Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wdl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N VAL 10.A O no hydrogen 3.364 N/A GLY 5.A N ILE 8.A O no hydrogen 2.852 N/A LYS 6.A N GLU 39.A OE1 no hydrogen 3.032 N/A ALA 7.A N GLU 39.A OE2 no hydrogen 2.728 N/A ILE 8.A N GLU 39.A OE2 no hydrogen 2.921 N/A THR 9.A N LYS 21.A O no hydrogen 3.145 N/A THR 11.A N GLU 19.A O no hydrogen 3.024 N/A THR 11.A OG1 THR 9.A O no hydrogen 3.433 N/A ILE 17.A N GLU 14.A O no hydrogen 2.738 N/A VAL 18.A N GLY 55.A O no hydrogen 2.821 N/A GLU 19.A N THR 11.A O no hydrogen 2.678 N/A LEU 20.A N ILE 57.A O no hydrogen 2.703 N/A LYS 21.A N THR 9.A O no hydrogen 3.437 N/A PHE 22.A N SER 59.A O no hydrogen 2.910 N/A ASP 23.A N ALA 7.A O no hydrogen 2.839 N/A LEU 24.A N ASN 30.A OD1 no hydrogen 2.674 N/A LYS 25.A N LYS 6.A O no hydrogen 3.009 N/A LYS 25.A NZ ASP 23.A OD1 no hydrogen 3.190 N/A GLU 27.A N LEU 24.A O no hydrogen 3.103 N/A ASN 30.A ND2 PHE 22.A O no hydrogen 2.967 N/A ASN 30.A ND2 PHE 65.A O no hydrogen 3.189 N/A LYS 31.A NZ GLU 27.A OE1 no hydrogen 3.321 N/A ASN 33.A N LYS 31.A O no hydrogen 3.076 N/A ARG 34.A N GLU 73.A OE1 no hydrogen 2.556 N/A THR 36.A N ASN 33.A OD1 no hydrogen 2.762 N/A THR 36.A OG1 LYS 31.A O no hydrogen 2.801 N/A THR 36.A OG1 ASN 33.A OD1 no hydrogen 2.721 N/A LEU 37.A N ASN 33.A O no hydrogen 3.104 N/A ASN 38.A N ARG 34.A O no hydrogen 3.020 N/A GLU 39.A N LEU 35.A O no hydrogen 2.998 N/A LEU 40.A N THR 36.A O no hydrogen 2.926 N/A ARG 41.A N LEU 37.A O no hydrogen 3.218 N/A ARG 41.A NE ARG 41.A O no hydrogen 3.275 N/A ARG 41.A NH1 ASP 98.A OD2 no hydrogen 2.950 N/A ARG 41.A NH2 ASP 98.A OD2 no hydrogen 3.024 N/A GLN 42.A N ASN 38.A O no hydrogen 3.169 N/A ALA 43.A N GLU 39.A O no hydrogen 2.662 N/A VAL 44.A N LEU 40.A O no hydrogen 2.679 N/A ASP 45.A N ARG 41.A O no hydrogen 2.989 N/A ALA 46.A N GLN 42.A O no hydrogen 3.097 N/A ILE 47.A N ALA 43.A O no hydrogen 3.006 N/A LYS 48.A N VAL 44.A O no hydrogen 2.749 N/A ALA 49.A N ASP 45.A O no hydrogen 2.857 N/A ASP 50.A N ALA 46.A O no hydrogen 2.901 N/A SER 52.A N ASP 50.A OD2 no hydrogen 3.078 N/A SER 52.A OG ASP 50.A OD1 no hydrogen 3.122 N/A SER 52.A OG ASP 50.A OD2 no hydrogen 2.747 N/A LYS 54.A N GLY 16.A O no hydrogen 2.773 N/A VAL 56.A N PRO 105.A O no hydrogen 2.747 N/A ILE 57.A N VAL 18.A O no hydrogen 2.775 N/A VAL 58.A N VAL 107.A O no hydrogen 2.763 N/A SER 59.A N LEU 20.A O no