Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5whs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N SER 3.A O no hydrogen 2.681 N/A GLY 8.A N VAL 5.A O no hydrogen 3.051 N/A ARG 11.A N ASP 14.A OD2 no hydrogen 2.646 N/A ARG 11.A NE GLY 9.A O no hydrogen 3.298 N/A ARG 11.A NH1 GLY 8.A O no hydrogen 2.172 N/A ASP 14.A N ARG 11.A O no hydrogen 3.128 N/A TRP 15.A N ARG 11.A O no hydrogen 3.306 N/A TRP 16.A N ASN 12.A O no hydrogen 2.889 N/A GLN 19.A N TRP 16.A O no hydrogen 3.120 N/A ARG 21.A NH1 TRP 16.A O no hydrogen 2.842 N/A LEU 25.A N LEU 22.A O no hydrogen 3.229 N/A ARG 26.A N ASN 23.A O no hydrogen 2.980 N/A ARG 26.A NH1 GLU 676.A OE2 no hydrogen 2.716 N/A ARG 26.A NH2 GLU 676.A OE2 no hydrogen 3.336 N/A GLN 27.A NE2 ASP 170.A OD1 no hydrogen 3.127 N/A HIS 28.A N GLU 168.A OE1 no hydrogen 2.897 N/A SER 32.A N THR 29.A O no hydrogen 3.389 N/A SER 32.A OG THR 29.A O no hydrogen 3.327 N/A SER 32.A OG GLU 168.A OE2 no hydrogen 2.926 N/A ASN 33.A N PRO 30.A O no hydrogen 2.856 N/A LEU 35.A N ASN 33.A OD1 no hydrogen 2.788 N/A PHE 39.A N ASP 36.A O no hydrogen 2.857 N/A TYR 41.A OH ASP 139.A OD2 no hydrogen 3.004 N/A ALA 43.A N ASP 40.A OD2 no hydrogen 3.232 N/A ALA 44.A N ASP 40.A O no hydrogen 3.106 N/A PHE 45.A N TYR 41.A O no hydrogen 2.663 N/A LYS 46.A N ALA 42.A O no hydrogen 3.069 N/A SER 47.A N ALA 43.A O no hydrogen 3.358 N/A SER 47.A N ALA 44.A O no hydrogen 3.266 N/A SER 47.A OG ALA 44.A O no hydrogen 2.813 N/A LEU 48.A N PHE 45.A O no hydrogen 2.930 N/A TYR 50.A OH GLU 409.A OE1 no hydrogen 2.251 N/A GLY 52.A N ASP 49.A OD1 no hydrogen 3.254 N/A LEU 53.A N ASP 49.A O no hydrogen 3.051 N/A LYS 54.A N TYR 50.A O no hydrogen 3.134 N/A LYS 54.A NZ GLU 150.A OE1 no hydrogen 3.215 N/A LYS 54.A NZ GLU 409.A OE2 no hydrogen 2.690 N/A LYS 55.A N GLU 51.A O no hydrogen 3.091 N/A ASP 56.A N GLY 52.A O no hydrogen 3.063 N/A LEU 57.A N LEU 53.A O no hydrogen 2.959 N/A THR 58.A N LYS 54.A O no hydrogen 2.901 N/A THR 58.A OG1 LYS 54.A O no hydrogen 2.972 N/A LYS 59.A N LYS 55.A O no hydrogen 2.938 N/A LEU 60.A N ASP 56.A O no hydrogen 2.934 N/A MET 61.A N THR 58.A O no hydrogen 3.374 N/A THR 62.A N LYS 59.A O no hydrogen 3.252 N/A ASP 63.A N LEU 60.A O no hydrogen 3.217 N/A GLN 65.A N TYR 75.A OH no hydrogen 2.642 N/A TRP 68.A N GLN 65.A O no hydrogen 3.386 N/A ALA 70.A N SER 64.A OG no hydrogen 3.160 N/A PHE 72.A N ALA 345.A O no hydrogen 3.151 N/A GLY 73.A N ALA 70.A O no hydrogen 3.404 N/A HIS 74.A N ASP 71.A O no hydrogen 2.896 N/A TYR 75.A N MET 61.A O no hydrogen 2.880 N/A TYR 75.A OH TRP 68.A O no hydrogen 2.888 N/A GLY 76.A N HIS 74.A ND1 no hydrogen 2.935 N/A PHE 79.A N TYR 75.A O no hydrogen 2.936 N/A ILE 80.A N GLY 76.A O no hydrogen 2.850 N/A ILE 80.A N GLY 77.A O no hydrogen 3.267 N/A ARG 81.A N GLY 77.A O no hydrogen 3.082 N/A ARG 81.A NH1 VAL 115.A O no hydrogen 3.080 N/A ARG 81.A NH2 VAL 115.A O no hydrogen 3.342 N/A MET 82.A N LEU 78.A O no hydrogen 2.951 N/A ALA 83.A N PHE 79.A O no hydrogen 3.210 N/A HIS 84.A ND1 ASN 114.A OD1 no hydrogen 2.631 N/A SER 85.A N MET 82.A O no hydrogen 2.953 N/A ALA 86.A N ALA 83.A O no hydrogen 3.068 N/A TYR 89.A N ALA 86.A O no hydrogen 3.422 N/A TYR 89.A OH ASP 466.A OD1 no hydrogen 3.194 N/A ARG 90.A NE ASP 93.A OD1 no hydrogen 2.974 N/A ARG 90.A NH1 TYR 174.A O no hydrogen 2.944 N/A ARG 90.A NH2 ASP 93.A OD2 no hydrogen 3.138 N/A ARG 90.A NH2 TYR 174.A O no hydrogen 3.088 N/A VAL 91.A N ARG 234.A O no hydrogen 2.934 N/A THR 92.A OG1 PRO 199.A O no hydrogen 3.019 N/A ARG 95.A N ASP 93.A OD1 no hydrogen 3.154 N/A ARG 95.A NE SER 172.A OG no hydrogen 3.237 N/A ARG 95.A NH1 ASP 93.A OD2 no hydrogen 3.269 N/A ARG 95.A NH1 ASP 584.A OD2 no hydrogen 