 3.110 N/A MET 275.A N GLU 263.A O no hydrogen 2.774 N/A ASN 278.A N THR 261.A O no hydrogen 3.210 N/A THR 279.A N GLU 89.A OE2 no hydrogen 3.354 N/A ARG 280.A NE GLU 89.A OE1 no hydrogen 2.973 N/A ARG 280.A NH1 LEU 281.A O no hydrogen 2.770 N/A ARG 280.A NH1 GLN 282.A OE1 no hydrogen 2.794 N/A ARG 280.A NH2 GLN 282.A OE1 no hydrogen 3.058 N/A VAL 283.A N GLN 282.A OE1 no hydrogen 2.763 N/A HIS 285.A N GLN 282.A O no hydrogen 3.065 N/A HIS 285.A ND1 GLN 282.A O no hydrogen 3.141 N/A THR 288.A N HIS 285.A O no hydrogen 3.094 N/A GLU 289.A N HIS 285.A O no hydrogen 3.191 N/A GLU 289.A N PRO 286.A O no hydrogen 2.938 N/A ALA 290.A N PRO 286.A O no hydrogen 2.962 N/A ILE 291.A N VAL 287.A O no hydrogen 3.357 N/A THR 292.A N THR 288.A O no hydrogen 3.383 N/A THR 292.A OG1 THR 288.A O no hydrogen 3.312 N/A THR 292.A OG1 GLU 289.A O no hydrogen 3.314 N/A GLY 293.A N THR 292.A OG1 no hydrogen 2.232 N/A LEU 294.A N THR 292.A OG1 no hydrogen 2.900 N/A LEU 296.A N GLU 289.A OE2 no hydrogen 2.774 N/A ALA 298.A N ASP 295.A OD2 no hydrogen 2.992 N/A TRP 299.A N ASP 295.A O no hydrogen 3.015 N/A GLN 300.A N LEU 296.A O no hydrogen 3.071 N/A ILE 301.A N VAL 297.A O no hydrogen 3.199 N/A ARG 302.A N TRP 299.A O no hydrogen 2.852 N/A VAL 303.A N TRP 299.A O no hydrogen 3.087 N/A ALA 304.A N GLN 300.A O no hydrogen 3.124 N/A ARG 305.A NH1 GLU 307.A OE1 no hydrogen 3.058 N/A GLY 306.A N ARG 302.A O no hydrogen 2.868 N/A LEU 309.A N ASP 204.A OD2 no hydrogen 2.385 N/A THR 312.A OG1 GLN 315.A OE1 no hydrogen 3.095 N/A GLN 313.A NE2 TYR 211.A O no hydrogen 3.349 N/A HIS 321.A N GLY 382.A O no hydrogen 3.363 N/A HIS 321.A NE2 GLU 229.A OE2 no hydrogen 3.136 N/A ALA 322.A N ALA 230.A O no hydrogen 2.939 N/A ILE 323.A N ALA 380.A O no hydrogen 3.141 N/A GLU 324.A N GLU 228.A O no hydrogen 2.687 N/A VAL 325.A N LEU 378.A O no hydrogen 2.968 N/A ARG 326.A N VAL 226.A O no hydrogen 3.297 N/A ARG 326.A NH1 TYR 328.A OH no hydrogen 2.965 N/A LEU 327.A N ALA 376.A O no hydrogen 2.801 N/A TYR 328.A N ASN 407.A OD1 no hydrogen 2.993 N/A ALA 329.A N PRO 373.A O no hydrogen 2.729 N/A SER 340.A OG PRO 338.A O no hydrogen 3.052 N/A SER 340.A OG ALA 339.A O no hydrogen 2.497 N/A LEU 343.A N ASP 365.A O no hydrogen 3.126 N/A MET 344.A N GLY 402.A O no hydrogen 3.008 N/A LEU 345.A N GLY 402.A O no hydrogen 2.982 N/A TYR 346.A N GLU 363.A OE1 no hydrogen 2.886 N/A TYR 346.A OH GLU 348.A OE1 no hydrogen 3.203 N/A ARG 347.A N SER 400.A O no hydrogen 2.860 N/A ARG 355.A N GLY 352.A O no