hydrogen 3.063 N/A SER 59.A OG GLU 19.A OE2 no hydrogen 3.267 N/A SER 60.A OG VAL 64.A O no hydrogen 2.782 N/A SER 60.A OG PHE 65.A O no hydrogen 3.220 N/A GLY 61.A N PHE 22.A O no hydrogen 3.030 N/A LYS 62.A N SER 60.A OG no hydrogen 3.242 N/A LYS 62.A NZ ASP 23.A OD2 no hydrogen 3.060 N/A LYS 62.A NZ LEU 24.A O no hydrogen 3.534 N/A LYS 62.A NZ GLU 27.A O no hydrogen 3.024 N/A PHE 65.A N ILE 113.A O no hydrogen 2.846 N/A ILE 66.A N ILE 113.A O no hydrogen 3.071 N/A VAL 67.A N ASN 30.A O no hydrogen 2.906 N/A THR 72.A OG1 ASP 70.A OD2 no hydrogen 2.835 N/A PHE 74.A N ILE 71.A O no hydrogen 2.770 N/A ASN 77.A N PHE 74.A O no hydrogen 2.932 N/A ASN 77.A ND2 ASN 77.A O no hydrogen 3.255 N/A PHE 78.A N VAL 75.A O no hydrogen 3.081 N/A LYS 79.A NZ GLU 76.A OE2 no hydrogen 3.011 N/A ILE 86.A N ASP 82.A O no hydrogen 3.011 N/A ALA 87.A N ALA 83.A O no hydrogen 3.056 N/A ASN 89.A N LEU 85.A O no hydrogen 2.953 N/A LEU 90.A N ILE 86.A O no hydrogen 2.792 N/A GLU 91.A N ALA 87.A O no hydrogen 3.001 N/A ALA 92.A N GLY 88.A O no hydrogen 3.265 N/A ASN 93.A N ASN 89.A O no hydrogen 2.783 N/A ASN 93.A ND2 GLY 148.A O no hydrogen 3.433 N/A LYS 94.A N LEU 90.A O no hydrogen 3.015 N/A LYS 94.A N GLU 91.A O no hydrogen 3.301 N/A ILE 95.A N ALA 92.A O no hydrogen 3.303 N/A SER 97.A N ASN 93.A O no hydrogen 2.775 N/A SER 97.A OG ASN 93.A O no hydrogen 2.755 N/A ASP 98.A N LYS 94.A O no hydrogen 2.783 N/A PHE 99.A N ILE 95.A O no hydrogen 2.876 N/A GLU 100.A N PHE 96.A O no hydrogen 2.845 N/A ASP 101.A N ASP 98.A O no hydrogen 2.727 N/A VAL 104.A N LEU 102.A O no hydrogen 2.620 N/A THR 106.A N ASP 126.A OD2 no hydrogen 3.243 N/A THR 106.A OG1 ASP 126.A OD2 no hydrogen 3.213 N/A VAL 107.A N VAL 56.A O no hydrogen 2.962 N/A ALA 108.A N PHE 127.A O no hydrogen 2.884 N/A ALA 109.A N VAL 58.A O no hydrogen 2.923 N/A ILE 110.A N VAL 129.A O no hydrogen 2.718 N/A ASN 111.A ND2 LYS 62.A O no hydrogen 2.827 N/A ALA 114.A N LYS 135.A O no hydrogen 3.032 N/A GLY 116.A N GLY 137.A O no hydrogen 2.958 N/A GLY 118.A N LEU 115.A O no hydrogen 2.844 N/A LEU 119.A N GLY 116.A O no hydrogen 3.144 N/A GLU 120.A N GLY 116.A O no hydrogen 3.280 N/A MET 121.A N GLY 117.A O no hydrogen 3.107 N/A CYS 122.A SG GLY 118.A O no hydrogen 3.548 N/A LEU 123.A N LEU 119.A O no hydrogen 2.811 N/A ALA 124.A N MET 121.A O no hydrogen 3.273 N/A ASP 126.A N THR 106.A O no hydrogen 2.981 N/A ASP 126.A N THR 106.A OG1 no hydrogen 