3.218 N/A ARG 95.A NH2 ASP 584.A OD2 no hydrogen 3.253 N/A GLY 97.A N THR 88.A OG1 no hydrogen 2.837 N/A GLN 102.A NE2 GLU 168.A O no hydrogen 3.242 N/A GLN 103.A NE2 MET 82.A O no hydrogen 3.661 N/A ARG 104.A N GLY 101.A O no hydrogen 3.263 N/A PHE 105.A N GLN 102.A O no hydrogen 3.103 N/A ASN 109.A N PHE 105.A O no hydrogen 2.912 N/A ASN 109.A ND2 ARG 104.A O no hydrogen 2.931 N/A ASN 109.A ND2 GLU 269.A OE2 no hydrogen 3.273 N/A SER 110.A N PRO 107.A O no hydrogen 2.956 N/A SER 110.A OG ASN 109.A OD1 no hydrogen 2.799 N/A TRP 111.A N LEU 108.A O no hydrogen 3.486 N/A ASP 113.A N GLY 206.A O no hydrogen 3.176 N/A ASN 114.A N TRP 111.A O no hydrogen 2.958 N/A ASN 114.A ND2 LEU 108.A O no hydrogen 2.970 N/A SER 116.A OG THR 294.A OG1 no hydrogen 3.055 N/A LEU 117.A N ASN 114.A O no hydrogen 3.150 N/A LYS 119.A NZ ASP 118.A OD1 no hydrogen 3.536 N/A LYS 119.A NZ GLY 279.A O no hydrogen 2.621 N/A ALA 120.A N SER 116.A O no hydrogen 3.195 N/A ARG 121.A N LEU 117.A O no hydrogen 2.948 N/A ARG 121.A NH1 GLN 103.A OE1 no hydrogen 3.165 N/A ARG 122.A N ASP 118.A O no hydrogen 3.127 N/A ARG 122.A NH1 GLN 276.A O no hydrogen 3.167 N/A ARG 122.A NH2 GLN 276.A O no hydrogen 2.934 N/A LEU 123.A N LYS 119.A O no hydrogen 2.930 N/A LEU 124.A N ARG 121.A O no hydrogen 3.069 N/A TRP 125.A N ARG 122.A O no hydrogen 3.128 N/A LYS 128.A N LEU 124.A O no hydrogen 2.992 N/A LYS 128.A NZ GLY 132.A O no hydrogen 2.979 N/A LYS 128.A NZ ILE 135.A O no hydrogen 2.699 N/A GLN 129.A N TRP 125.A O no hydrogen 2.703 N/A LYS 130.A N PRO 126.A O no hydrogen 2.992 N/A LYS 130.A NZ ASP 56.A OD2 no hydrogen 2.865 N/A LYS 130.A NZ TYR 131.A OH no hydrogen 3.456 N/A TYR 131.A N ILE 127.A O no hydrogen 3.235 N/A TYR 131.A OH ASP 56.A OD2 no hydrogen 2.385 N/A GLY 132.A N LYS 128.A O no hydrogen 3.074 N/A LYS 134.A N TYR 131.A O no hydrogen 3.307 N/A SER 136.A N TYR 41.A OH no hydrogen 2.930 N/A SER 136.A OG TYR 41.A OH no hydrogen 3.118 N/A SER 136.A OG ARG 163.A O no hydrogen 2.557 N/A TRP 137.A N ASP 165.A OD2 no hydrogen 3.043 N/A SER 138.A N ASP 165.A OD1 no hydrogen 3.252 N/A SER 138.A OG PRO 164.A O no hydrogen 3.116 N/A SER 138.A OG ASP 165.A OD1 no hydrogen 3.302 N/A ASP 139.A N SER 136.A OG no hydrogen 3.063 N/A LEU 140.A N SER 136.A O no hydrogen 2.687 N/A LEU 141.A N TRP 137.A O no hydrogen 2.889 N/A LEU 142.A N ASP 139.A O no hydrogen 3.083 N/A LEU 143.A N ASP 139.A O no hydrogen 2.824 N/A THR 144.A N LEU 140.A O no hydrogen 3.046 N/A THR 144.A OG1 LEU 140.A O no hydrogen 2.920 N/A ASN 146.A N LEU 142.A O no hydrogen 3.290 N/A ASN 146.A ND2 GLY 158.A O no hydrogen 3.277 N/A VAL 147.A N LEU 143.A O no hydrogen 2.840 N/A ALA 148.A N THR 144.A O no hydrogen 2.878 N/A LEU 149.A N GLY 145.A O no hydrogen 3.321 N/A GLU 150.A N ASN 146.A O no hydrogen 3.090 N/A SER 151.A N VAL 147.A O no hydrogen 2.807 N/A SER 151.A OG HIS 74.A NE2 no hydrogen 3.340 N/A SER 151.A OG VAL 147.A O no hydrogen 3.259 N/A SER 151.A OG ALA 148.A O no hydrogen 2.714 N/A MET 152.A N LEU 149.A O no hydrogen 2.903 N/A GLY 153.A N GLU 150.A O no hydrogen 3.125 N/A PHE 154.A N LEU 149.A O no hydrogen 3.107 N/A PHE 159.A N GLU 409.A O no hydrogen 2.777 N/A ALA 160.A N HIS 396.A NE2 no hydrogen 2.953 N/A GLY 161.A N ILE 406.A O no hydrogen 2.854 N/A GLY 162.A N ASP 139.A OD2 no hydrogen 2.850 N/A ARG 163.A N ASP 139.A OD1 no hydrogen 3.097 N/A ARG 163.A NE ASP 139.A OD1 no hydrogen 2.670 N/A ARG 163.A NH2 ASP 139.A OD1 no hydrogen 3.423 N/A THR 166.A OG1 GLU 100.A O no hydrogen 2.758 N/A ASP 170.A N GLN 102.A OE1 no hydrogen 2.827 N/A GLU 171.A N GLN 27.A OE1 no hydrogen 2.912 N/A SER 172.A N ASP 170.A OD1 no hydrogen 3.410 N/A SER 172.A OG ASP 170.A OD1 no