Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7wsf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 6.A N THR 2.A O no hydrogen 2.993 N/A ALA 7.A N THR 3.A O no hydrogen 2.876 N/A LYS 8.A N GLU 4.A O no hydrogen 2.824 N/A THR 9.A N GLU 5.A O no hydrogen 3.209 N/A PHE 10.A N GLN 6.A O no hydrogen 3.241 N/A LEU 11.A N ALA 7.A O no hydrogen 3.075 N/A GLN 12.A N LYS 8.A O no hydrogen 3.214 N/A LYS 13.A N THR 9.A O no hydrogen 3.082 N/A PHE 14.A N PHE 10.A O no hydrogen 2.906 N/A ASP 15.A N LEU 11.A O no hydrogen 2.764 N/A HIS 16.A N GLN 12.A O no hydrogen 3.350 N/A GLU 17.A N LYS 13.A O no hydrogen 3.178 N/A ALA 18.A N PHE 14.A O no hydrogen 2.553 N/A GLU 19.A N ASP 15.A O no hydrogen 3.085 N/A ASP 20.A N HIS 16.A O no hydrogen 3.477 N/A LEU 21.A N GLU 17.A O no hydrogen 3.268 N/A SER 22.A N ALA 18.A O no hydrogen 2.747 N/A TYR 23.A N GLU 19.A O no hydrogen 2.979 N/A ARG 24.A N ASP 20.A O no hydrogen 2.814 N/A SER 25.A N LEU 21.A O no hydrogen 2.921 N/A SER 26.A N SER 22.A O no hydrogen 2.918 N/A SER 26.A OG SER 22.A O no hydrogen 3.209 N/A LEU 27.A N TYR 23.A O no hydrogen 2.717 N/A ALA 28.A N ARG 24.A O no hydrogen 2.919 N/A SER 29.A N SER 25.A O no hydrogen 3.006 N/A SER 29.A OG SER 25.A O no hydrogen 2.866 N/A TRP 30.A N SER 26.A O no hydrogen 3.015 N/A ASN 31.A N LEU 27.A O no hydrogen 3.382 N/A ASN 31.A ND2 LEU 27.A O no hydrogen 2.387 N/A TYR 32.A N ALA 28.A O no hydrogen 3.375 N/A ASN 33.A N SER 29.A O no hydrogen 3.087 N/A ASN 33.A ND2 SER 29.A O no hydrogen 2.303 N/A THR 34.A N TRP 30.A O no hydrogen 2.835 N/A THR 34.A OG1 TRP 30.A O no hydrogen 3.204 N/A ASN 35.A N TYR 32.A O no hydrogen 3.169 N/A ILE 36.A N LYS 322.A O no hydrogen 2.791 N/A ASP 38.A N THR 37.A OG1 no hydrogen 2.447 N/A ASN 40.A ND2 ASN 31.A O no hydrogen 3.022 N/A ASN 40.A ND2 ASN 35.A O no hydrogen 2.724 N/A LYS 43.A N GLU 39.A O no hydrogen 3.224 N/A LYS 43.A NZ GLU 39.A OE2 no hydrogen 3.114 N/A MET 44.A N ASN 40.A O no hydrogen 2.823 N/A ASN 45.A N VAL 41.A O no hydrogen 2.948 N/A ALA 46.A N GLN 42.A O no hydrogen 2.931 N/A ALA 47.A N LYS 43.A O no hydrogen 3.033 N/A ARG 48.A N MET 44.A O no hydrogen 3.028 N/A ALA 49.A N ASN 45.A O no hydrogen 2.790 N/A LYS 50.A N ALA 46.A O no hydrogen 3.120 N/A TRP 51.A N ALA 47.A O no hydrogen 3.206 N/A SER 52.A N ARG 48.A O no hydrogen 2.907 N/A SER 52.A OG ARG 48.A O no hydrogen 2.975 N/A ALA 53.A N ALA 49.A O no hydrogen 2.767 N/A PHE 54.A N LYS 50.A O no hydrogen 2.923 N/A TYR 55.A N TRP 51.A O no hydrogen 2.933 N/A TYR 55.A OH ALA 81.A O no hydrogen 3.345 N/A GLU 56.A N SER 52.A O no hydrogen 2.915 N/A GLU 57.A N ALA 53.A O no hydrogen 2.914 N/A GLN 58.A N PHE 54.A O no hydrogen 2.787 N/A SER 59.A N GLU 56.A O no hydrogen 3.239 N/A SER 59.A OG LEU 82.A O no hydrogen 2.633 N/A SER 59.A OG GLN 84.A O no hydrogen 3.122 N/A ALA 62.A N GLN 58.A O no hydrogen 3.174 N/A LYS 63.A N SER 59.A O no hydrogen 3.323 N/A THR 64.A N ILE 61.A O no hydrogen 3.204 N/A THR 64.A OG1 ARG 60.A O no hydrogen 3.505 N/A THR 64.A OG1 ILE 61.A O no hydrogen 3.170 N/A TYR 65.A N ALA 62.A O no hydrogen 3.141 N/A ILE 70.A N LEU 67.A O no hydrogen 3.058 N/A GLN 71.A N GLU 4.A OE1 no hydrogen 3.448 N/A THR 74.A N ASN 72.A OD1 no hydrogen 3.279 N/A LYS 76.A N ASN 72.A O no hydrogen 3.147 N/A LYS 76.A NZ LEU 67.A O no hydrogen 3.445 