2.960 N/A PHE 127.A N THR 106.A O no hydrogen 2.965 N/A ARG 128.A N ASP 186.A OD2 no hydrogen 2.761 N/A ARG 128.A NE ALA 184.A O no hydrogen 2.860 N/A ARG 128.A NH1 ASP 126.A O no hydrogen 3.110 N/A VAL 129.A N ALA 108.A O no hydrogen 2.866 N/A MET 130.A N ALA 187.A O no hydrogen 2.797 N/A ALA 131.A N ILE 110.A O no hydrogen 3.053 N/A ASP 132.A N VAL 189.A O no hydrogen 2.870 N/A ALA 134.A N ALA 131.A O no hydrogen 2.846 N/A ILE 136.A N ASN 174.A O no hydrogen 2.995 N/A GLY 137.A N ALA 114.A O no hydrogen 3.466 N/A LYS 142.A N PRO 139.A O no hydrogen 2.987 N/A LEU 143.A N GLU 140.A O no hydrogen 2.724 N/A GLY 144.A N VAL 141.A O no hydrogen 2.995 N/A TYR 146.A OH THR 258.A OG1 no hydrogen 3.051 N/A TYR 146.A OH GLU 274.A O no hydrogen 2.664 N/A PHE 149.A N GLU 120.A OE2 no hydrogen 2.716 N/A GLY 150.A N GLU 274.A OE1 no hydrogen 2.792 N/A GLY 151.A N GLU 120.A OE2 no hydrogen 2.847 N/A THR 152.A N GLU 274.A OE2 no hydrogen 2.823 N/A THR 152.A OG1 GLU 274.A OE2 no hydrogen 2.758 N/A VAL 153.A N GLY 150.A O no hydrogen 2.895 N/A ARG 154.A N GLY 150.A O no hydrogen 2.844 N/A ARG 154.A NE GLU 100.A OE2 no hydrogen 3.037 N/A ARG 154.A NH1 PHE 149.A O no hydrogen 3.379 N/A ARG 154.A NH2 GLU 100.A OE2 no hydrogen 2.914 N/A LEU 155.A N GLY 151.A O no hydrogen 3.414 N/A ARG 157.A NH2 ALA 262.A O no hydrogen 3.134 N/A LEU 158.A N ARG 154.A O no hydrogen 2.790 N/A LEU 158.A N LEU 155.A O no hydrogen 3.090 N/A ILE 159.A N LEU 155.A O no hydrogen 2.888 N/A ASN 163.A ND2 ILE 159.A O no hydrogen 2.736 N/A ALA 164.A N GLY 160.A O no hydrogen 2.807 N/A VAL 165.A N VAL 161.A O no hydrogen 2.778 N/A GLU 166.A N ASP 162.A O no hydrogen 3.101 N/A TRP 167.A N ASN 163.A O no hydrogen 2.977 N/A ILE 168.A N ALA 164.A O no hydrogen 2.773 N/A ALA 169.A N VAL 165.A O no hydrogen 2.899 N/A SER 170.A N GLU 166.A O no hydrogen 3.225 N/A SER 170.A OG GLU 166.A O no hydrogen 2.617 N/A GLY 171.A N TRP 167.A O no hydrogen 3.101 N/A LYS 172.A N SER 170.A OG no hydrogen 3.250 N/A LYS 172.A NZ GLU 166.A OE2 no hydrogen 2.764 N/A ASN 174.A N ILE 136.A O no hydrogen 2.707 N/A ASN 174.A ND2 ILE 136.A O no hydrogen 2.821 N/A ALA 179.A N ARG 175.A O no hydrogen 2.849 N/A LEU 180.A N ALA 176.A O no hydrogen 2.854 N/A LYS 181.A N GLU 177.A O no hydrogen 3.159 N/A VAL 182.A N ASP 178.A O no hydrogen 3.263 N/A SER 183.A N LEU 180.A O no hydrogen 2.936 N/A ALA 184.A N ALA 179.A O no hydrogen 2.774 N/A VAL 185.A N