hydrogen 3.421 N/A SER 172.A OG ASP 170.A OD2 no hydrogen 3.178 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.868 N/A LEU 182.A N MET 205.A O no hydrogen 2.782 N/A GLY 183.A N THR 180.A O no hydrogen 3.018 N/A ASN 184.A ND2 SER 203.A O no hydrogen 2.612 N/A ARG 187.A N GLU 178.A OE2 no hydrogen 3.276 N/A ARG 187.A NE GLU 178.A OE2 no hydrogen 2.992 N/A ARG 187.A NH1 SER 202.A O no hydrogen 2.398 N/A ARG 187.A NH2 GLU 178.A OE1 no hydrogen 3.162 N/A SER 189.A OG TYR 188.A O no hydrogen 1.935 N/A ARG 194.A NH1 ASP 216.A OD1 no hydrogen 3.452 N/A ARG 194.A NH2 ASP 216.A OD1 no hydrogen 3.415 N/A ARG 194.A NH2 ASP 216.A OD2 no hydrogen 3.124 N/A GLN 197.A N ARG 187.A O no hydrogen 3.125 N/A LEU 200.A N GLN 197.A O no hydrogen 2.899 N/A SER 202.A OG HIS 204.A O no hydrogen 3.177 N/A SER 202.A OG LEU 207.A O no hydrogen 2.652 N/A SER 202.A OG TYR 209.A O no hydrogen 3.306 N/A SER 203.A N TYR 209.A O no hydrogen 3.001 N/A SER 203.A OG TYR 209.A O no hydrogen 3.396 N/A HIS 204.A ND1 LEU 182.A O no hydrogen 2.303 N/A MET 205.A N GLY 183.A O no hydrogen 2.963 N/A LEU 207.A N HIS 204.A O no hydrogen 3.362 N/A ILE 208.A N ASP 113.A OD2 no hydrogen 2.794 N/A ASN 211.A ND2 HIS 204.A NE2 no hydrogen 3.366 N/A GLU 213.A N ASN 211.A OD1 no hydrogen 3.012 N/A GLY 214.A N ASN 211.A O no hydrogen 3.367 N/A GLY 217.A N GLY 214.A O no hydrogen 2.654 N/A ILE 218.A N PRO 215.A O no hydrogen 2.988 N/A ALA 223.A N ASP 220.A OD1 no hydrogen 3.488 N/A SER 224.A N ASP 220.A O no hydrogen 2.874 N/A ALA 225.A N PRO 221.A O no hydrogen 2.801 N/A ALA 225.A N VAL 222.A O no hydrogen 2.725 N/A LYS 226.A N VAL 222.A O no hydrogen 3.306 N/A ILE 228.A N SER 224.A O no hydrogen 3.104 N/A ARG 229.A N ALA 225.A O no hydrogen 3.107 N/A ARG 229.A NE ASP 239.A OD1 no hydrogen 2.893 N/A ARG 229.A NE ASP 239.A OD2 no hydrogen 3.260 N/A ARG 229.A NH1 ASP 366.A OD1 no hydrogen 3.304 N/A ARG 229.A NH2 ASP 239.A OD1 no hydrogen 3.528 N/A ARG 229.A NH2 ASP 239.A OD2 no hydrogen 3.257 N/A ARG 229.A NH2 ASP 366.A OD2 no hydrogen 2.912 N/A VAL 230.A N LYS 226.A O no hydrogen 3.333 N/A THR 231.A N ASP 227.A O no hydrogen 2.928 N/A THR 231.A OG1 ASP 227.A O no hydrogen 2.796 N/A THR 231.A OG1 ILE 228.A O no hydrogen 3.376 N/A PHE 232.A N ILE 228.A O no hydrogen 2.871 N/A GLY 233.A N ARG 229.A O no hydrogen 2.909 N/A ARG 234.A N VAL 230.A O no hydrogen 2.962 N/A ARG 234.A NH1 LEU 196.A O no hydrogen 3.260 N/A ARG 234.A NH1 GLN 197.A O no hydrogen 3.349 N/A ARG 234.A NH1 LEU 200.A O no hydrogen 2.815 N/A ARG 234.A NH2 LEU 196.A O no hydrogen 2.658 N/A MET 235.A N PHE 232.A O no hydrogen 3.265 N/A ALA 236.A N GLY 233.A O no hydrogen 3.034 N/A MET 237.A N PHE 232.A O no hydrogen 2.741 N/A ASN 238.A N GLU 241.A OE1 no hydrogen 3.215 N/A GLU 241.A N ASN 238.A OD1 no hydrogen 2.726 N/A THR 242.A N ASN 238.A O no hydrogen 2.875 N/A THR 242.A OG1 ASN 238.A O no hydrogen 2.775 N/A VAL 243.A N ASP 239.A O no hydrogen 3.092 N/A ALA 244.A N GLU 240.A O no hydrogen 3.128 N/A LEU 245.A N GLU 241.A O no hydrogen 3.066 N/A ILE 246.A N THR 242.A O no hydrogen 3.135 N/A ALA 247.A N VAL 243.A O no hydrogen 3.019 N/A GLY 248.A N ALA 244.A O no hydrogen 2.967 N/A GLY 249.A N LEU 245.A O no hydrogen 2.895 N/A HIS 250.A N ILE 246.A O no hydrogen 2.839 N/A PHE 252.A N GLY 249.A O no hydrogen 3.169 N/A GLY 253.A N PRO 305.A O no hydrogen 3.315 N/A LYS 254.A NZ GLU 298.A OE1 no hydrogen 3.290 N/A THR 255.A N VAL 299.A O no hydrogen 2.876 N/A THR 255.A OG1 LEU 297.A O no hydrogen 1.617 N/A HIS 256.A NE2 ASP 71.A OD2 no hydrogen 2.912 N/A GLY 257.A N GLU 298.A OE2 no hydrogen 2.954 N/A ALA 258.A N THR 292.A O no hydrogen 3.326 N/A HIS 263.A N PRO 260.A O no hydrogen 3.388 N/A