hydrogen 3.125 N/A ARG 355.A NH1 GLU 398.A OE2 no hydrogen 3.208 N/A ARG 356.A N ILE 379.A O no hydrogen 2.726 N/A ARG 356.A NE ASP 358.A OD2 no hydrogen 2.764 N/A ARG 356.A NH1 GLU 289.A OE1 no hydrogen 3.148 N/A ARG 356.A NH2 GLU 289.A OE1 no hydrogen 3.229 N/A ARG 356.A NH2 ASP 358.A OD1 no hydrogen 2.663 N/A ARG 356.A NH2 ASP 358.A OD2 no hydrogen 3.419 N/A ASP 358.A N LYS 377.A O no hydrogen 3.058 N/A SER 359.A OG GLU 348.A OE1 no hydrogen 2.917 N/A GLY 360.A N LEU 375.A O no hydrogen 3.217 N/A ARG 362.A NE ASP 365.A OD2 no hydrogen 2.629 N/A GLY 364.A N LEU 343.A O no hydrogen 2.876 N/A ASP 365.A N ARG 362.A O no hydrogen 2.997 N/A GLU 366.A N ASP 365.A OD1 no hydrogen 3.063 N/A VAL 367.A N GLY 341.A O no hydrogen 3.239 N/A PHE 370.A N SER 368.A OG no hydrogen 2.845 N/A MET 374.A N ASP 372.A O no hydrogen 2.772 N/A MET 374.A N ASP 372.A OD2 no hydrogen 2.499 N/A LEU 375.A N LEU 327.A O no hydrogen 2.785 N/A ALA 376.A N LEU 327.A O no hydrogen 3.415 N/A LYS 377.A N ASP 358.A O no hydrogen 2.734 N/A LYS 377.A NZ GLU 14.A OE1 no hydrogen 3.155 N/A LYS 377.A NZ TYR 84.A OH no hydrogen 3.564 N/A LEU 378.A N VAL 325.A O no hydrogen 2.993 N/A ILE 379.A N ARG 356.A O no hydrogen 2.936 N/A ALA 380.A N ILE 323.A O no hydrogen 3.220 N/A TRP 381.A N GLY 354.A O no hydrogen 3.073 N/A GLY 382.A N HIS 321.A O no hydrogen 2.834 N/A GLU 383.A N GLU 383.A OE2 no hydrogen 2.446 N/A ARG 385.A NE GLU 229.A OE2 no hydrogen 2.775 N/A ARG 385.A NH1 ALA 421.A O no hydrogen 3.537 N/A ARG 385.A NH2 PHE 420.A O no hydrogen 3.341 N/A GLU 387.A N THR 384.A OG1 no hydrogen 2.855 N/A ARG 389.A N ARG 385.A O no hydrogen 2.944 N/A GLN 390.A N GLU 386.A O no hydrogen 2.694 N/A ARG 391.A N GLU 387.A O no hydrogen 2.965 N/A LEU 392.A N ALA 388.A O no hydrogen 2.703 N/A LEU 393.A N ARG 389.A O no hydrogen 2.862 N/A MET 395.A N ARG 391.A O no hydrogen 3.207 N/A LEU 396.A N LEU 392.A O no hydrogen 2.970 N/A ALA 397.A N LEU 393.A O no hydrogen 3.206 N/A ALA 397.A N ALA 394.A O no hydrogen 3.033 N/A GLU 398.A N ALA 394.A O no hydrogen 3.124 N/A THR 399.A N MET 395.A O no hydrogen 3.031 N/A THR 399.A OG1 MET 395.A O no hydrogen 3.274 N/A SER 400.A N ARG 347.A O no hydrogen 3.141 N/A SER 400.A OG GLU 540.A OE1 no hydrogen 3.192 N/A GLY 402.A N LEU 345.A O no hydrogen 2.814 N/A THR 406.A OG1 LEU 404.A O no hydrogen 3.319 N/A ASN 407.A N TYR 328.A O no hydrogen 3.267 N/A ASN 407.A ND2 ARG 326.A O no hydrogen 3.123 N/A LEU 411.A N ASN 407.A O no hydrogen 3.100 N/A ARG 412.A N LEU 408.A