Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vra_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ASP 446.A OD2 no hydrogen 3.426 N/A GLN 2.A NE2 TYR 3.A O no hydrogen 2.978 N/A ILE 6.A N ILE 192.A O no hydrogen 2.452 N/A HIS 8.A N ARG 194.A O no hydrogen 2.834 N/A HIS 8.A NE2 HIS 193.A ND1 no hydrogen 3.026 N/A TYR 10.A N ARG 196.A O no hydrogen 2.519 N/A TYR 10.A OH THR 162.A OG1 no hydrogen 2.713 N/A VAL 12.A N LYS 34.A O no hydrogen 3.057 N/A VAL 13.A N ARG 199.A O no hydrogen 3.357 N/A ILE 14.A N ALA 36.A O no hydrogen 2.933 N/A ILE 15.A N ILE 201.A O no hydrogen 2.613 N/A GLY 16.A N ILE 14.A O no hydrogen 2.999 N/A GLY 19.A N THR 48.A OG1 no hydrogen 3.012 N/A LEU 22.A N GLY 18.A O no hydrogen 3.239 N/A ARG 23.A N GLY 19.A O no hydrogen 3.141 N/A ARG 23.A NH1 GLU 100.A OE2 no hydrogen 2.806 N/A ARG 23.A NH2 ARG 23.A O no hydrogen 3.217 N/A ALA 24.A N ALA 20.A O no hydrogen 3.238 N/A ALA 25.A N GLY 21.A O no hydrogen 3.312 N/A MET 26.A N LEU 22.A O no hydrogen 2.927 N/A GLY 27.A N ARG 23.A O no hydrogen 3.177 N/A GLY 27.A N ALA 24.A O no hydrogen 2.899 N/A LEU 28.A N ALA 24.A O no hydrogen 2.807 N/A GLY 29.A N ALA 25.A O no hydrogen 2.765 N/A ALA 31.A N GLY 27.A O no hydrogen 2.976 N/A PHE 33.A N LEU 28.A O no hydrogen 3.166 N/A LYS 34.A N ASP 11.A OD1 no hydrogen 2.900 N/A LYS 34.A NZ ALA 9.A O no hydrogen 3.143 N/A THR 35.A OG1 PHE 33.A O no hydrogen 3.028 N/A ALA 36.A N VAL 12.A O no hydrogen 2.996 N/A VAL 37.A N THR 162.A O no hydrogen 3.477 N/A VAL 38.A N ILE 14.A O no hydrogen 2.917 N/A THR 39.A OG1 MET 41.A O no hydrogen 2.182 N/A LYS 40.A NZ MET 219.A O no hydrogen 2.708 N/A LYS 40.A NZ ASP 223.A OD2 no hydrogen 2.453 N/A LYS 40.A NZ GLU 516.A OE1 no hydrogen 3.355 N/A MET 41.A N THR 39.A OG1 no hydrogen 2.835 N/A ARG 45.A N PHE 42.A O no hydrogen 2.675 N/A SER 46.A OG ALA 17.A O no hydrogen 3.101 N/A SER 46.A OG PRO 43.A O no hydrogen 3.489 N/A THR 49.A N SER 46.A O no hydrogen 3.124 N/A ALA 50.A N HIS 47.A O no hydrogen 2.486 N/A ALA 51.A N THR 48.A O no hydrogen 3.097 N/A GLN 52.A NE2 LEU 254.A O no hydrogen 3.387 N/A ILE 55.A N CYS 138.A O no hydrogen 2.702 N/A ASN 56.A N ALA 403.A O no hydrogen 3.226 N/A ALA 57.A N ARG 136.A O no hydrogen 2.895 N/A LEU 59.A N GLN 118.A OE1 no hydrogen 3.458 N/A SER 61.A OG ILE 116.A O no hydrogen 2.886 N/A LYS 68.A N ASP 66.A OD2 no hydrogen 3.060 N/A TRP 69.A N ASP 66.A O no hydrogen 2.739 N/A PHE 71.A N TRP 67.A O no hydrogen 3.210 N/A TYR 72.A N LYS 68.A O no hydrogen 2.827 N/A ASP 73.A N TRP 69.A O no hydrogen 3.070 N/A THR 74.A N HIS 70.A O no hydrogen 3.102 N/A THR 74.A OG1 HIS 70.A O no hydrogen 2.271 N/A ALA 75.A N PHE 71.A O no hydrogen 3.059 N/A LYS 76.A N TYR 72.A O no hydrogen 2.956 N/A GLY 77.A N ASP 73.A O no hydrogen 2.892 N/A SER 78.A N ALA 75.A O no hydrogen 2.790 N/A SER 78.A OG ALA 75.A O no hydrogen 2.131 N/A ASP 79.A N LYS 76.A O no hydrogen 2.776 N/A TRP 80.A N SER 78.A OG no hydrogen 3.189 N/A TRP 80.A NE1 ILE 606.A O no hydrogen 2.989 N/A LEU 81.A N SER 78.A O no hydrogen 3.267 N/A GLN 84.A N ILE 594.A O no hydrogen 3.118 N/A GLN 84.A NE2 ILE 606.A O no hydrogen 3.602 N/A MET 87.A N ASP 