HIS 263.A ND1 SER 283.A OG no hydrogen 2.931 N/A VAL 264.A N THR 261.A O no hydrogen 3.023 N/A GLY 265.A N ALA 281.A O no hydrogen 2.679 N/A GLU 267.A N GLU 267.A OE1 no hydrogen 2.327 N/A GLU 269.A N SER 110.A OG no hydrogen 3.163 N/A ALA 270.A N GLU 267.A O no hydrogen 2.863 N/A ALA 271.A N PRO 268.A O no hydrogen 3.369 N/A GLU 274.A N GLU 274.A OE2 no hydrogen 2.719 N/A HIS 275.A N PRO 272.A O no hydrogen 3.092 N/A GLN 276.A N ILE 273.A O no hydrogen 3.225 N/A LEU 278.A N HIS 275.A O no hydrogen 3.379 N/A GLY 279.A N ASP 118.A OD2 no hydrogen 3.112 N/A TRP 280.A N LYS 266.A O no hydrogen 2.555 N/A ASN 282.A ND2 ASP 291.A O no hydrogen 3.018 N/A SER 283.A N HIS 263.A O no hydrogen 2.890 N/A SER 283.A OG HIS 263.A ND1 no hydrogen 2.931 N/A SER 283.A OG HIS 263.A O no hydrogen 3.136 N/A PHE 284.A N ASN 282.A OD1 no hydrogen 2.843 N/A GLN 286.A N ASP 291.A OD2 no hydrogen 3.072 N/A ASP 291.A N LYS 288.A O no hydrogen 3.186 N/A THR 292.A OG1 GLY 289.A O no hydrogen 2.706 N/A THR 294.A N HIS 256.A O no hydrogen 2.855 N/A THR 294.A OG1 SER 116.A OG no hydrogen 3.055 N/A SER 295.A N HIS 256.A O no hydrogen 3.235 N/A GLY 296.A N HIS 256.A O no hydrogen 3.165 N/A LEU 297.A N SER 295.A OG no hydrogen 3.309 N/A GLU 298.A N GLN 332.A OE1 no hydrogen 3.113 N/A VAL 299.A N THR 255.A OG1 no hydrogen 3.079 N/A THR 300.A N THR 355.A OG1 no hydrogen 3.247 N/A TRP 301.A NE1 ASP 360.A OD2 no hydrogen 2.713 N/A THR 302.A OG1 SER 251.A O no hydrogen 3.220 N/A LYS 307.A N THR 304.A O no hydrogen 3.277 N/A TRP 308.A N MET 152.A O no hydrogen 3.031 N/A TYR 312.A OH ASP 360.A OD1 no hydrogen 2.769 N/A GLU 314.A N MET 310.A O no hydrogen 3.079 N/A TYR 315.A N GLY 311.A O no hydrogen 2.951 N/A TYR 315.A OH THR 341.A OG1 no hydrogen 3.332 N/A LEU 316.A N TYR 312.A O no hydrogen 3.097 N/A TYR 317.A N LEU 313.A O no hydrogen 3.282 N/A TYR 317.A N GLU 314.A O no hydrogen 3.183 N/A TYR 317.A OH ASP 370.A OD1 no hydrogen 2.832 N/A LYS 318.A N TYR 315.A O no hydrogen 3.226 N/A PHE 319.A N TYR 315.A O no hydrogen 3.357 N/A GLU 322.A N VAL 334.A O no hydrogen 2.738 N/A THR 324.A N GLN 332.A O no hydrogen 2.771 N/A LYS 325.A N THR 324.A OG1 no hydrogen 2.533 N/A SER 326.A N ALA 330.A O no hydrogen 2.929 N/A SER 326.A OG GLY 296.A O no hydrogen 2.369 N/A ALA 328.A N SER 326.A OG no hydrogen 3.358 N/A GLY 329.A N SER 326.A O no hydrogen 2.704 N/A ALA 330.A N SER 326.A OG no hydrogen 3.201 N/A ASN 331.A N GLU 213.A OE1 no hydrogen 3.008 N/A GLN 332.A N THR 324.A O no hydrogen 3.273 N/A GLN 332.A NE2 GLU 298.A O no hydrogen 2.751 N/A TRP 333.A N MET 356.A O no hydrogen 3.094 N/A TRP 333.A NE1 THR 358.A OG1 no hydrogen 3.085 N/A VAL 334.A N GLU 322.A O no hydrogen 2.883 N/A ALA 335.A N PRO 354.A O no hydrogen 3.233 N/A LYS 336.A N ASP 320.A O no hydrogen 2.906 N/A THR 341.A OG1 TYR 315.A OH no hydrogen 3.332 N/A ILE 342.A N LYS 352.A O no hydrogen 3.395 N/A TYR 346.A N ASP 344.A OD1 no hydrogen 2.703 N/A TYR 346.A OH ASP 71.A OD1 no hydrogen 2.994 N/A ASP 347.A N ASP 344.A OD1 no hydrogen 2.753 N/A ASN 349.A N ASP 347.A OD1 no hydrogen 3.256 N/A LYS 352.A N ILE 342.A O no hydrogen 2.635 N/A THR 355.A OG1 THR 300.A O no hydrogen 3.232 N/A MET 356.A N TRP 333.A O no hydrogen 3.109 N/A LEU 357.A N ASP 360.A OD2 no hydrogen 3.249 N/A THR 358.A OG1 GLU 213.A O no hydrogen 3.061 N/A ASP 360.A N LEU 357.A O no hydrogen 3.036 N/A ILE 361.A N LEU 357.A O no hydrogen 3.029 N/A ALA 362.A N THR 358.A O no hydrogen 2.937 N/A LEU 363.A N ASP 360.A O no hydrogen 2.847 N/A ARG 364.A N ILE 361.A O no hydrogen 3.062 N/A ARG 364.A NH1 PHE 319.A O no hydrogen 3.041 N/A ASP 366.A N ALA 362.A O no hydrogen 3.323 N/A TYR 369.A N ASP 366.A OD2 no hydrogen 2.894 N/A