N/A ARG 77.A N LEU 73.A O no hydrogen 2.977 N/A GLN 78.A N THR 74.A O no hydrogen 3.340 N/A LEU 79.A N LEU 75.A O no hydrogen 3.006 N/A GLN 80.A N LYS 76.A O no hydrogen 3.005 N/A ALA 81.A N ARG 77.A O no hydrogen 3.000 N/A LEU 82.A N GLN 78.A O no hydrogen 2.986 N/A GLN 83.A N LEU 79.A O no hydrogen 2.509 N/A GLN 83.A NE2 ALA 62.A O no hydrogen 2.868 N/A GLN 83.A NE2 TYR 65.A O no hydrogen 2.663 N/A THR 87.A OG1 SER 95.A OG no hydrogen 3.401 N/A SER 88.A OG SER 85.A O no hydrogen 3.274 N/A LEU 90.A N THR 87.A O no hydrogen 3.320 N/A SER 95.A N SER 91.A O no hydrogen 2.678 N/A SER 95.A OG THR 87.A OG1 no hydrogen 3.401 N/A LYS 96.A N ALA 92.A O no hydrogen 3.140 N/A ARG 97.A N ASP 93.A O no hydrogen 3.157 N/A ARG 97.A NH2 GLU 163.A OE1 no hydrogen 3.051 N/A LEU 98.A N LYS 94.A O no hydrogen 3.075 N/A THR 100.A N LYS 96.A O no hydrogen 3.176 N/A THR 100.A OG1 LYS 96.A O no hydrogen 3.005 N/A ILE 101.A N ARG 97.A O no hydrogen 2.947 N/A LEU 102.A N LEU 98.A O no hydrogen 2.761 N/A ASN 103.A N ASN 99.A O no hydrogen 2.929 N/A THR 104.A N THR 100.A O no hydrogen 2.959 N/A MET 105.A N ILE 101.A O no hydrogen 2.856 N/A SER 106.A N LEU 102.A O no hydrogen 3.176 N/A SER 106.A OG LEU 102.A O no hydrogen 3.234 N/A SER 106.A OG GLU 489.A OE2 no hydrogen 2.614 N/A THR 107.A N ASN 103.A O no hydrogen 2.883 N/A THR 107.A OG1 ASN 103.A O no hydrogen 2.676 N/A ILE 108.A N THR 104.A O no hydrogen 2.989 N/A TYR 109.A N MET 105.A O no hydrogen 3.248 N/A SER 110.A N SER 106.A O no hydrogen 2.868 N/A SER 110.A OG SER 106.A O no hydrogen 2.813 N/A SER 111.A N THR 107.A O no hydrogen 2.965 N/A SER 111.A OG THR 107.A O no hydrogen 2.716 N/A GLY 112.A N TYR 109.A O no hydrogen 3.459 N/A LYS 113.A NZ SER 111.A O no hydrogen 3.262 N/A VAL 114.A N LEU 123.A O no hydrogen 2.994 N/A ASP 116.A N GLU 121.A O no hydrogen 3.242 N/A ASN 118.A ND2 GLU 121.A OE1 no hydrogen 3.215 N/A LEU 123.A N VAL 114.A O no hydrogen 2.670 N/A LEU 129.A N VAL 124.A O no hydrogen 2.766 N/A ASP 130.A N LEU 125.A O no hydrogen 2.818 N/A ASP 131.A N PRO 127.A O no hydrogen 3.064 N/A MET 133.A N LEU 129.A O no hydrogen 3.027 N/A GLU 134.A N ASP 130.A O no hydrogen 2.774 N/A ASN 135.A N ASP 131.A O no hydrogen 2.831 N/A SER 136.A N ASP 131.A O no hydrogen 3.372 N/A SER 136.A N ILE 132.A O no hydrogen 3.177 N/A ASN 140.A ND2 SER 673.A OG no hydrogen 2.655 N/A ARG 142.A N ASP 138.A O no hydrogen 2.934 N/A ARG 142.A NE HIS 246.A O no hydrogen 2.483 N/A ARG 142.A NH1 MET 133.A O no hydrogen 2.493 N/A ARG 142.A NH1 SER 136.A O no hydrogen 2.851 N/A ARG 142.A NH2 MET 133.A O no hydrogen 2.825 N/A ARG 142.A NH2 HIS 246.A O no hydrogen 3.093 N/A LEU 143.A N TYR 139.A O no hydrogen 3.012 N/A TRP 144.A N ASN 140.A O no hydrogen 3.073 N/A ALA 145.A N ARG 141.A O no hydrogen 3.257 N/A TRP 146.A N ARG 142.A O no hydrogen 2.849 N/A GLU 147.A N LEU 143.A O no hydrogen 2.972 N/A GLY 148.A N TRP 144.A O no hydrogen 2.938 N/A TRP 149.A N ALA 145.A O no hydrogen 3.053 N/A TRP 149.A NE1 CYS 483.A O no hydrogen 3.078 N/A ARG 150.A N TRP 146.A O no hydrogen 3.320 N/A ARG 150.A NH1 MET 251.A O no hydrogen 2.685 N/A ARG 150.A NH2 MET 251.A O no hydrogen 3.151 N/A ALA 151.A N GLU 147.A O no hydrogen 2.844 N/A GLU 152.A N GLY 148.A O no hydrogen 3.045 N/A VAL 153.A N TRP 149.A O no hydrogen 3.030 N/A LEU 157.A N VAL 