83.A O no hydrogen 3.210 N/A HIS 88.A N GLN 84.A O no hydrogen 2.793 N/A TYR 89.A N ASN 85.A O no hydrogen 3.045 N/A LEU 90.A N ALA 86.A O no hydrogen 2.995 N/A THR 91.A N MET 87.A O no hydrogen 2.935 N/A THR 91.A OG1 MET 87.A O no hydrogen 3.399 N/A ARG 92.A N HIS 88.A O no hydrogen 3.199 N/A ARG 92.A NH1 GLU 602.A OE1 no hydrogen 3.145 N/A ASN 93.A N TYR 89.A O no hydrogen 3.146 N/A ALA 94.A N LEU 90.A O no hydrogen 3.198 N/A GLU 96.A N ASN 93.A O no hydrogen 2.803 N/A ALA 97.A N ASN 93.A O no hydrogen 2.807 N/A VAL 98.A N ALA 94.A O no hydrogen 3.061 N/A GLU 100.A N GLU 96.A O no hydrogen 2.735 N/A LEU 101.A N ALA 97.A O no hydrogen 3.281 N/A GLU 102.A N VAL 98.A O no hydrogen 3.334 N/A ASN 103.A N THR 99.A O no hydrogen 3.055 N/A PHE 104.A N GLU 100.A O no hydrogen 2.740 N/A GLY 105.A N LEU 101.A O no hydrogen 2.741 N/A MET 106.A N LEU 101.A O no hydrogen 3.280 N/A PHE 108.A N MET 106.A O no hydrogen 2.671 N/A SER 109.A N CYS 139.A O no hydrogen 3.424 N/A ARG 110.A NH1 PHE 108.A O no hydrogen 3.187 N/A THR 111.A N LYS 115.A O no hydrogen 3.080 N/A GLY 114.A N THR 111.A O no hydrogen 2.753 N/A LYS 115.A N THR 111.A OG1 no hydrogen 3.098 N/A TYR 117.A N SER 109.A O no hydrogen 2.462 N/A TYR 117.A OH GLU 262.A OE1 no hydrogen 3.234 N/A TYR 117.A OH GLU 262.A OE2 no hydrogen 3.013 N/A ARG 119.A N THR 137.A O no hydrogen 2.845 N/A ARG 119.A NE GLU 262.A OE1 no hydrogen 2.903 N/A ARG 119.A NH1 GLU 262.A OE1 no hydrogen 3.515 N/A ARG 119.A NH2 GLY 53.A O no hydrogen 2.711 N/A SER 120.A OG ALA 134.A O no hydrogen 2.416 N/A GLY 122.A N GLU 257.A OE1 no hydrogen 3.034 N/A SER 125.A N ASP 73.A OD2 no hydrogen 2.491 N/A ASN 127.A ND2 LYS 130.A O no hydrogen 3.244 N/A LYS 130.A N ASN 126.A O no hydrogen 3.124 N/A ALA 134.A N GLN 124.A O no hydrogen 3.021 N/A ARG 136.A NE GLN 124.A OE1 no hydrogen 3.335 N/A ARG 136.A NH1 ASP 65.A OD1 no hydrogen 2.706 N/A ARG 136.A NH1 ASP 65.A OD2 no hydrogen 3.316 N/A ARG 136.A NH2 ASP 73.A OD2 no hydrogen 2.725 N/A ARG 136.A NH2 GLN 124.A OE1 no hydrogen 3.503 N/A THR 137.A N ARG 119.A O no hydrogen 3.206 N/A THR 137.A OG1 ARG 119.A O no hydrogen 3.254 N/A CYS 138.A N ILE 55.A O no hydrogen 2.594 N/A CYS 139.A SG ALA 141.A O no hydrogen 3.508 N/A ARG 143.A N VAL 140.A O no hydrogen 3.291 N/A THR 144.A N GLN 52.A O no hydrogen 3.289 N/A THR 144.A OG1 GLN 52.A O no hydrogen 3.093 N/A GLY 145.A N ALA 51.A O no hydrogen 2.793 N/A HIS 146.A N ARG 143.A O no hydrogen 3.125 N/A SER 147.A N ARG 143.A O no hydrogen 3.461 N/A MET 148.A N THR 144.A O no hydrogen 3.066 N/A LEU 149.A N GLY 145.A O no hydrogen 3.050 N/A HIS 150.A N HIS 146.A O no hydrogen 3.026 N/A THR 151.A N SER 147.A O no hydrogen 3.014 N/A THR 151.A OG1 SER 147.A O no hydrogen 2.527 N/A LEU 152.A N MET 148.A O no hydrogen 2.635 N/A GLY 154.A N HIS 150.A O no hydrogen 2.905 N/A ASN 155.A N THR 151.A O no hydrogen 2.947 N/A ASN 155.A ND2 PHE 104.A O no hydrogen 3.689 N/A ASN 155.A ND2 THR 151.A O no hydrogen 3.084 N/A SER 156.A N TYR 153.A O no hydrogen 2.831 N/A SER 156.A OG TYR 153.A O no hydrogen 2.358 N/A LEU 157.A N GLY 154.A O no hydrogen 3.053 N/A ARG 158.A NH1 ASN 155.A OD1 no hydrogen 