ASP 370.A N ASP 366.A O no hydrogen 2.903 N/A ILE 372.A N ALA 368.A O no hydrogen 3.408 N/A CYS 373.A N TYR 369.A O no hydrogen 2.813 N/A CYS 373.A SG LEU 363.A O no hydrogen 3.341 N/A CYS 373.A SG TYR 369.A O no hydrogen 3.455 N/A ARG 374.A N ASP 370.A O no hydrogen 2.942 N/A ASP 375.A N LYS 371.A O no hydrogen 3.245 N/A TYR 376.A N ILE 372.A O no hydrogen 3.152 N/A TYR 376.A OH GLU 240.A O no hydrogen 3.036 N/A LEU 377.A N CYS 373.A O no hydrogen 3.168 N/A ALA 378.A N ARG 374.A O no hydrogen 2.925 N/A ASN 379.A N ASP 375.A O no hydrogen 2.891 N/A ASN 379.A N TYR 376.A O no hydrogen 3.250 N/A ASN 379.A ND2 ASP 375.A O no hydrogen 3.032 N/A ALA 384.A N PRO 380.A O no hydrogen 3.423 N/A ASP 385.A N ASP 381.A O no hydrogen 3.209 N/A ALA 386.A N LYS 382.A O no hydrogen 2.843 N/A PHE 387.A N PHE 383.A O no hydrogen 2.939 N/A ALA 388.A N ALA 384.A O no hydrogen 3.189 N/A ARG 389.A N ASP 385.A O no hydrogen 3.157 N/A ARG 389.A NH1 ASP 385.A OD1 no hydrogen 3.428 N/A ALA 390.A N ALA 386.A O no hydrogen 2.843 N/A TRP 391.A N PHE 387.A O no hydrogen 2.771 N/A TRP 391.A NE1 ASN 146.A OD1 no hydrogen 2.612 N/A PHE 392.A N ALA 388.A O no hydrogen 2.955 N/A LYS 393.A N ARG 389.A O no hydrogen 2.960 N/A LYS 393.A NZ ALA 236.A O no hydrogen 3.050 N/A LEU 394.A N ALA 390.A O no hydrogen 2.699 N/A LEU 395.A N TRP 391.A O no hydrogen 2.958 N/A HIS 396.A N LYS 393.A O no hydrogen 3.275 N/A HIS 396.A ND1 PHE 392.A O no hydrogen 2.733 N/A ARG 397.A NH2 ALA 86.A O no hydrogen 3.073 N/A ARG 397.A NH2 TYR 209.A OH no hydrogen 3.003 N/A MET 399.A N HIS 396.A O no hydrogen 3.375 N/A ARG 402.A NH1 GLU 418.A OE2 no hydrogen 2.865 N/A ARG 402.A NH2 PRO 411.A O no hydrogen 2.516 N/A ARG 404.A N PRO 401.A O no hydrogen 2.857 N/A ARG 404.A NE MET 399.A O no hydrogen 2.652 N/A ARG 404.A NH2 MET 399.A O no hydrogen 2.957 N/A TRP 405.A N ARG 402.A O no hydrogen 2.847 N/A ILE 406.A N GLY 161.A O no hydrogen 3.050 N/A LEU 415.A N GLU 418.A OE1 no hydrogen 2.762 N/A GLN 427.A NE2 ILE 428.A O no hydrogen 3.535 N/A ASP 430.A N ASP 433.A OD2 no hydrogen 2.894 N/A ASP 433.A N ASP 430.A O no hydrogen 2.407 N/A ASP 433.A N ASP 430.A OD1 no hydrogen 3.250 N/A ILE 434.A N ASP 430.A O no hydrogen 3.362 N/A ALA 435.A N ASP 431.A O no hydrogen 3.220 N/A ALA 436.A N ASN 432.A O no hydrogen 3.282 N/A LEU 437.A N ASP 433.A O no hydrogen 3.139 N/A LYS 438.A N ILE 434.A O no hydrogen 2.929 N/A LYS 438.A NZ GLU 530.A OE1 no hydrogen 1.988 N/A LYS 439.A N ALA 435.A O no hydrogen 3.329 N/A GLU 440.A N ALA 436.A O no hydrogen 3.185 N/A ILE 441.A N LEU 437.A O no hydrogen 2.906 N/A LEU 442.A N LYS 438.A O no hydrogen 3.286 N/A ALA 443.A N LYS 439.A O no hydrogen 3.218 N/A THR 444.A N ILE 441.A O no hydrogen 3.284 N/A GLY 445.A N LEU 442.A O no hydrogen 3.355 N/A LYS 450.A N ALA 447.A O no hydrogen 2.741 N/A LYS 450.A NZ GLU 494.A OE1 no hydrogen 3.507 N/A LEU 451.A N ALA 447.A O no hydrogen 3.285 N/A LEU 451.A N PRO 448.A O no hydrogen 3.159 N/A ILE 452.A N PRO 448.A O no hydrogen 3.277 N/A PHE 453.A N LYS 449.A O no hydrogen 3.310 N/A VAL 454.A N LYS 450.A O no hydrogen 3.228 N/A ALA 455.A N LEU 451.A O no hydrogen 3.420 N/A TRP 456.A N ILE 452.A O no hydrogen 2.826 N/A SER 457.A N PHE 453.A O no hydrogen 2.898 N/A SER 457.A OG PHE 453.A O no hydrogen 2.647 N/A SER 458.A N VAL 454.A O no hydrogen 2.891 N/A ALA 459.A N ALA 455.A O no hydrogen 3.146 N/A SER 460.A N TRP 456.A O no hydrogen 2.817 N/A PHE 462.A N ALA 459.A O no hydrogen 3.385 N/A ARG 463.A N ARG 468.A O no hydrogen 3.064 N/A ARG 463.A NH1 VAL 91.A O no hydrogen 3.009 N/A ARG 463.A NH2 VAL 91.A O no hydrogen 3.110 N/A GLY 464.A N LEU 588.A O no hydrogen 2.684 N/A SER 465.A OG ASP 93.A O no hydrogen 