153.A O no hydrogen 3.013 N/A ARG 158.A N LYS 155.A O no hydrogen 3.456 N/A ARG 158.A NE GLU 162.A OE2 no hydrogen 2.989 N/A ARG 158.A NH2 GLU 476.A OE2 no hydrogen 2.793 N/A TYR 161.A N LEU 157.A O no hydrogen 2.977 N/A GLU 162.A N ARG 158.A O no hydrogen 3.222 N/A GLU 163.A N PRO 159.A O no hydrogen 3.423 N/A TYR 164.A N PHE 160.A O no hydrogen 2.846 N/A TYR 164.A OH ASP 490.A OD1 no hydrogen 2.301 N/A VAL 165.A N TYR 161.A O no hydrogen 2.973 N/A VAL 166.A N GLU 162.A O no hydrogen 3.400 N/A LEU 167.A N GLU 163.A O no hydrogen 3.046 N/A GLU 168.A N TYR 164.A O no hydrogen 3.004 N/A ASN 169.A N VAL 165.A O no hydrogen 2.930 N/A ASN 169.A ND2 PHE 445.A O no hydrogen 2.865 N/A GLU 170.A N VAL 166.A O no hydrogen 3.188 N/A MET 171.A N LEU 167.A O no hydrogen 3.216 N/A ALA 172.A N GLU 168.A O no hydrogen 3.070 N/A ARG 173.A N ASN 169.A O no hydrogen 2.943 N/A ALA 174.A N GLU 170.A O no hydrogen 3.038 N/A ASN 175.A N MET 171.A O no hydrogen 3.187 N/A ASN 175.A ND2 SER 85.A OG no hydrogen 2.627 N/A ASN 176.A N ARG 173.A O no hydrogen 3.014 N/A TYR 177.A N ALA 172.A O no hydrogen 2.837 N/A GLU 178.A N ASP 182.A OD2 no hydrogen 3.274 N/A TYR 180.A N ASN 169.A OD1 no hydrogen 3.238 N/A TYR 180.A OH ASP 490.A OD1 no hydrogen 2.841 N/A TYR 180.A OH ASP 490.A OD2 no hydrogen 3.234 N/A ASP 182.A N ASP 179.A OD1 no hydrogen 2.670 N/A TYR 183.A N ASP 179.A O no hydrogen 3.031 N/A TRP 184.A N TYR 180.A O no hydrogen 3.082 N/A ARG 185.A N GLY 181.A O no hydrogen 3.042 N/A GLY 186.A N TYR 183.A O no hydrogen 3.251 N/A TYR 188.A N ARG 185.A O no hydrogen 3.364 N/A TYR 188.A OH GLU 379.A OE2 no hydrogen 2.877 N/A TYR 188.A OH THR 498.A OG1 no hydrogen 3.004 N/A GLU 189.A N GLY 186.A O no hydrogen 3.392 N/A VAL 190.A N TYR 198.A O no hydrogen 2.890 N/A TYR 196.A OH GLU 552.A OE1 no hydrogen 2.480 N/A TYR 198.A N VAL 190.A O no hydrogen 2.933 N/A TYR 198.A OH ASP 206.A OD2 no hydrogen 2.563 N/A ARG 200.A NE ASP 182.A OD1 no hydrogen 2.765 N/A ARG 200.A NH2 ASP 182.A OD2 no hydrogen 2.927 N/A GLN 202.A N SER 199.A O no hydrogen 3.153 N/A LEU 203.A N ARG 200.A O no hydrogen 3.321 N/A ALA 205.A N ASN 201.A O no hydrogen 3.401 N/A ASP 206.A N GLN 202.A O no hydrogen 2.902 N/A VAL 207.A N LEU 203.A O no hydrogen 2.793 N/A GLU 208.A N ILE 204.A O no hydrogen 2.948 N/A ARG 209.A N ALA 205.A O no hydrogen 2.914 N/A ARG 209.A NH1 MET 560.A O no hydrogen 2.652 N/A THR 210.A N ASP 206.A O no hydrogen 2.837 N/A THR 210.A OG1 ASP 206.A O no hydrogen 2.849 N/A THR 210.A OG1 VAL 207.A O no hydrogen 3.031 N/A THR 210.A OG1 TYR 497.A OH no hydrogen 2.404 N/A PHE 211.A N VAL 207.A O no hydrogen 3.101 N/A ALA 212.A N GLU 208.A O no hydrogen 3.316 N/A GLU 213.A N THR 210.A O no hydrogen 3.127 N/A ILE 214.A N THR 210.A O no hydrogen 3.338 N/A LYS 215.A N PHE 211.A O no hydrogen 3.123 N/A TYR 218.A N ILE 214.A O no hydrogen 2.861 N/A TYR 218.A OH VAL 466.A O no hydrogen 2.267 N/A GLU 219.A N LYS 215.A O no hydrogen 2.875 N/A GLN 220.A N PRO 216.A O no hydrogen 3.411 N/A LEU 221.A N LEU 217.A O no hydrogen 3.098 N/A HIS 222.A N TYR 218.A O no hydrogen 2.578 N/A HIS 222.A NE2 GLY 467.A O no hydrogen 2.829 N/A ALA 223.A N GLU 219.A O no hydrogen 2.817 N/A TYR 224.A N GLN 220.A O no hydrogen 3.135 N/A TYR 224.A OH THR 263.A O no hydrogen 3.332 N/A VAL 225.A N LEU 221.A O no