3.096 N/A ARG 158.A NH2 ASN 155.A OD1 no hydrogen 3.140 N/A CYS 159.A SG ALA 25.A O no hydrogen 3.901 N/A CYS 159.A SG MET 26.A O no hydrogen 3.623 N/A CYS 159.A SG ASN 155.A O no hydrogen 3.746 N/A CYS 159.A SG SER 156.A O no hydrogen 3.983 N/A CYS 161.A SG ALA 25.A O no hydrogen 3.372 N/A CYS 161.A SG SER 156.A O no hydrogen 3.820 N/A CYS 161.A SG CYS 159.A O no hydrogen 2.896 N/A THR 162.A OG1 TYR 10.A OH no hydrogen 2.713 N/A PHE 164.A N VAL 37.A O no hydrogen 2.635 N/A GLU 166.A N THR 39.A O no hydrogen 2.619 N/A TYR 167.A N THR 39.A O no hydrogen 3.301 N/A PHE 168.A N LEU 185.A O no hydrogen 2.708 N/A LEU 170.A N ILE 183.A O no hydrogen 2.849 N/A LEU 173.A N GLY 181.A O no hydrogen 2.595 N/A ASP 175.A N ARG 178.A O no hydrogen 3.367 N/A LYS 176.A NZ ASP 175.A OD1 no hydrogen 3.480 N/A ARG 178.A NH1 GLU 428.A OE2 no hydrogen 3.255 N/A CYS 179.A N PRO 382.A O no hydrogen 3.044 N/A CYS 179.A SG LEU 173.A O no hydrogen 3.819 N/A CYS 179.A SG GLY 181.A O no hydrogen 4.033 N/A CYS 179.A SG THR 200.A OG1 no hydrogen 3.538 N/A VAL 180.A N LEU 173.A O no hydrogen 3.198 N/A ILE 183.A N ASP 171.A O no hydrogen 3.034 N/A ALA 184.A N HIS 193.A O no hydrogen 2.904 N/A LEU 185.A N PHE 168.A O no hydrogen 3.091 N/A CYS 186.A N THR 191.A O no hydrogen 2.749 N/A CYS 186.A SG ASP 189.A OD2 no hydrogen 3.480 N/A LEU 187.A N GLU 166.A O no hydrogen 3.116 N/A ASP 189.A N CYS 186.A O no hydrogen 3.409 N/A THR 191.A N ASP 189.A OD2 no hydrogen 3.292 N/A THR 191.A OG1 ASP 189.A OD2 no hydrogen 2.473 N/A THR 191.A OG1 HIS 193.A NE2 no hydrogen 2.984 N/A ILE 192.A N LYS 4.A O no hydrogen 2.827 N/A HIS 193.A N ALA 184.A O no hydrogen 2.931 N/A HIS 193.A ND1 HIS 8.A NE2 no hydrogen 3.026 N/A HIS 193.A NE2 THR 191.A OG1 no hydrogen 2.984 N/A ARG 194.A N ILE 6.A O no hydrogen 2.670 N/A PHE 195.A N VAL 182.A O no hydrogen 2.986 N/A ARG 196.A N HIS 8.A O no hydrogen 3.084 N/A SER 197.A N VAL 180.A O no hydrogen 2.344 N/A SER 197.A OG ARG 199.A O no hydrogen 2.545 N/A LYS 198.A N TYR 10.A O no hydrogen 3.389 N/A LYS 198.A NZ GLU 428.A O no hydrogen 3.509 N/A ARG 199.A N ASP 11.A O no hydrogen 3.158 N/A ARG 199.A NH1 GLU 423.A OE2 no hydrogen 2.958 N/A ARG 199.A NH2 GLU 423.A OE2 no hydrogen 2.699 N/A THR 200.A OG1 GLY 383.A O no hydrogen 3.202 N/A ILE 201.A N VAL 13.A O no hydrogen 2.845 N/A VAL 202.A N TYR 385.A O no hydrogen 3.319 N/A ALA 203.A N ILE 15.A O no hydrogen 2.949 N/A THR 204.A OG1 GLY 205.A O no hydrogen 3.470 N/A TYR 207.A OH THR 527.A OG1 no hydrogen 3.202 N/A ALA 210.A N TYR 207.A O no hydrogen 2.742 N/A TYR 211.A N GLY 208.A O no hydrogen 2.931 N/A SER 213.A N GLN 469.A OE1 no hydrogen 2.708 N/A CYS 214.A SG THR 216.A OG1 no hydrogen 3.075 N/A THR 215.A N VAL 354.A O no hydrogen 2.919 N/A THR 215.A OG1 VAL 354.A O no hydrogen 3.235 N/A THR 215.A OG1 HIS 355.A ND1 no hydrogen 2.610 N/A ASN 220.A N ALA 217.A O no hydrogen 2.937 N/A THR 221.A N MET 219.A O no hydrogen 2.723 N/A THR 221.A OG1 MET 219.A O no hydrogen 3.333 N/A THR 221.A OG1 ASP 223.A OD1 no hydrogen 3.027 N/A THR 221.A OG1 ASP 223.A OD2 no hydrogen 3.320 N/A GLY 224.A N THR 204.A OG1 no hydrogen 3.160 N/A THR 225.A OG1 