ALA 179.A O no hydrogen 3.142 N/A ASP 186.A N ARG 128.A O no hydrogen 2.994 N/A VAL 189.A N MET 130.A O no hydrogen 2.866 N/A LEU 194.A N ALA 191.A O no hydrogen 3.305 N/A ALA 197.A N LYS 193.A O no hydrogen 3.216 N/A ALA 198.A N LEU 194.A O no hydrogen 3.089 N/A LEU 199.A N GLY 195.A O no hydrogen 2.990 N/A ASP 200.A N ALA 196.A O no hydrogen 2.765 N/A LEU 201.A N ALA 197.A O no hydrogen 2.777 N/A ILE 202.A N ALA 198.A O no hydrogen 3.003 N/A LYS 203.A N LEU 199.A O no hydrogen 3.155 N/A LYS 203.A NZ GLU 14.A OE1 no hydrogen 2.739 N/A ARG 204.A N LEU 201.A O no hydrogen 2.910 N/A ARG 204.A NE ASP 200.A OD1 no hydrogen 2.708 N/A ALA 205.A N ILE 202.A O no hydrogen 2.779 N/A ILE 206.A N ILE 202.A O no hydrogen 2.945 N/A SER 207.A N LYS 203.A O no hydrogen 3.066 N/A SER 207.A OG LYS 203.A O no hydrogen 3.360 N/A SER 207.A OG ARG 204.A O no hydrogen 3.198 N/A GLY 208.A N ALA 205.A O no hydrogen 3.335 N/A GLU 209.A N SER 207.A OG no hydrogen 3.309 N/A LEU 210.A N ARG 204.A O no hydrogen 2.812 N/A TYR 212.A N LEU 210.A O no hydrogen 3.101 N/A LYS 213.A NZ ASN 103.A OD1 no hydrogen 2.922 N/A ALA 214.A N ASP 211.A OD1 no hydrogen 2.714 N/A LYS 215.A N ASP 211.A O no hydrogen 3.118 N/A ARG 216.A N TYR 212.A O no hydrogen 3.191 N/A ARG 216.A NE ASP 126.A OD1 no hydrogen 2.753 N/A ARG 216.A NH1 LEU 102.A O no hydrogen 3.163 N/A ARG 216.A NH2 LEU 102.A O no hydrogen 2.922 N/A ARG 216.A NH2 VAL 104.A O no hydrogen 3.212 N/A ARG 216.A NH2 ASP 126.A OD1 no hydrogen 3.400 N/A ARG 216.A NH2 ASP 126.A OD2 no hydrogen 3.057 N/A GLN 217.A N LYS 213.A O no hydrogen 3.206 N/A LYS 219.A N ARG 216.A O no hydrogen 3.185 N/A LYS 219.A NZ GLU 100.A OE1 no hydrogen 3.218 N/A LYS 219.A NZ LEU 123.A O no hydrogen 3.284 N/A LYS 219.A NZ ALA 124.A O no hydrogen 3.063 N/A LYS 219.A NZ ALA 125.A O no hydrogen 3.468 N/A LEU 220.A N GLN 217.A O no hydrogen 2.789 N/A LEU 223.A N ALA 263.A O no hydrogen 3.078 N/A LYS 224.A NZ GLU 221.A OE2 no hydrogen 3.408 N/A ILE 228.A N ASN 226.A OD1 no hydrogen 2.768 N/A GLN 230.A N ASN 226.A O no hydrogen 2.836 N/A GLN 230.A NE2 LEU 225.A O no hydrogen 2.741 N/A GLN 230.A NE2 ASN 226.A O no hydrogen 3.216 N/A MET 231.A N ALA 227.A O no hydrogen 3.225 N/A MET 232.A N ILE 228.A O no hydrogen 3.124 N/A ALA 233.A N GLU 229.A O no hydrogen 3.019 N/A PHE 234.A N GLN 230.A O no hydrogen 2.776 N/A GLU 235.A N MET 231.A O no hydrogen 3.034 N/A THR 236.A N MET 232.A O no hydrogen 