hydrogen 3.053 N/A ARG 226.A N HIS 222.A O no hydrogen 2.918 N/A ARG 226.A NH1 GLY 241.A O no hydrogen 2.554 N/A ARG 226.A NH1 GLY 586.A O no hydrogen 2.530 N/A ARG 226.A NH2 PRO 584.A O no hydrogen 2.491 N/A ARG 226.A NH2 GLY 586.A O no hydrogen 2.683 N/A ALA 227.A N ALA 223.A O no hydrogen 3.083 N/A LYS 228.A N TYR 224.A O no hydrogen 3.127 N/A LYS 228.A NZ TYR 224.A OH no hydrogen 2.615 N/A LEU 229.A N VAL 225.A O no hydrogen 2.817 N/A MET 230.A N ARG 226.A O no hydrogen 3.102 N/A MET 230.A N ALA 227.A O no hydrogen 3.214 N/A ALA 232.A N LYS 228.A O no hydrogen 3.370 N/A TYR 233.A N LEU 229.A O no hydrogen 2.889 N/A SER 235.A OG PRO 234.A O no hydrogen 2.449 N/A ARG 236.A N TYR 233.A O no hydrogen 3.443 N/A ARG 236.A NH2 ASP 674.A OD1 no hydrogen 3.232 N/A THR 240.A OG1 THR 240.A O no hydrogen 2.481 N/A CYS 242.A SG ARG 463.A O no hydrogen 3.528 N/A CYS 242.A SG SER 588.A O no hydrogen 3.826 N/A LEU 243.A N GLY 467.A O no hydrogen 3.041 N/A ALA 245.A N VAL 469.A O no hydrogen 2.982 N/A LEU 247.A N PRO 244.A O no hydrogen 3.269 N/A TRP 252.A NE1 CYS 483.A O no hydrogen 3.100 N/A PHE 255.A N ASP 250.A OD2 no hydrogen 3.510 N/A TRP 256.A N LEU 425.A O no hydrogen 2.756 N/A LEU 259.A N TRP 256.A O no hydrogen 3.007 N/A TYR 260.A N THR 257.A O no hydrogen 3.472 N/A THR 263.A N LEU 259.A O no hydrogen 2.876 N/A THR 263.A OG1 LEU 259.A O no hydrogen 3.009 N/A PHE 266.A N ASN 418.A OD1 no hydrogen 3.150 N/A LYS 269.A NZ ASP 412.A OD2 no hydrogen 3.498 N/A ASP 273.A N SER 271.A O no hydrogen 3.059 N/A THR 275.A N ASP 273.A OD1 no hydrogen 3.365 N/A GLU 277.A N VAL 274.A O no hydrogen 3.156 N/A MET 278.A N VAL 274.A O no hydrogen 3.057 N/A GLN 279.A N THR 275.A O no hydrogen 3.346 N/A GLN 281.A N MET 278.A O no hydrogen 3.162 N/A GLN 281.A NE2 GLY 403.A O no hydrogen 3.075 N/A TRP 283.A N MET 278.A O no hydrogen 3.075 N/A TRP 283.A NE1 GLN 281.A OE1 no hydrogen 3.170 N/A ARG 287.A N ASP 284.A OD1 no hydrogen 2.506 N/A ILE 288.A N ASP 284.A O no hydrogen 3.049 N/A PHE 289.A N ALA 285.A O no hydrogen 3.348 N/A LYS 290.A N LYS 286.A O no hydrogen 2.895 N/A GLU 291.A N ARG 287.A O no hydrogen 2.995 N/A ALA 292.A N ILE 288.A O no hydrogen 2.943 N/A GLU 293.A N PHE 289.A O no hydrogen 2.802 N/A LYS 294.A N LYS 290.A O no hydrogen 3.268 N/A LYS 294.A NZ GLU 291.A OE2 no hydrogen 2.974 N/A PHE 295.A N GLU 291.A O no hydrogen 3.357 N/A PHE 295.A N ALA 292.A O no hydrogen 3.221 N/A VAL 297.A N GLU 293.A O no hydrogen 3.071 N/A SER 298.A N LYS 294.A O no hydrogen 2.938 N/A SER 298.A N PHE 295.A O no hydrogen 3.237 N/A SER 298.A OG LYS 294.A O no hydrogen 2.516 N/A SER 298.A OG ASN 527.A OD1 no hydrogen 3.562 N/A LEU 301.A N PHE 296.A O no hydrogen 2.838 N/A MET 304.A N GLU 293.A OE2 no hydrogen 3.261 N/A PHE 308.A N THR 305.A O no hydrogen 2.964 N/A ASN 311.A N GLU 307.A O no hydrogen 3.056 N/A ASN 311.A ND2 ASP 336.A OD1 no hydrogen 3.124 N/A SER 312.A N PHE 308.A O no hydrogen 2.926 N/A SER 312.A OG PHE 308.A O no hydrogen 2.518 N/A ARG 321.A N ASP 319.A O no hydrogen 2.678 N/A LYS 322.A NZ VAL 323.A O no hydrogen 2.494 N/A VAL 324.A N ASN 33.A O no hydrogen 3.035 N/A THR 328.A N LYS 340.A O no hydrogen 3.059 N/A TRP 330.A N ARG 338.A O no hydrogen 2.571 N/A TRP 330.A NE1 THR 328.A OG1 no hydrogen 2.970 N/A LEU 332.A N ASP 336.A O no hydrogen 3.065 