GLY 222.A O no hydrogen 3.154 N/A THR 225.A OG1 ASN 523.A OD1 no hydrogen 3.155 N/A LEU 227.A N ASP 223.A O no hydrogen 2.760 N/A ALA 228.A N GLY 224.A O no hydrogen 3.149 N/A THR 229.A N THR 225.A O no hydrogen 3.181 N/A ARG 230.A N ALA 226.A O no hydrogen 2.683 N/A ARG 230.A NE ASP 171.A OD1 no hydrogen 3.457 N/A ARG 230.A NE ASP 171.A OD2 no hydrogen 3.079 N/A ARG 230.A NH2 LEU 170.A O no hydrogen 3.328 N/A GLY 232.A N THR 229.A O no hydrogen 3.166 N/A ILE 233.A N ALA 228.A O no hydrogen 2.749 N/A LEU 235.A N THR 577.A O no hydrogen 2.910 N/A GLU 236.A N GLY 360.A O no hydrogen 3.038 N/A ASP 237.A N THR 575.A O no hydrogen 3.091 N/A GLU 239.A N GLU 239.A OE1 no hydrogen 3.089 N/A PHE 240.A N ASP 237.A O no hydrogen 2.731 N/A GLN 242.A NE2 ARG 400.A O no hydrogen 3.297 N/A HIS 244.A N THR 353.A O no hydrogen 2.804 N/A THR 246.A N HIS 244.A ND1 no hydrogen 3.144 N/A THR 246.A OG1 ILE 255.A O no hydrogen 2.908 N/A GLY 247.A N ILE 351.A O no hydrogen 3.311 N/A ILE 248.A N CYS 253.A O no hydrogen 3.363 N/A TYR 249.A N PRO 349.A O no hydrogen 3.005 N/A ILE 255.A N THR 246.A O no hydrogen 2.976 N/A GLY 258.A N THR 256.A OG1 no hydrogen 2.852 N/A SER 259.A OG THR 256.A O no hydrogen 2.390 N/A ARG 260.A N GLU 257.A O no hydrogen 3.040 N/A ARG 260.A NE ASP 284.A O no hydrogen 3.057 N/A GLU 262.A N GLY 258.A O no hydrogen 3.011 N/A GLY 263.A N ARG 260.A O no hydrogen 2.960 N/A GLY 264.A N SER 259.A O no hydrogen 2.997 N/A PHE 265.A N GLN 315.A O no hydrogen 3.281 N/A LEU 266.A N ASP 284.A OD2 no hydrogen 2.705 N/A VAL 267.A N TYR 313.A O no hydrogen 3.118 N/A ASN 268.A ND2 GLU 298.A OE2 no hydrogen 3.493 N/A SER 269.A OG GLU 270.A OE1 no hydrogen 2.657 N/A GLU 270.A N GLU 270.A OE1 no hydrogen 3.235 N/A GLU 272.A N ASN 268.A OD1 no hydrogen 2.704 N/A ARG 273.A NE ASP 284.A OD1 no hydrogen 2.882 N/A ARG 273.A NH2 ASP 284.A OD1 no hydrogen 2.589 N/A GLU 276.A N ARG 273.A O no hydrogen 2.733 N/A ARG 277.A NH1 GLU 272.A OE2 no hydrogen 2.731 N/A ARG 277.A NH2 GLU 298.A OE1 no hydrogen 3.560 N/A TYR 278.A OH GLU 298.A OE1 no hydrogen 3.207 N/A ALA 279.A N MET 275.A O no hydrogen 3.000 N/A ALA 282.A N TYR 613.A O no hydrogen 3.349 N/A LYS 283.A N ALA 279.A O no hydrogen 2.782 N/A LYS 283.A NZ GLU 276.A OE1 no hydrogen 3.365 N/A LEU 285.A N ALA 282.A O no hydrogen 3.026 N/A SER 287.A OG ASP 289.A OD1 no hydrogen 2.548 N/A ARG 288.A NE GLN 242.A OE1 no hydrogen 3.057 N/A ARG 288.A NH1 GLN 242.A OE1 no hydrogen 3.040 N/A VAL 290.A N SER 287.A O no hydrogen 3.129 N/A VAL 291.A N SER 287.A O no hydrogen 3.061 N/A SER 292.A N ARG 288.A O no hydrogen 2.871 N/A SER 292.A OG PHE 243.A O no hydrogen 3.156 N/A SER 292.A OG ARG 288.A O no hydrogen 3.463 N/A ALA 294.A N VAL 290.A O no hydrogen 2.961 N/A GLU 295.A N VAL 291.A O no hydrogen 2.885 N/A THR 296.A N SER 292.A O no hydrogen 3.331 N/A THR 296.A OG1 SER 292.A O no hydrogen 3.039 N/A ILE 297.A N ARG 293.A O no hydrogen 3.359 N/A MET 300.A N THR 296.A O no hydrogen 3.389 N/A GLU 301.A N ILE 297.A O no hydrogen 2.947 N/A GLY 302.A N ILE 299.A O no hydrogen 2.540 N/A ARG 303.A N GLU 298.A O no hydrogen 2.918 N/A ARG 303.A NH2 GLU 301.A OE2 no