3.117 N/A THR 236.A OG1 MET 232.A O no hydrogen 2.696 N/A THR 236.A OG1 ALA 233.A O no hydrogen 2.879 N/A ALA 237.A N ALA 233.A O no hydrogen 3.218 N/A LYS 238.A N PHE 234.A O no hydrogen 2.670 N/A LYS 238.A NZ GLU 235.A OE1 no hydrogen 3.437 N/A LYS 238.A NZ GLN 260.A OE1 no hydrogen 3.181 N/A GLY 239.A N GLU 235.A O no hydrogen 2.766 N/A PHE 240.A N THR 236.A O no hydrogen 2.913 N/A VAL 241.A N ALA 237.A O no hydrogen 3.108 N/A ALA 242.A N LYS 238.A O no hydrogen 2.738 N/A GLY 243.A N GLY 239.A O no hydrogen 3.163 N/A GLN 244.A NE2 GLY 532.A O no hydrogen 3.448 N/A GLY 246.A N ALA 242.A O no hydrogen 3.135 N/A ASN 248.A ND2 PRO 247.A O no hydrogen 3.625 N/A ALA 255.A N ALA 251.A O no hydrogen 2.722 N/A THR 258.A N GLU 254.A O no hydrogen 2.891 N/A THR 258.A N ALA 255.A O no hydrogen 3.244 N/A THR 258.A OG1 TYR 146.A OH no hydrogen 3.051 N/A THR 258.A OG1 GLU 254.A O no hydrogen 3.046 N/A ILE 259.A N ALA 255.A O no hydrogen 3.097 N/A GLN 260.A N ILE 256.A O no hydrogen 2.882 N/A LYS 261.A N LYS 257.A O no hydrogen 3.318 N/A ALA 262.A N THR 258.A O no hydrogen 3.224 N/A PHE 265.A N ALA 262.A O no hydrogen 3.259 N/A ARG 267.A N LEU 220.A O no hydrogen 3.218 N/A ARG 267.A NH2 ASP 101.A OD1 no hydrogen 2.559 N/A ARG 267.A NH2 ASP 101.A OD2 no hydrogen 2.775 N/A ALA 270.A N GLY 266.A O no hydrogen 2.872 N/A LEU 271.A N ARG 267.A O no hydrogen 2.749 N/A GLU 272.A N ASP 268.A O no hydrogen 3.417 N/A VAL 273.A N LYS 269.A O no hydrogen 3.394 N/A GLU 274.A N ALA 270.A O no hydrogen 2.967 N/A ALA 275.A N LEU 271.A O no hydrogen 2.864 N/A ALA 276.A N GLU 272.A O no hydrogen 2.928 N/A GLY 277.A N VAL 273.A O no hydrogen 3.023 N/A PHE 278.A N GLU 274.A O no hydrogen 2.967 N/A ALA 279.A N ALA 275.A O no hydrogen 3.054 N/A ALA 279.A N ALA 276.A O no hydrogen 3.208 N/A LYS 280.A N ALA 276.A O no hydrogen 3.329 N/A LEU 281.A N GLY 277.A O no hydrogen 3.242 N/A ALA 282.A N PHE 278.A O no hydrogen 3.215 N/A LYS 283.A N ALA 279.A O no hydrogen 3.056 N/A LYS 283.A NZ LEU 80.A O no hydrogen 3.550 N/A LYS 283.A NZ ASP 82.A OD1 no hydrogen 3.326 N/A THR 284.A OG1 LYS 280.A O no hydrogen 2.847 N/A ALA 286.A N LEU 281.A O no hydrogen 2.707 N/A SER 287.A N THR 284.A O no hydrogen 3.410 N/A ASN 288.A ND2 ASP 676.A O no hydrogen 3.445 N/A CYS 289.A SG ASN 288.A O no hydrogen 2.680 N/A PHE 294.A N LEU 290.A O no hydrogen 3.156 N/A LEU 295.A N ILE 291.A O no hydrogen 2.923 N/A ASN 296.A N GLY 