N/A ASP 336.A N GLY 333.A O no hydrogen 3.041 N/A ARG 338.A N TRP 330.A O no hydrogen 2.859 N/A ARG 338.A NE ASP 336.A OD1 no hydrogen 3.369 N/A ILE 339.A N SER 312.A OG no hydrogen 3.203 N/A LYS 340.A N THR 328.A O no hydrogen 2.999 N/A LYS 340.A NZ VAL 324.A O no hydrogen 3.311 N/A LYS 340.A NZ HIS 326.A O no hydrogen 2.615 N/A LYS 340.A NZ THR 328.A OG1 no hydrogen 3.384 N/A LYS 340.A NZ LYS 340.A O no hydrogen 3.555 N/A MET 341.A N MET 313.A O no hydrogen 2.985 N/A THR 343.A OG1 LEU 314.A O no hydrogen 2.843 N/A THR 343.A OG1 MET 341.A O no hydrogen 3.270 N/A LYS 344.A N ASP 349.A OD2 no hydrogen 3.050 N/A THR 346.A OG1 ASP 349.A OD2 no hydrogen 3.322 N/A PHE 350.A N THR 346.A O no hydrogen 3.350 N/A LEU 351.A N MET 347.A O no hydrogen 3.036 N/A THR 352.A N ASP 348.A O no hydrogen 3.160 N/A THR 352.A OG1 ASP 348.A O no hydrogen 2.736 N/A ALA 353.A N ASP 349.A O no hydrogen 3.028 N/A HIS 354.A ND1 PHE 350.A O no hydrogen 2.876 N/A HIS 354.A NE2 TYR 398.A OH no hydrogen 2.710 N/A HIS 355.A N LEU 351.A O no hydrogen 3.104 N/A GLU 356.A N THR 352.A O no hydrogen 2.813 N/A MET 357.A N ALA 353.A O no hydrogen 3.075 N/A GLY 358.A N HIS 354.A O no hydrogen 3.127 N/A GLY 358.A N HIS 355.A O no hydrogen 3.114 N/A HIS 359.A N GLU 356.A O no hydrogen 3.189 N/A HIS 359.A ND1 HIS 382.A ND1 no hydrogen 3.234 N/A HIS 359.A NE2 HIS 355.A NE2 no hydrogen 3.023 N/A ILE 360.A N GLU 356.A O no hydrogen 3.316 N/A GLN 361.A N MET 357.A O no hydrogen 2.994 N/A GLN 361.A NE2 PRO 302.A O no hydrogen 2.573 N/A ASP 363.A N HIS 359.A O no hydrogen 2.840 N/A MET 364.A N ILE 360.A O no hydrogen 2.701 N/A ALA 365.A N GLN 361.A O no hydrogen 3.037 N/A ALA 365.A N TYR 362.A O no hydrogen 3.143 N/A TYR 366.A N TYR 362.A O no hydrogen 3.399 N/A TYR 366.A OH HIS 382.A NE2 no hydrogen 2.749 N/A GLN 369.A N TYR 366.A O no hydrogen 3.090 N/A LEU 373.A N PRO 370.A O no hydrogen 2.758 N/A ARG 374.A N PHE 371.A O no hydrogen 3.398 N/A GLY 376.A N ASN 375.A OD1 no hydrogen 2.561 N/A ALA 377.A N TYR 362.A OH no hydrogen 3.339 N/A GLY 380.A N ASN 378.A OD1 no hydrogen 2.744 N/A PHE 381.A N ASN 378.A O no hydrogen 3.243 N/A HIS 382.A ND1 HIS 359.A ND1 no hydrogen 3.234 N/A HIS 382.A NE2 TYR 366.A OH no hydrogen 2.749 N/A ALA 384.A N PHE 381.A O no hydrogen 3.280 N/A VAL 385.A N PHE 381.A O no hydrogen 3.200 N/A ILE 388.A N ALA 384.A O no hydrogen 3.258 N/A MET 389.A N GLY 386.A O no hydrogen 3.170 N/A SER 390.A OG LEU 351.A O no hydrogen 3.243 N/A LEU 391.A N GLU 387.A O no hydrogen 3.170 N/A SER 392.A N ILE 388.A O no hydrogen 3.464 N/A ALA 393.A N MET 389.A O no hydrogen 3.029 N/A ALA 394.A N SER 390.A O no hydrogen 2.974 N/A THR 395.A N SER 392.A O no hydrogen 3.442 N/A THR 395.A OG1 LEU 391.A O no hydrogen 2.946 N/A THR 395.A OG1 SER 392.A O no hydrogen 3.381 N/A THR 395.A OG1 CYS 523.A O no hydrogen 3.184 N/A TYR 398.A OH HIS 354.A NE2 no hydrogen 2.710 N/A LEU 399.A N THR 395.A O no hydrogen 3.068 N/A LYS 400.A N PRO 396.A O no hydrogen 2.875 N/A ALA 401.A N HIS 397.A O no hydrogen 3.085 N/A LEU 402.A N TYR 398.A O no hydrogen 3.149 N/A LEU 402.A N LEU 399.A O no hydrogen 3.273 N/A GLY 403.A N LYS 400.A O no hydrogen 3.165 N/A LEU 404.A N LEU 399.A O no hydrogen 3.087 N/A GLU 416.A N ASP 412.A O no hydrogen 3.028 N/A ILE 417.A N ASN 413.A O no hydrogen 3.012 N/A ASN 