hydrogen 3.070 N/A VAL 305.A N HIS 311.A O no hydrogen 2.928 N/A LYS 309.A NZ GLY 302.A O no hydrogen 2.950 N/A HIS 311.A ND1 ASP 310.A OD1 no hydrogen 2.672 N/A ILE 312.A N VAL 350.A O no hydrogen 2.959 N/A TYR 313.A N VAL 267.A O no hydrogen 3.300 N/A LEU 314.A N ILE 348.A O no hydrogen 2.962 N/A GLN 315.A N PHE 265.A O no hydrogen 3.081 N/A GLN 315.A NE2 HIS 318.A ND1 no hydrogen 3.426 N/A HIS 318.A NE2 GLY 263.A O no hydrogen 3.024 N/A LEU 319.A N LEU 316.A O no hydrogen 3.052 N/A GLN 323.A N PRO 320.A O no hydrogen 2.731 N/A LEU 324.A N PRO 320.A O no hydrogen 3.263 N/A GLN 326.A NE2 GLU 322.A O no hydrogen 2.986 N/A ARG 327.A N GLN 323.A O no hydrogen 2.916 N/A ILE 331.A N ASP 142.A OD2 no hydrogen 2.913 N/A SER 332.A N LEU 328.A O no hydrogen 3.275 N/A SER 332.A OG LEU 324.A O no hydrogen 3.396 N/A SER 332.A OG LEU 328.A O no hydrogen 3.088 N/A THR 334.A N GLY 330.A O no hydrogen 3.410 N/A THR 334.A OG1 GLY 330.A O no hydrogen 2.932 N/A ALA 335.A N ILE 331.A O no hydrogen 3.346 N/A LYS 336.A N SER 332.A O no hydrogen 3.352 N/A ILE 337.A N GLU 333.A O no hydrogen 2.594 N/A PHE 338.A N ALA 335.A O no hydrogen 3.144 N/A ALA 339.A N ALA 335.A O no hydrogen 2.821 N/A THR 344.A N ASP 342.A OD1 no hydrogen 2.910 N/A THR 344.A OG1 ASP 342.A OD1 no hydrogen 2.402 N/A LYS 345.A N ASP 342.A O no hydrogen 2.871 N/A GLU 346.A N ASP 342.A O no hydrogen 3.319 N/A ILE 348.A N LEU 314.A O no hydrogen 2.811 N/A VAL 350.A N ILE 312.A O no hydrogen 2.889 N/A ILE 351.A N GLY 247.A O no hydrogen 2.940 N/A THR 353.A N HIS 244.A O no hydrogen 2.983 N/A THR 353.A OG1 ILE 351.A O no hydrogen 2.878 N/A VAL 354.A N SER 213.A O no hydrogen 3.279 N/A HIS 355.A N GLN 242.A O no hydrogen 2.961 N/A HIS 355.A ND1 THR 215.A OG1 no hydrogen 2.610 N/A TYR 356.A N GLN 242.A O no hydrogen 3.397 N/A TYR 356.A OH HIS 396.A NE2 no hydrogen 3.146 N/A TYR 356.A OH ASP 408.A OD2 no hydrogen 2.954 N/A ASN 357.A ND2 GLU 389.A OE2 no hydrogen 3.422 N/A MET 358.A N PHE 240.A O no hydrogen 3.193 N/A GLY 360.A N GLU 236.A O no hydrogen 3.246 N/A ILE 361.A N CYS 390.A O no hydrogen 3.243 N/A THR 363.A OG1 HIS 393.A ND1 no hydrogen 2.568 N/A ASN 364.A N GLN 368.A O no hydrogen 3.122 N/A ASN 364.A ND2 GLN 368.A OE1 no hydrogen 3.357 N/A LYS 366.A N ASN 364.A OD1 no hydrogen 3.226 N/A ALA 367.A N ASN 364.A O no hydrogen 2.665 N/A GLN 368.A N ASN 364.A OD1 no hydrogen 3.384 N/A GLN 368.A NE2 TYR 385.A OH no hydrogen 2.996 N/A VAL 369.A N LEU 384.A O no hydrogen 3.320 N/A ILE 370.A N PRO 362.A O no hydrogen 3.043 N/A LYS 371.A N LYS 379.A O no hydrogen 3.167 N/A LYS 371.A NZ GLY 232.A O no hydrogen 2.874 N/A GLY 377.A N GLU 375.A O no hydrogen 2.780 N/A LYS 379.A NZ GLY 376.A O no hydrogen 3.253 N/A VAL 381.A N VAL 369.A O no hydrogen 3.159 N/A TYR 385.A N THR 200.A O no hydrogen 2.955 N/A ALA 386.A N ALA 367.A O no hydrogen 3.402 N/A CYS 390.A SG VAL 202.A O no hydrogen 2.972 N/A CYS 390.A SG CYS 387.A O no hydrogen 3.519 N/A ALA 391.A N GLY 388.A O no hydrogen 2.567 N/A CYS 392.A N ILE 361.A O no hydrogen 2.969 N/A CYS 392.A SG GLU 236.A O no hydrogen 3.874 N/A CYS 392.A SG GLU 236.A OE1 no hydrogen 3.173 N/A CYS 392.A SG SER 