3.248 N/A LYS 467.A N ARG 463.A O no hydrogen 2.870 N/A LYS 467.A NZ SER 465.A O no hydrogen 3.157 N/A GLY 470.A N SER 461.A OG no hydrogen 3.108 N/A ASN 472.A N ASP 708.A OD2 no hydrogen 3.021 N/A GLY 473.A N ASN 544.A O no hydrogen 2.943 N/A ALA 474.A N ALA 471.A O no hydrogen 2.992 N/A ARG 475.A NH1 THR 551.A OG1 no hydrogen 2.687 N/A ARG 475.A NH2 TYR 420.A O no hydrogen 3.291 N/A ARG 477.A N ALA 474.A O no hydrogen 3.337 N/A ARG 477.A NE ALA 474.A O no hydrogen 3.064 N/A ARG 477.A NH2 GLY 473.A O no hydrogen 3.002 N/A ARG 477.A NH2 ALA 474.A O no hydrogen 3.176 N/A ARG 477.A NH2 ALA 546.A O no hydrogen 2.576 N/A LEU 478.A N ARG 475.A O no hydrogen 2.922 N/A ASN 482.A N LEU 478.A O no hydrogen 2.847 N/A ASN 482.A ND2 ARG 477.A O no hydrogen 3.510 N/A GLU 483.A N PRO 480.A O no hydrogen 3.045 N/A TRP 484.A N GLN 481.A O no hydrogen 3.145 N/A ASN 487.A N TRP 484.A O no hydrogen 3.039 N/A ASN 487.A ND2 GLN 481.A O no hydrogen 3.272 N/A ASP 488.A N LYS 485.A O no hydrogen 3.304 N/A THR 491.A OG1 ASP 488.A OD2 no hydrogen 2.693 N/A LEU 492.A N ASP 488.A O no hydrogen 3.003 N/A ARG 493.A N PRO 489.A O no hydrogen 3.375 N/A GLU 494.A N SER 490.A O no hydrogen 3.428 N/A VAL 495.A N THR 491.A O no hydrogen 3.098 N/A LEU 496.A N LEU 492.A O no hydrogen 3.035 N/A ALA 497.A N ARG 493.A O no hydrogen 2.923 N/A ALA 498.A N GLU 494.A O no hydrogen 3.200 N/A LEU 499.A N VAL 495.A O no hydrogen 3.174 N/A GLU 500.A N LEU 496.A O no hydrogen 2.841 N/A SER 501.A N ALA 497.A O no hydrogen 3.157 N/A SER 501.A OG ALA 497.A O no hydrogen 3.411 N/A VAL 502.A N ALA 498.A O no hydrogen 3.338 N/A VAL 502.A N LEU 499.A O no hydrogen 3.080 N/A GLN 503.A N LEU 499.A O no hydrogen 3.022 N/A GLN 503.A NE2 VAL 515.A O no hydrogen 3.243 N/A GLN 504.A N GLU 500.A O no hydrogen 3.146 N/A LYS 505.A N SER 501.A O no hydrogen 3.506 N/A PHE 506.A N VAL 502.A O no hydrogen 3.302 N/A ASN 507.A N GLN 503.A O no hydrogen 3.064 N/A ASN 507.A ND2 VAL 515.A O no hydrogen 3.630 N/A ASP 508.A N GLN 504.A O no hydrogen 3.019 N/A SER 510.A OG PHE 506.A O no hydrogen 3.471 N/A LYS 513.A NZ ASP 430.A OD2 no hydrogen 3.297 N/A LYS 513.A NZ ASP 433.A OD2 no hydrogen 3.200 N/A LYS 514.A N GLN 427.A O no hydrogen 3.317 N/A LYS 514.A NZ ASN 507.A O no hydrogen 2.981 N/A VAL 515.A N ASN 507.A OD1 no hydrogen 3.141 N/A SER 516.A OG ARG 543.A O no hydrogen 2.518 N/A LEU 517.A N ASP 545.A OD1 no hydrogen 2.948 N/A ALA 518.A N ASP 545.A OD1 no hydrogen 3.103 N/A ASP 519.A N SER 516.A OG no hydrogen 3.218 N/A LEU 520.A N SER 516.A O no hydrogen 3.350 N/A ILE 521.A N LEU 517.A O no hydrogen 3.124 N/A ILE 521.A N ALA 518.A O no hydrogen 3.318 N/A VAL 522.A N ALA 518.A O no hydrogen 3.379 N/A LEU 523.A N ASP 519.A O no hydrogen 2.999 N/A GLY 524.A N LEU 520.A O no hydrogen 3.224 N/A VAL 526.A N VAL 522.A O no hydrogen 3.251 N/A ALA 527.A N LEU 523.A O no hydrogen 2.989 N/A ALA 528.A N GLY 524.A O no hydrogen 3.221 N/A LEU 529.A N GLY 525.A O no hydrogen 2.706 N/A GLU 530.A N VAL 526.A O no hydrogen 2.850 N/A GLN 531.A N ALA 527.A O no hydrogen 3.039 N/A SER 533.A N GLU 530.A O no hydrogen 3.238 N/A SER 533.A OG LEU 529.A O no hydrogen 2.994 N/A SER 533.A OG GLU 530.A O no hydrogen 3.498 N/A GLY 534.A N GLU 530.A O no hydrogen 2.946 N/A LEU 535.A N SER 533.A OG no hydrogen 2.945 N/A VAL 537.A N GLU 530.A OE2 no hydrogen 2.737 N/A GLY 542.A N ASP 519.A OD2 no hydrogen 3.010 N/A ARG 543.A N ASP 519.A OD1 no hydrogen 3.013 N/A ARG 543.A NH1 ASP 519.A OD1 no hydrogen 3.196 N/A ARG 543.A NH1 THR 540.A O no hydrogen 3.065 N/A ARG 543.A NH2 MET 705.A O no hydrogen 2.955 N/A ASN 544.A N ASN 472.A OD1 no hydrogen 3.044 N/A ASP 545.A N ASN 544.A OD1 no hydrogen 2.545 