418.A N VAL 414.A O no hydrogen 3.083 N/A ASN 418.A ND2 VAL 414.A O no hydrogen 2.233 N/A PHE 419.A N THR 415.A O no hydrogen 3.042 N/A LEU 420.A N GLU 416.A O no hydrogen 3.022 N/A LEU 421.A N ILE 417.A O no hydrogen 2.976 N/A LYS 422.A N ASN 418.A O no hydrogen 3.050 N/A GLN 423.A N PHE 419.A O no hydrogen 2.894 N/A ALA 424.A N LEU 420.A O no hydrogen 2.814 N/A LEU 425.A N LEU 421.A O no hydrogen 3.119 N/A GLN 426.A N GLN 423.A O no hydrogen 3.111 N/A ILE 427.A N GLN 423.A O no hydrogen 2.628 N/A VAL 428.A N ALA 424.A O no hydrogen 2.850 N/A GLY 429.A N ALA 424.A O no hydrogen 2.844 N/A THR 430.A OG1 ARG 254.A O no hydrogen 3.236 N/A THR 430.A OG1 THR 434.A OG1 no hydrogen 3.306 N/A LEU 431.A N VAL 428.A O no hydrogen 3.270 N/A THR 434.A N THR 430.A O no hydrogen 2.753 N/A THR 434.A OG1 THR 430.A O no hydrogen 2.807 N/A THR 434.A OG1 THR 430.A OG1 no hydrogen 3.306 N/A TYR 435.A N LEU 431.A O no hydrogen 2.886 N/A MET 436.A N PRO 432.A O no hydrogen 2.871 N/A LEU 437.A N PHE 433.A O no hydrogen 3.010 N/A GLU 438.A N THR 434.A O no hydrogen 3.163 N/A LYS 439.A N TYR 435.A O no hydrogen 2.906 N/A LYS 439.A NZ TYR 435.A OH no hydrogen 3.028 N/A TRP 440.A N MET 436.A O no hydrogen 2.949 N/A TRP 440.A NE1 TRP 454.A O no hydrogen 3.072 N/A ARG 441.A N LEU 437.A O no hydrogen 3.164 N/A ARG 441.A NE GLU 438.A OE1 no hydrogen 3.399 N/A ARG 441.A NH1 TYR 491.A O no hydrogen 3.060 N/A ARG 441.A NH2 GLU 438.A OE1 no hydrogen 3.003 N/A ARG 441.A NH2 TYR 491.A O no hydrogen 2.537 N/A TRP 442.A N GLU 438.A O no hydrogen 2.892 N/A MET 443.A N LYS 439.A O no hydrogen 3.054 N/A VAL 444.A N TRP 440.A O no hydrogen 2.884 N/A PHE 445.A N ARG 441.A O no hydrogen 2.874 N/A LYS 446.A N TRP 442.A O no hydrogen 3.070 N/A GLY 447.A N VAL 444.A O no hydrogen 3.219 N/A ILE 449.A N MET 443.A O no hydrogen 3.348 N/A LYS 451.A NZ GLU 452.A OE2 no hydrogen 2.875 N/A GLN 453.A N PRO 450.A O no hydrogen 2.707 N/A GLN 456.A NE2 GLN 456.A O no hydrogen 2.892 N/A LYS 457.A N GLN 453.A O no hydrogen 2.990 N/A TRP 458.A N TRP 454.A O no hydrogen 3.061 N/A TRP 459.A N MET 455.A O no hydrogen 3.307 N/A TRP 459.A NE1 ASP 480.A OD2 no hydrogen 2.667 N/A GLU 460.A N GLN 456.A O no hydrogen 3.213 N/A MET 461.A N LYS 457.A O no hydrogen 3.201 N/A LYS 462.A N TRP 458.A O no hydrogen 3.138 N/A ARG 463.A N TRP 459.A O no hydrogen 3.242 N/A ARG 463.A NE THR 589.A O no hydrogen 3.281 N/A ARG 463.A NH2 THR 589.A O no hydrogen 2.320 N/A GLU 464.A N MET 461.A O no hydrogen 3.324 N/A ILE 465.A N MET 461.A O no hydrogen 2.754 N/A VAL 468.A N LYS 462.A O no hydrogen 2.913 N/A VAL 469.A N LEU 243.A O no hydrogen 2.791 N/A HIS 474.A N GLU 470.A OE1 no hydrogen 3.246 N/A HIS 474.A ND1 ASP 480.A OD1 no hydrogen 3.074 N/A HIS 474.A ND1 ASP 480.A OD2 no hydrogen 2.471 N/A HIS 474.A NE2 GLU 147.A OE1 no hydrogen 2.618 N/A THR 477.A OG1 ASP 475.A O no hydrogen 3.125 N/A TYR 478.A OH GLU 147.A OE2 no hydrogen 3.148 N/A CYS 483.A N ASP 480.A O no hydrogen 3.121 N/A CYS 483.A SG TRP 149.A O no hydrogen 3.960 N/A CYS 483.A SG CYS 479.A O no hydrogen 3.433 N/A LEU 484.A N PRO 481.A O no hydrogen 3.140 N/A HIS 486.A NE2 TYR 496.A OH no hydrogen 2.875 N/A ALA 488.A N LEU 484.A O no hydrogen 3.295 N/A GLU 489.A N HIS 486.A O no hydrogen 3.213 N/A TYR 491.A N HIS 486.A O no hydrogen 3.068 N/A SER 492.A