394.A OG no hydrogen 3.471 N/A HIS 393.A ND1 THR 363.A OG1 no hydrogen 2.568 N/A GLY 397.A N SER 394.A OG no hydrogen 2.862 N/A ALA 398.A N SER 78.A O no hydrogen 2.779 N/A ARG 400.A NE LEU 401.A O no hydrogen 3.017 N/A ASN 404.A N LEU 401.A O no hydrogen 3.175 N/A ASN 404.A ND2 HIS 70.A NE2 no hydrogen 3.164 N/A ASP 408.A N ASN 404.A O no hydrogen 2.794 N/A ALA 409.A N SER 405.A O no hydrogen 3.138 N/A ALA 409.A N LEU 406.A O no hydrogen 3.300 N/A VAL 410.A N LEU 406.A O no hydrogen 3.024 N/A VAL 411.A N LEU 407.A O no hydrogen 2.767 N/A GLY 413.A N ALA 409.A O no hydrogen 2.675 N/A ARG 414.A N VAL 410.A O no hydrogen 3.132 N/A ARG 414.A NH1 GLU 100.A OE1 no hydrogen 2.818 N/A ALA 415.A N VAL 411.A O no hydrogen 2.755 N/A CYS 416.A N GLY 413.A O no hydrogen 3.145 N/A CYS 416.A SG PHE 412.A O no hydrogen 3.219 N/A SER 417.A OG ARG 414.A O no hydrogen 3.521 N/A ILE 418.A N ARG 414.A O no hydrogen 2.988 N/A LYS 421.A N SER 417.A O no hydrogen 3.455 N/A GLU 439.A N GLY 436.A O no hydrogen 2.853 N/A SER 441.A N GLY 438.A O no hydrogen 2.615 N/A ILE 442.A N GLY 438.A O no hydrogen 3.117 N/A ALA 443.A N GLU 439.A O no hydrogen 3.021 N/A ASN 444.A N GLU 440.A O no hydrogen 3.303 N/A LEU 445.A N SER 441.A O no hydrogen 3.282 N/A ASP 446.A N ILE 442.A O no hydrogen 2.864 N/A ALA 447.A N ALA 443.A O no hydrogen 3.011 N/A VAL 448.A N ASN 444.A O no hydrogen 2.863 N/A ARG 449.A N LEU 445.A O no hydrogen 2.800 N/A ARG 449.A NE ARG 503.A O no hydrogen 2.669 N/A ARG 449.A NH1 TYR 3.A OH no hydrogen 3.183 N/A TYR 450.A N ASP 446.A O no hydrogen 3.050 N/A ALA 451.A N VAL 448.A O no hydrogen 3.075 N/A ASP 454.A N ARG 497.A O no hydrogen 2.783 N/A VAL 455.A N ARG 497.A O no hydrogen 2.821 N/A THR 457.A N LYS 499.A O no hydrogen 3.283 N/A THR 457.A OG1 SER 514.A OG no hydrogen 2.686 N/A LEU 460.A N PRO 456.A O no hydrogen 3.127 N/A LEU 462.A N ALA 458.A O no hydrogen 3.245 N/A THR 463.A N GLU 459.A O no hydrogen 3.007 N/A THR 463.A OG1 LEU 460.A O no hydrogen 3.147 N/A MET 464.A N LEU 460.A O no hydrogen 2.938 N/A GLN 465.A N ARG 461.A O no hydrogen 2.724 N/A LYS 466.A N LEU 462.A O no hydrogen 2.961 N/A THR 467.A N THR 463.A O no hydrogen 2.880 N/A THR 467.A OG1 MET 464.A O no hydrogen 2.865 N/A MET 468.A N MET 464.A O no hydrogen 2.684 N/A GLN 469.A N GLN 465.A O no hydrogen 2.986 N/A LYS 470.A N LYS 466.A O no hydrogen 3.185 N/A LYS 470.A N THR 467.A O no hydrogen 2.530 N/A HIS 471.A N THR 467.A O no hydrogen 2.939 N/A ALA 472.A N MET 468.A O no hydrogen 3.208 N/A ARG 476.A N ALA 542.A O no hydrogen 3.211 N/A ARG 476.A NE ALA 472.A O no hydrogen 3.076 N/A ARG 477.A NH1 ASP 479.A OD1 no hydrogen 3.410 N/A LEU 481.A N ARG 477.A O no hydrogen 2.981 N/A ALA 482.A N GLY 478.A O no hydrogen 3.172 N/A GLY 484.A N ILE 480.A O no hydrogen 2.907 N/A VAL 485.A N LEU 481.A O no hydrogen 2.801 N/A LYS 486.A N GLU 483.A O no hydrogen 2.996 N/A LYS 486.A NZ ASP 490.A OD2 no hydrogen 3.121 N/A LYS 487.A N GLU 483.A O no hydrogen 2.876 N/A LYS 487.A NZ HIS 471.A NE2 no hydrogen 2.980 N/A MET 488.A N GLY 484.A O no hydrogen 2.817 N/A ASP 490.A N LYS 486.A O no hydrogen 3.234 N/A ASP 490.A N LYS 487.A O no