O no hydrogen 3.365 N/A ARG 413.A N ALA 409.A O no hydrogen 3.461 N/A ILE 414.A N PHE 410.A O no hydrogen 3.206 N/A ILE 414.A N LEU 411.A O no hydrogen 2.777 N/A LEU 415.A N LEU 411.A O no hydrogen 3.210 N/A ALA 419.A N HIS 417.A ND1 no hydrogen 2.743 N/A PHE 420.A N HIS 417.A O no hydrogen 2.905 N/A ALA 421.A N PRO 418.A O no hydrogen 3.133 N/A GLU 424.A N ALA 422.A O no hydrogen 2.580 N/A LEU 425.A N ALA 423.A O no hydrogen 2.297 N/A THR 427.A OG1 PRO 194.A O no hydrogen 3.168 N/A GLY 428.A N ASP 426.A OD2 no hydrogen 2.783 N/A PHE 429.A N ASP 426.A OD2 no hydrogen 2.986 N/A ALA 431.A N GLY 428.A O no hydrogen 2.523 N/A ARG 432.A N GLY 428.A O no hydrogen 2.843 N/A ARG 432.A NH1 ASP 426.A OD1 no hydrogen 3.339 N/A ARG 432.A NH2 ASP 426.A OD1 no hydrogen 3.109 N/A GLN 434.A N ALA 431.A O no hydrogen 2.966 N/A LEU 437.A N HIS 433.A O no hydrogen 3.220 N/A LEU 437.A N GLN 434.A O no hydrogen 3.316 N/A LEU 438.A N GLN 434.A O no hydrogen 3.098 N/A LEU 438.A N ASP 435.A O no hydrogen 3.018 N/A LEU 444.A N GLN 442.A O no hydrogen 2.579 N/A GLN 450.A N GLU 446.A O no hydrogen 2.827 N/A ALA 452.A N PHE 448.A O no hydrogen 3.065 N/A ALA 453.A N TRP 449.A O no hydrogen 2.787 N/A GLU 454.A N GLN 450.A O no hydrogen 2.911 N/A ALA 455.A N ALA 451.A O no hydrogen 2.658 N/A TRP 456.A N ALA 452.A O no hydrogen 3.062 N/A LEU 457.A N ALA 453.A O no hydrogen 3.039 N/A GLN 458.A N GLU 454.A O no hydrogen 3.075 N/A SER 459.A N TRP 456.A O no hydrogen 3.134 N/A SER 459.A OG ALA 455.A O no hydrogen 2.904 N/A SER 459.A OG TRP 456.A O no hydrogen 3.179 N/A SER 471.A N ASP 468.A O no hydrogen 3.175 N/A SER 471.A OG ASP 468.A OD2 no hydrogen 3.217 N/A SER 474.A OG SER 471.A O no hydrogen 3.108 N/A ARG 475.A N PRO 472.A O no hydrogen 3.234 N/A TRP 479.A N ASP 477.A OD1 no hydrogen 3.266 N/A ARG 485.A N HIS 504.A O no hydrogen 3.303 N/A GLU 486.A N GLY 478.A O no hydrogen 2.649 N/A SER 487.A N LEU 502.A O no hydrogen 3.187 N/A LEU 489.A N VAL 500.A O no hydrogen 3.355 N/A ARG 492.A NH1 ARG 494.A O no hydrogen 3.036 N/A CYS 493.A N GLU 496.A O no hydrogen 3.177 N/A CYS 493.A SG ALA 547.A O no hydrogen 3.623 N/A GLU 496.A N CYS 493.A O no hydrogen 3.015 N/A ARG 498.A N LEU 491.A O no hydrogen 3.040 N/A VAL 500.A N LEU 489.A O no hydrogen 2.846 N/A LEU 502.A N SER 487.A O no hydrogen 2.999 N/A ARG 503.A NE ASP 488.A OD1 no hydrogen 2.792 N/A ARG 503.A NH1 GLU 486.A OE2 no hydrogen 3.510 N/A ARG 503.A NH2 ASP 488.A OD1 no hydrogen 2.938 N/A ARG 503.A NH2 ASP 488.A OD2 no