OG GLU 379.A OE1 no hydrogen 3.449 N/A PHE 493.A N GLU 438.A OE1 no hydrogen 3.278 N/A ARG 495.A NE SER 492.A OG no hydrogen 3.358 N/A ARG 495.A NH2 SER 492.A OG no hydrogen 3.026 N/A TYR 496.A OH HIS 486.A NE2 no hydrogen 2.875 N/A TYR 497.A N ILE 494.A O no hydrogen 3.042 N/A TYR 497.A OH THR 210.A OG1 no hydrogen 2.404 N/A THR 498.A N ILE 494.A O no hydrogen 3.135 N/A THR 498.A OG1 TYR 188.A OH no hydrogen 3.004 N/A THR 498.A OG1 ILE 494.A O no hydrogen 3.508 N/A THR 498.A OG1 ARG 495.A O no hydrogen 3.457 N/A ARG 499.A N ARG 495.A O no hydrogen 3.056 N/A THR 500.A OG1 TYR 496.A O no hydrogen 3.027 N/A ILE 501.A N TYR 497.A O no hydrogen 3.282 N/A TYR 502.A N THR 498.A O no hydrogen 2.736 N/A GLN 503.A N ARG 499.A O no hydrogen 2.755 N/A GLN 505.A N ILE 501.A O no hydrogen 3.237 N/A GLN 505.A NE2 THR 559.A O no hydrogen 3.290 N/A PHE 506.A N TYR 502.A O no hydrogen 2.899 N/A HIS 507.A N GLN 503.A O no hydrogen 2.998 N/A GLU 508.A N PHE 504.A O no hydrogen 3.065 N/A ALA 509.A N GLN 505.A O no hydrogen 3.140 N/A LEU 510.A N PHE 506.A O no hydrogen 2.839 N/A CYS 511.A N HIS 507.A O no hydrogen 2.897 N/A CYS 511.A SG HIS 507.A O no hydrogen 3.019 N/A GLN 512.A N GLU 508.A O no hydrogen 3.015 N/A THR 513.A N ALA 509.A O no hydrogen 3.113 N/A THR 513.A OG1 ALA 509.A O no hydrogen 3.513 N/A ALA 514.A N LEU 510.A O no hydrogen 2.975 N/A LYS 515.A N GLN 512.A O no hydrogen 3.030 N/A HIS 516.A N CYS 511.A O no hydrogen 3.148 N/A HIS 516.A NE2 PRO 519.A O no hydrogen 2.486 N/A TYR 521.A OH GLU 416.A OE1 no hydrogen 2.592 N/A LYS 522.A N PRO 519.A O no hydrogen 3.450 N/A LYS 522.A NZ GLU 411.A OE2 no hydrogen 2.735 N/A LYS 522.A NZ GLU 416.A OE2 no hydrogen 3.321 N/A CYS 523.A SG HIS 507.A NE2 no hydrogen 4.046 N/A SER 526.A N ASP 524.A OD1 no hydrogen 3.063 N/A SER 528.A N ILE 525.A O no hydrogen 3.314 N/A SER 528.A OG ILE 525.A O no hydrogen 2.469 N/A SER 528.A OG SER 528.A O no hydrogen 2.563 N/A GLN 533.A N THR 529.A O no hydrogen 2.961 N/A ARG 534.A N GLU 530.A O no hydrogen 2.994 N/A ARG 534.A NE ILE 554.A O no hydrogen 2.572 N/A ARG 534.A NH2 ILE 554.A O no hydrogen 3.150 N/A LEU 535.A N ALA 531.A O no hydrogen 2.933 N/A LEU 536.A N GLY 532.A O no hydrogen 2.832 N/A LEU 539.A N LEU 535.A O no hydrogen 3.051 N/A HIS 540.A N LEU 536.A O no hydrogen 3.123 N/A HIS 540.A ND1 LEU 536.A O no hydrogen 2.653 N/A LEU 541.A N MET 538.A O no hydrogen 3.335 N/A LYS 543.A N LEU 373.A O no hydrogen 2.972 N/A SER 544.A N LEU 541.A O no hydrogen 3.162 N/A SER 544.A OG LEU 541.A O no hydrogen 2.374 N/A THR 548.A OG1 TYR 196.A O no hydrogen 2.894 N/A ALA 550.A N PRO 546.A O no hydrogen 2.965 N/A LEU 551.A N TRP 547.A O no hydrogen 2.736 N/A GLU 552.A N THR 548.A O no hydrogen 3.033 N/A ASN 553.A N LEU 549.A O no hydrogen 3.115 N/A ASN 553.A N ALA 550.A O no hydrogen 3.262 N/A VAL 555.A N LEU 551.A O no hydrogen 2.906 N/A GLY 556.A N GLU 552.A O no hydrogen 2.905 N/A LYS 558.A NZ GLY 195.A O no hydrogen 2.898 N/A LYS 563.A N ASP 561.A OD1 no hydrogen 3.208 N/A LEU 566.A N VAL 562.A O no hydrogen 2.938 N/A ASN 567.A N LYS 563.A O no hydrogen 2.842 N/A ASN 567.A ND2 GLU 508.A OE2 no hydrogen 3.362 N/A TYR 568.A N PRO 564.A O no hydrogen 3.229 N/A TYR 568.A N LEU 565.A O no hydrogen 3.271 N/A GLU 570.A N ASN 567.A O no hydrogen 3.358 N/A LEU 573.A N PHE 