hydrogen 2.731 N/A LEU 491.A N LYS 487.A O no hydrogen 3.130 N/A SER 492.A N MET 488.A O no hydrogen 3.136 N/A SER 492.A OG SER 492.A O no hydrogen 2.516 N/A LYS 493.A N ASP 490.A O no hydrogen 3.290 N/A LYS 496.A N LYS 493.A O no hydrogen 2.657 N/A ARG 497.A N GLU 494.A O no hydrogen 2.572 N/A ARG 497.A NE ASP 454.A OD1 no hydrogen 3.200 N/A ARG 497.A NE ASP 454.A OD2 no hydrogen 3.401 N/A THR 500.A N ALA 451.A O no hydrogen 3.245 N/A THR 500.A OG1 VAL 448.A O no hydrogen 3.354 N/A THR 500.A OG1 ARG 449.A O no hydrogen 2.970 N/A THR 500.A OG1 ALA 451.A O no hydrogen 3.277 N/A THR 501.A N ASP 510.A OD2 no hydrogen 2.865 N/A ASP 502.A N ASP 510.A OD2 no hydrogen 3.239 N/A ARG 503.A NH2 ARG 449.A O no hydrogen 3.463 N/A ARG 503.A NH2 ALA 451.A O no hydrogen 3.297 N/A ARG 503.A NH2 THR 500.A OG1 no hydrogen 2.510 N/A SER 504.A OG ASP 502.A OD2 no hydrogen 2.843 N/A TRP 507.A N LEU 187.A O no hydrogen 2.643 N/A TRP 507.A NE1 GLU 166.A OE1 no hydrogen 2.954 N/A ASN 508.A ND2 ASP 502.A O no hydrogen 2.746 N/A ASN 508.A ND2 SER 504.A O no hydrogen 2.465 N/A SER 509.A OG GLU 513.A OE1 no hydrogen 3.482 N/A LEU 511.A N ASN 508.A OD1 no hydrogen 3.482 N/A THR 512.A N ASN 508.A O no hydrogen 2.946 N/A THR 512.A OG1 SER 509.A O no hydrogen 3.560 N/A GLU 513.A N SER 509.A O no hydrogen 3.056 N/A SER 514.A N ASP 510.A O no hydrogen 3.045 N/A SER 514.A OG ASP 510.A O no hydrogen 3.323 N/A LEU 515.A N LEU 511.A O no hydrogen 3.009 N/A GLU 516.A N THR 512.A O no hydrogen 2.679 N/A LEU 517.A N GLU 513.A O no hydrogen 2.857 N/A LEU 517.A N SER 514.A O no hydrogen 3.205 N/A GLN 518.A N SER 514.A O no hydrogen 2.995 N/A ASN 519.A N LEU 515.A O no hydrogen 3.058 N/A LEU 520.A N GLU 516.A O no hydrogen 3.195 N/A MET 521.A N LEU 517.A O no hydrogen 2.892 N/A ASN 523.A N ASN 519.A O no hydrogen 3.015 N/A ASN 523.A ND2 GLY 222.A O no hydrogen 2.818 N/A ASN 523.A ND2 ASN 519.A O no hydrogen 3.476 N/A ALA 524.A N LEU 520.A O no hydrogen 2.761 N/A THR 525.A N MET 521.A O no hydrogen 2.872 N/A THR 525.A OG1 MET 521.A O no hydrogen 2.762 N/A THR 525.A OG1 LEU 522.A O no hydrogen 3.513 N/A THR 525.A OG1 GLN 579.A OE1 no hydrogen 3.544 N/A GLN 526.A NE2 THR 229.A OG1 no hydrogen 3.166 N/A GLN 526.A NE2 GLN 579.A OE1 no hydrogen 2.639 N/A THR 527.A N ASN 523.A O no hydrogen 3.112 N/A THR 527.A OG1 TYR 207.A OH no hydrogen 3.202 N/A THR 527.A OG1 ASN 523.A O no hydrogen 2.959 N/A ILE 528.A N ALA 524.A O no hydrogen 3.221 N/A VAL 529.A N THR 525.A O no hydrogen 3.082 N/A ALA 530.A N GLN 526.A O no hydrogen 3.354 N/A ALA 531.A N THR 527.A O no hydrogen 3.089 N/A GLU 532.A N ILE 528.A O no hydrogen 2.730 N/A ASN 533.A N VAL 529.A O no hydrogen 3.196 N/A ASN 533.A ND2 TYR 590.A OH no hydrogen 2.659 N/A ARG 534.A N ALA 530.A O no hydrogen 3.060 N/A ARG 534.A NE GLU 239.A OE2 no hydrogen 2.741 N/A ARG 534.A NH1 GLU 536.A OE2 no hydrogen 2.747 N/A ARG 534.A NH2 LYS 573.A O no hydrogen 2.982 N/A ARG 534.A NH2 THR 575.A OG1 no hydrogen 2.532 N/A SER 537.A OG ARG 543.A O no hydrogen 2.875 N/A SER 537.A OG PHE 546.A O no hydrogen 3.514 N/A ARG 538.A N HIS 541.A O no hydrogen 3.176 N/A ARG 538.A NE GLU 536.A OE2 no hydrogen 