N/A ALA 546.A N GLY 473.A O no hydrogen 2.810 N/A HIS 550.A N THR 547.A O no hydrogen 3.291 N/A THR 551.A N GLN 548.A O no hydrogen 3.260 N/A THR 551.A OG1 THR 547.A O no hydrogen 2.966 N/A HIS 554.A N ASP 552.A OD1 no hydrogen 3.048 N/A PHE 556.A N ASP 552.A O no hydrogen 3.453 N/A THR 557.A N HIS 554.A O no hydrogen 3.293 N/A LEU 559.A N PHE 556.A O no hydrogen 3.372 N/A ASP 564.A N TYR 569.A O no hydrogen 2.671 N/A PHE 566.A N ASP 564.A OD1 no hydrogen 3.256 N/A ARG 567.A N ASP 564.A O no hydrogen 3.083 N/A ARG 567.A NE ASP 564.A OD2 no hydrogen 2.835 N/A ARG 567.A NH1 ASN 487.A OD1 no hydrogen 2.793 N/A ARG 567.A NH2 ASP 564.A OD2 no hydrogen 2.936 N/A SER 568.A N GLY 565.A O no hydrogen 3.402 N/A TYR 569.A N ASP 564.A O no hydrogen 3.024 N/A LYS 571.A NZ GLU 646.A OE2 no hydrogen 2.701 N/A GLY 572.A N THR 578.A OG1 no hydrogen 3.240 N/A THR 573.A N VAL 576.A O no hydrogen 2.763 N/A THR 573.A OG1 VAL 576.A O no hydrogen 3.551 N/A ARG 575.A N THR 573.A OG1 no hydrogen 3.403 N/A ARG 575.A NH2 ASP 186.A OD1 no hydrogen 2.908 N/A ARG 575.A NH2 ASP 186.A OD2 no hydrogen 2.414 N/A VAL 576.A N THR 573.A OG1 no hydrogen 3.089 N/A ARG 577.A N GLN 580.A OE1 no hydrogen 2.766 N/A ARG 577.A NE GLU 579.A OE2 no hydrogen 3.161 N/A ARG 577.A NH1 ALA 18.A O no hydrogen 2.722 N/A ARG 577.A NH2 ALA 18.A O no hydrogen 2.984 N/A THR 578.A OG1 GLU 648.A OE1 no hydrogen 2.611 N/A THR 578.A OG1 GLU 648.A OE2 no hydrogen 2.720 N/A GLU 579.A N GLU 579.A OE1 no hydrogen 2.696 N/A GLN 580.A N ARG 577.A O no hydrogen 2.806 N/A PHE 581.A N ARG 577.A O no hydrogen 3.207 N/A PHE 581.A N THR 578.A O no hydrogen 2.962 N/A LEU 582.A N THR 578.A O no hydrogen 3.309 N/A ILE 583.A N GLU 579.A O no hydrogen 3.332 N/A ASP 584.A N GLN 580.A O no hydrogen 3.172 N/A ARG 585.A N PHE 581.A O no hydrogen 3.061 N/A ARG 585.A NH2 SER 460.A O no hydrogen 2.929 N/A ALA 586.A N LEU 582.A O no hydrogen 2.962 N/A SER 587.A N ILE 583.A O no hydrogen 3.179 N/A LEU 588.A N ASP 584.A O no hydrogen 3.135 N/A LEU 589.A N ARG 585.A O no hydrogen 3.096 N/A THR 590.A N SER 587.A O no hydrogen 2.862 N/A THR 590.A OG1 LEU 589.A O no hydrogen 2.414 N/A LEU 591.A N ALA 586.A O no hydrogen 2.965 N/A SER 592.A N GLU 595.A OE2 no hydrogen 3.126 N/A GLU 595.A N SER 592.A OG no hydrogen 3.148 N/A LEU 596.A N SER 592.A O no hydrogen 3.005 N/A THR 597.A N ALA 593.A O no hydrogen 2.993 N/A THR 597.A OG1 ALA 593.A O no hydrogen 2.912 N/A ALA 598.A N PRO 594.A O no hydrogen 2.907 N/A LEU 599.A N GLU 595.A O no hydrogen 3.058 N/A ILE 600.A N LEU 596.A O no hydrogen 3.289 N/A GLY 601.A N THR 597.A O no hydrogen 3.255 N/A GLY 602.A N ALA 598.A O no hydrogen 3.026 N/A LEU 603.A N LEU 599.A O no hydrogen 2.839 N/A ARG 604.A N ILE 600.A O no hydrogen 3.014 N/A ARG 604.A NH1 ASP 668.A OD1 no hydrogen 3.097 N/A ARG 604.A NH2 GLY 565.A O no hydrogen 2.280 N/A VAL 605.A N GLY 601.A O no hydrogen 3.267 N/A LEU 606.A N GLY 602.A O no hydrogen 3.040 N/A GLU 607.A N ARG 604.A O no hydrogen 3.069 N/A ALA 608.A N LEU 603.A O no hydrogen 2.956 N/A TYR 610.A N ARG 567.A O no hydrogen 3.077 N/A GLY 612.A N ASN 609.A O no hydrogen 3.351 N/A SER 613.A OG ASN 609.A OD1 no hydrogen 3.409 N/A SER 613.A OG ASP 611.A OD1 no hydrogen 3.490 N/A GLY 616.A N THR 663.A O no hydrogen 2.914 N/A VAL 617.A N SER 614.A O no hydrogen 3.460 N/A THR 619.A OG1 ASP 628.A OD2 no hydrogen 2.416 N/A THR 621.A N THR 619.A OG1 no hydrogen 3.184 N/A GLY 623.A N VAL 605.A O no hydrogen 2.894 N/A LYS 624.A N THR 621.A O no hydrogen 3.264 N/A LEU 625.A N ALA 532.A O no hydrogen 2.931 N/A ASN 627.A ND2 TYR 684.A O no hydrogen 2.730 N/A ASP 628.A N THR 626.A OG1 no hydrogen 3.353 N/A TYR 629.A OH ASP 668.A OD1 no hydrogen 