569.A O no hydrogen 2.847 N/A THR 574.A N GLU 570.A O no hydrogen 3.130 N/A THR 574.A OG1 GLU 570.A O no hydrogen 3.269 N/A TRP 575.A N PRO 571.A O no hydrogen 3.263 N/A LEU 576.A N LEU 572.A O no hydrogen 2.713 N/A LYS 577.A N LEU 573.A O no hydrogen 3.024 N/A GLU 578.A N THR 574.A O no hydrogen 3.344 N/A GLN 579.A N TRP 575.A O no hydrogen 3.166 N/A ASN 580.A N LEU 576.A O no hydrogen 2.985 N/A ASN 580.A ND2 GLN 220.A O no hydrogen 3.049 N/A ASN 580.A ND2 GLN 220.A OE1 no hydrogen 2.868 N/A ARG 581.A NE GLU 578.A O no hydrogen 2.754 N/A SER 588.A N THR 240.A O no hydrogen 3.159 N/A THR 592.A N SER 595.A OG no hydrogen 3.263 N/A TYR 594.A OH SER 654.A OG no hydrogen 3.311 N/A SER 595.A N THR 592.A O no hydrogen 3.061 N/A SER 595.A OG THR 592.A O no hydrogen 2.854 N/A SER 598.A N SER 595.A O no hydrogen 3.174 N/A SER 598.A OG PHE 664.A O no hydrogen 3.552 N/A ILE 599.A N PHE 664.A O no hydrogen 2.786 N/A VAL 601.A N PHE 662.A O no hydrogen 3.018 N/A ILE 603.A N ILE 660.A O no hydrogen 3.144 N/A ASN 617.A ND2 GLU 615.A OE2 no hydrogen 3.059 N/A LEU 623.A N GLU 620.A O no hydrogen 3.381 N/A GLN 625.A NE2 GLU 648.A O no hydrogen 2.574 N/A SER 626.A N TYR 622.A O no hydrogen 3.117 N/A SER 627.A N PHE 624.A O no hydrogen 3.126 N/A VAL 628.A N PHE 624.A O no hydrogen 2.781 N/A ALA 631.A N SER 627.A O no hydrogen 3.408 N/A MET 632.A N VAL 628.A O no hydrogen 3.215 N/A ARG 633.A N ALA 629.A O no hydrogen 2.712 N/A GLU 634.A N TYR 630.A O no hydrogen 2.877 N/A TYR 635.A N ALA 631.A O no hydrogen 3.029 N/A PHE 636.A N MET 632.A O no hydrogen 2.930 N/A SER 637.A N ARG 633.A O no hydrogen 3.372 N/A SER 637.A OG ARG 633.A O no hydrogen 3.208 N/A LYS 638.A N GLU 634.A O no hydrogen 2.998 N/A VAL 639.A N TYR 635.A O no hydrogen 2.842 N/A GLU 642.A N PHE 636.A O no hydrogen 3.410 N/A PHE 646.A N ILE 644.A O no hydrogen 2.683 N/A GLY 647.A N ASP 650.A OD2 no hydrogen 2.998 N/A ASP 650.A N GLY 647.A O no hydrogen 3.118 N/A TRP 652.A N PHE 665.A O no hydrogen 2.670 N/A TRP 652.A NE1 THR 667.A OG1 no hydrogen 3.228 N/A SER 654.A N ASN 663.A O no hydrogen 2.547 N/A SER 654.A OG TYR 594.A OH no hydrogen 3.311 N/A LYS 657.A N SER 661.A O no hydrogen 2.763 N/A ARG 659.A NE ASN 617.A OD1 no hydrogen 2.435 N/A ARG 659.A NH2 ASN 617.A OD1 no hydrogen 3.135 N/A ILE 660.A N LYS 657.A O no hydrogen 3.079 N/A SER 661.A N LYS 657.A O no hydrogen 3.083 N/A SER 661.A OG VAL 601.A O no hydrogen 3.360 N/A SER 661.A OG ILE 660.A O no hydrogen 2.625 N/A PHE 662.A N VAL 601.A O no hydrogen 3.366 N/A ASN 663.A N SER 654.A O no hydrogen 2.793 N/A PHE 664.A N ILE 599.A O no hydrogen 2.938 N/A PHE 665.A N TRP 652.A O no hydrogen 2.932 N/A THR 667.A N ASP 650.A O no hydrogen 2.851 N/A THR 667.A OG1 ASP 650.A O no hydrogen 3.504 N/A ASN 671.A N THR 668.A O no hydrogen 3.064 N/A ASP 674.A N ASN 671.A O no hydrogen 3.124 N/A ILE 676.A N VAL 666.A O no hydrogen 3.161 N/A VAL 681.A N PRO 677.A O no hydrogen 3.334 N/A GLU 682.A N ARG 678.A O no hydrogen 2.575 N/A GLU 683.A N THR 679.A O no hydrogen 2.709 N/A ALA 684.A N GLU 680.A O no hydrogen 3.114 N/A ILE 685.A N VAL 681.A O no hydrogen 2.886 N/A ARG 686.A N GLU 682.A O no hydrogen 2.576 N/A ARG 686.A NH2 GLU 683.A OE1 no hydrogen 3.299 N/A MET 687.A N GLU 683.A O no hydrogen 3.136 N/A MET 687.A N ALA 684.A O no hydrogen 3.216 N/A