2.780 N/A ARG 538.A NH1 ASP 79.A O no hydrogen 3.052 N/A ARG 538.A NH1 ASP 551.A OD1 no hydrogen 2.870 N/A ARG 538.A NH2 GLU 536.A OE2 no hydrogen 3.528 N/A ARG 538.A NH2 ASP 551.A OD1 no hydrogen 3.071 N/A GLY 539.A N ASP 79.A OD1 no hydrogen 2.579 N/A ALA 540.A N ALA 398.A O no hydrogen 3.239 N/A HIS 541.A NE2 ALA 531.A O no hydrogen 3.139 N/A ARG 543.A N SER 537.A OG no hydrogen 2.767 N/A ARG 543.A NE ASP 545.A OD2 no hydrogen 2.902 N/A ARG 543.A NH1 ASP 545.A OD1 no hydrogen 3.023 N/A ARG 543.A NH1 ASP 545.A OD2 no hydrogen 3.488 N/A ARG 543.A NH2 ALA 531.A O no hydrogen 3.126 N/A ARG 543.A NH2 GLU 532.A O no hydrogen 2.840 N/A ASP 544.A N ARG 476.A O no hydrogen 3.180 N/A LYS 548.A NZ ASP 554.A OD2 no hydrogen 2.788 N/A ARG 549.A NE ASP 551.A OD1 no hydrogen 3.072 N/A ARG 549.A NH1 ILE 609.A O no hydrogen 2.793 N/A ARG 549.A NH2 ILE 609.A O no hydrogen 2.792 N/A GLU 550.A N GLU 536.A OE1 no hydrogen 3.331 N/A TYR 555.A OH GLU 552.A OE1 no hydrogen 2.733 N/A TYR 555.A OH GLU 552.A OE2 no hydrogen 2.598 N/A SER 556.A N ASP 554.A OD1 no hydrogen 3.118 N/A SER 556.A OG ASP 554.A OD1 no hydrogen 2.238 N/A LYS 557.A N ASP 554.A OD1 no hydrogen 3.434 N/A ILE 559.A N LYS 557.A O no hydrogen 2.262 N/A GLU 560.A N PRO 558.A O no hydrogen 2.346 N/A GLN 562.A N ILE 559.A O no hydrogen 2.627 N/A GLN 562.A NE2 ASP 554.A O no hydrogen 3.406 N/A ARG 565.A N GLU 552.A O no hydrogen 2.743 N/A ARG 565.A NH1 LYS 569.A O no hydrogen 3.027 N/A ARG 565.A NH2 LYS 569.A O no hydrogen 3.141 N/A LYS 569.A N PRO 566.A O no hydrogen 2.737 N/A TRP 571.A N GLU 550.A O no hydrogen 2.993 N/A ARG 572.A NE TRP 80.A O no hydrogen 2.880 N/A ARG 572.A NH2 ASP 595.A OD2 no hydrogen 2.771 N/A LYS 573.A N TRP 571.A O no hydrogen 2.667 N/A LYS 573.A NZ GLU 568.A O no hydrogen 3.509 N/A HIS 574.A N ARG 591.A O no hydrogen 2.935 N/A HIS 574.A ND1 ASP 237.A OD1 no hydrogen 2.606 N/A HIS 574.A ND1 ASP 237.A OD2 no hydrogen 3.194 N/A HIS 574.A NE2 ASP 83.A OD1 no hydrogen 2.688 N/A THR 575.A N ASP 237.A OD2 no hydrogen 2.896 N/A THR 575.A OG1 GLU 239.A OE1 no hydrogen 3.285 N/A THR 575.A OG1 GLU 239.A OE2 no hydrogen 2.674 N/A LEU 576.A N ASP 589.A O no hydrogen 3.231 N/A THR 577.A OG1 LEU 235.A O no hydrogen 3.296 N/A THR 577.A OG1 GLN 526.A OE1 no hydrogen 3.461 N/A LYS 578.A N THR 587.A O no hydrogen 3.341 N/A LYS 578.A NZ GLY 232.A O no hydrogen 2.947 N/A ARG 582.A N ASP 580.A OD1 no hydrogen 3.358 N/A THR 583.A N ASP 580.A OD2 no hydrogen 3.318 N/A THR 583.A OG1 ASP 580.A OD2 no hydrogen 2.703 N/A GLY 584.A N ASP 580.A O no hydrogen 2.892 N/A THR 587.A N LYS 578.A O no hydrogen 3.124 N/A ARG 591.A NE ASP 378.A OD1 no hydrogen 3.223 N/A ILE 594.A N ASP 83.A OD1 no hydrogen 2.918 N/A THR 597.A OG1 VAL 603.A O no hydrogen 3.213 N/A ALA 601.A N ASP 599.A OD1 no hydrogen 3.261 N/A GLU 602.A N ASP 599.A O no hydrogen 3.002 N/A VAL 603.A N ASP 599.A O no hydrogen 3.327 N/A ARG 611.A NH1 ASP 79.A OD1 no hydrogen 3.253 N/A ARG 611.A NH1 ASP 289.A OD1 no hydrogen 3.093 N/A ARG 611.A NH1 ASP 289.A OD2 no hydrogen 3.048 N/A ARG 611.A NH2 ASP 289.A OD1 no hydrogen 2.885 N/A TYR 613.A OH GLY 123.A O no hydrogen 2.933 N/A