hydrogen 3.092 N/A SER 506.A OG SER 506.A O no hydrogen 2.481 N/A SER 508.A OG SER 506.A O no hydrogen 3.491 N/A ARG 511.A N VAL 518.A O no hydrogen 3.096 N/A ASP 513.A N ASP 516.A O no hydrogen 3.234 N/A ASP 516.A N ASP 513.A O no hydrogen 3.070 N/A LEU 517.A N SER 528.A O no hydrogen 2.763 N/A VAL 518.A N ARG 511.A O no hydrogen 3.051 N/A SER 519.A N ARG 526.A O no hydrogen 2.848 N/A ARG 520.A N GLN 509.A O no hydrogen 3.385 N/A ARG 526.A N SER 519.A O no hydrogen 2.859 N/A ARG 527.A NH1 ASP 516.A OD2 no hydrogen 3.545 N/A SER 528.A N LEU 517.A O no hydrogen 2.845 N/A SER 528.A OG ALA 529.A O no hydrogen 3.172 N/A SER 528.A OG GLU 540.A O no hydrogen 2.755 N/A ALA 530.A N ASP 515.A O no hydrogen 2.823 N/A LEU 531.A N PHE 538.A O no hydrogen 2.965 N/A ARG 532.A NE SER 459.A O no hydrogen 3.081 N/A ARG 532.A NH1 GLY 534.A O no hydrogen 3.195 N/A ARG 532.A NH2 TRP 456.A O no hydrogen 3.065 N/A ARG 533.A N GLN 536.A O no hydrogen 2.778 N/A ARG 533.A NE GLU 363.A OE2 no hydrogen 2.952 N/A ARG 533.A NH1 ARG 532.A O no hydrogen 2.995 N/A ARG 533.A NH2 GLU 363.A OE1 no hydrogen 3.228 N/A ARG 533.A NH2 GLU 363.A OE2 no hydrogen 3.241 N/A GLN 536.A N ARG 533.A O no hydrogen 3.376 N/A LEU 537.A N ILE 548.A O no hydrogen 2.975 N/A PHE 538.A N LEU 531.A O no hydrogen 2.685 N/A LEU 539.A N LEU 546.A O no hydrogen 2.893 N/A GLU 540.A N ALA 529.A O no hydrogen 3.122 N/A GLU 544.A N GLU 542.A O no hydrogen 2.773 N/A ILE 548.A N LEU 537.A O no hydrogen 3.120 N/A GLU 549.A N ARG 492.A O no hydrogen 2.658 N/A VAL 551.A N MET 490.A O no hydrogen 3.227 N/A SER 556.A OG THR 615.A O no hydrogen 3.312 N/A SER 562.A N GLU 584.A O no hydrogen 3.182 N/A VAL 564.A N VAL 582.A O no hydrogen 3.203 N/A VAL 582.A N ARG 565.A O no hydrogen 3.177 N/A LEU 583.A N HIS 590.A O no hydrogen 3.174 N/A HIS 590.A N LEU 583.A O no hydrogen 2.491 N/A ILE 592.A N VAL 581.A O no hydrogen 3.199 N/A VAL 600.A N GLN 572.A O no hydrogen 3.162 N/A LYS 601.A N GLU 619.A O no hydrogen 2.767 N/A LYS 601.A NZ LYS 601.A O no hydrogen 3.137 N/A TYR 604.A N LEU 617.A O no hydrogen 3.033 N/A CYS 605.A SG LEU 617.A O no hydrogen 3.678 N/A GLY 608.A N ILE 563.A O no hydrogen 2.733 N/A GLU 609.A N SER 606.A O no hydrogen 3.318 N/A VAL 611.A N GLU 609.A O no hydrogen 2.701 N/A GLU 612.A N THR 615.A OG1 no hydrogen 2.974 N/A GLU 613.A N GLU 612.A OE1 no hydrogen 3.407 N/A THR 615.A N GLU 612.A O no hydrogen 3.305 N/A THR 615.A OG1 GLU 612.A O no hydrogen 3.458 N/A LEU 620.A N GLY 553.A O no hydrogen 2.691 N/A