2.719 N/A VAL 631.A N ASN 627.A O no hydrogen 3.174 N/A ASN 632.A N ASP 628.A O no hydrogen 2.967 N/A ASN 632.A ND2 LEU 618.A O no hydrogen 2.499 N/A LEU 633.A N TYR 629.A O no hydrogen 2.948 N/A LEU 634.A N PHE 630.A O no hydrogen 3.094 N/A THR 638.A N ASP 635.A O no hydrogen 3.351 N/A ALA 639.A N TYR 653.A O no hydrogen 2.914 N/A LYS 641.A N ILE 651.A O no hydrogen 2.985 N/A ALA 643.A N VAL 649.A O no hydrogen 2.936 N/A GLU 646.A N ASP 644.A OD1 no hydrogen 3.286 N/A PHE 650.A N ALA 664.A O no hydrogen 2.633 N/A ILE 651.A N LYS 641.A O no hydrogen 2.910 N/A GLY 652.A N TRP 662.A O no hydrogen 2.798 N/A TYR 653.A N ALA 639.A O no hydrogen 2.847 N/A ASP 654.A N ASP 659.A O no hydrogen 2.839 N/A ARG 655.A N ASN 637.A O no hydrogen 3.139 N/A ARG 655.A NE THR 636.A O no hydrogen 2.808 N/A ARG 655.A NE THR 638.A O no hydrogen 3.315 N/A ARG 655.A NH2 THR 638.A O no hydrogen 3.464 N/A LYS 656.A NZ ASP 654.A OD1 no hydrogen 3.084 N/A LYS 656.A NZ ASP 654.A OD2 no hydrogen 3.097 N/A THR 657.A N ASP 654.A OD1 no hydrogen 3.078 N/A ASP 659.A N THR 657.A OG1 no hydrogen 3.138 N/A LYS 661.A N GLY 652.A O no hydrogen 2.753 N/A TRP 662.A N GLY 652.A O no hydrogen 2.929 N/A THR 663.A OG1 SER 614.A O no hydrogen 3.416 N/A ALA 664.A N PHE 650.A O no hydrogen 2.849 N/A THR 665.A N ASP 668.A OD2 no hydrogen 3.370 N/A ARG 666.A NE GLU 579.A OE1 no hydrogen 2.925 N/A ARG 666.A NH1 GLY 647.A O no hydrogen 3.139 N/A ARG 666.A NH2 GLU 579.A OE2 no hydrogen 3.083 N/A ASP 668.A N THR 665.A O no hydrogen 3.259 N/A LEU 669.A N THR 665.A O no hydrogen 3.279 N/A ILE 670.A N ARG 666.A O no hydrogen 3.362 N/A PHE 671.A N ASP 668.A O no hydrogen 3.057 N/A GLY 672.A N LEU 669.A O no hydrogen 2.880 N/A ALA 673.A N LEU 669.A O no hydrogen 2.967 N/A ALA 673.A N ILE 670.A O no hydrogen 3.189 N/A HIS 674.A N ILE 670.A O no hydrogen 2.852 N/A HIS 674.A NE2 LEU 20.A O no hydrogen 2.952 N/A LEU 677.A N HIS 674.A ND1 no hydrogen 3.397 N/A ARG 678.A N HIS 674.A O no hydrogen 2.802 N/A ARG 678.A NH1 GLY 672.A O no hydrogen 2.724 N/A ALA 679.A N ALA 675.A O no hydrogen 3.416 N/A ALA 681.A N LEU 677.A O no hydrogen 2.989 N/A GLU 682.A N ARG 678.A O no hydrogen 2.854 N/A VAL 683.A N LEU 680.A O no hydrogen 2.956 N/A TYR 684.A OH ASP 696.A OD2 no hydrogen 2.903 N/A ALA 685.A N ALA 681.A O no hydrogen 2.975 N/A GLY 689.A N ALA 686.A O no hydrogen 2.711 N/A LYS 692.A NZ ASP 696.A OD1 no hydrogen 2.959 N/A LYS 692.A NZ ASP 696.A OD2 no hydrogen 2.797 N/A PHE 693.A N GLY 689.A O no hydrogen 2.989 N/A LYS 694.A N GLU 690.A O no hydrogen 3.096 N/A LYS 694.A NZ SER 533.A O no hydrogen 3.186 N/A LYS 694.A NZ GLU 691.A OE2 no hydrogen 3.556 N/A ARG 695.A N GLU 691.A O no hydrogen 3.166 N/A ASP 696.A N LYS 692.A O no hydrogen 2.957 N/A PHE 697.A N PHE 693.A O no hydrogen 2.851 N/A VAL 698.A N LYS 694.A O no hydrogen 3.268 N/A ALA 699.A N ARG 695.A O no hydrogen 2.952 N/A ALA 700.A N ASP 696.A O no hydrogen 2.884 N/A TRP 701.A N PHE 697.A O no hydrogen 2.789 N/A HIS 702.A N VAL 698.A O no hydrogen 3.034 N/A LYS 703.A N ALA 699.A O no hydrogen 2.879 N/A LYS 703.A NZ THR 590.A O no hydrogen 2.721 N/A LYS 703.A NZ THR 590.A OG1 no hydrogen 3.278 N/A LYS 703.A NZ GLU 595.A OE2 no hydrogen 3.013 N/A VAL 704.A N ALA 700.A O no hydrogen 3.131 N/A MET 705.A N TRP 701.A O no hydrogen 3.001 N/A ASN 706.A N LYS 703.A O no hydrogen 3.122 N/A ASN 706.A ND2 HIS 702.A O no hydrogen 3.436 N/A ARG 709.A N ASN 706.A O no hydrogen 3.151 N/A ARG 709.A NE ASP 711.A OD1 no hydrogen 3.227 N/A ARG 709.A NH1 THR 540.A O no hydrogen 2.922 N/A ARG 709.A NH2 PRO 541.A O no hydrogen 3.116 N/A ARG 709.A NH2 ASP 711.A OD2 no hydrogen 3.381 N/A PHE 710.A N ASP 708.A O no hydrogen 2.752 N/A