292.A O no hydrogen 2.827 N/A ASP 297.A N LEU 293.A O no hydrogen 3.153 N/A GLN 298.A N PHE 294.A O no hydrogen 2.873 N/A GLU 299.A N LEU 295.A O no hydrogen 2.889 N/A LEU 300.A N ASN 296.A O no hydrogen 3.284 N/A LYS 301.A N ASP 297.A O no hydrogen 2.925 N/A LYS 301.A NZ ASP 297.A OD1 no hydrogen 3.276 N/A LYS 302.A N GLN 298.A O no hydrogen 3.312 N/A LYS 303.A N GLU 299.A O no hydrogen 2.891 N/A ALA 304.A N LEU 300.A O no hydrogen 2.627 N/A LYS 305.A N LYS 302.A O no hydrogen 3.036 N/A VAL 306.A N LYS 302.A O no hydrogen 2.688 N/A TYR 307.A N LYS 303.A O no hydrogen 2.956 N/A ASP 308.A N ALA 304.A O no hydrogen 3.156 N/A LYS 309.A N LYS 305.A O no hydrogen 3.393 N/A ILE 310.A N TYR 307.A O no hydrogen 3.522 N/A ALA 311.A N TYR 307.A O no hydrogen 3.232 N/A LYS 312.A N THR 477.A OG1 no hydrogen 3.081 N/A LYS 312.A NZ ASP 422.A O no hydrogen 3.526 N/A LYS 312.A NZ ASP 422.A OD2 no hydrogen 2.743 N/A LYS 315.A N ASP 395.A OD2 no hydrogen 2.974 N/A GLN 316.A N ASP 395.A OD2 no hydrogen 3.225 N/A GLN 316.A NE2 ALA 317.A O no hydrogen 2.857 N/A ALA 317.A N PRO 339.A O no hydrogen 3.009 N/A ALA 318.A N LEU 396.A O no hydrogen 3.343 N/A VAL 319.A N LEU 341.A O no hydrogen 2.799 N/A LEU 320.A N VAL 398.A O no hydrogen 2.663 N/A GLY 321.A N LYS 343.A O no hydrogen 2.654 N/A ALA 322.A N ASP 344.A OD2 no hydrogen 3.071 N/A ILE 329.A N MET 325.A O no hydrogen 3.075 N/A ALA 330.A N GLY 326.A O no hydrogen 2.985 N/A TYR 331.A N GLY 327.A O no hydrogen 3.024 N/A GLN 332.A N GLY 328.A O no hydrogen 2.805 N/A SER 333.A N ILE 329.A O no hydrogen 3.191 N/A SER 333.A OG THR 338.A O no hydrogen 2.785 N/A SER 333.A OG TYR 481.A OH no hydrogen 2.830 N/A ALA 334.A N ALA 330.A O no hydrogen 2.934 N/A SER 335.A N TYR 331.A O no hydrogen 2.747 N/A SER 335.A OG TYR 331.A O no hydrogen 3.080 N/A GLY 337.A N ALA 334.A O no hydrogen 3.437 N/A ILE 340.A N GLY 381.A O no hydrogen 2.971 N/A LEU 341.A N ALA 317.A O no hydrogen 3.083 N/A MET 342.A N ARG 383.A O no hydrogen 3.039 N/A LYS 343.A N VAL 319.A O no hydrogen 3.023 N/A LYS 343.A NZ ASP 344.A O no hydrogen 3.361 N/A LYS 343.A NZ LEU 386.A O no hydrogen 3.523 N/A LYS 343.A NZ TYR 388.A OH no hydrogen 3.566 N/A ASP 344.A N THR 385.A O no hydrogen 3.202 N/A ILE 345.A N ASP 344.A OD1 no hydrogen 2.522 N/A ASN 346.A N ASP 344.A OD1 no hydrogen 3.194 N/A GLY 349.A N ASN 346.A O no hydrogen 3.002 N/A GLY 349.A N ASN 346.A OD1 no hydrogen 2.628 N/A GLU 351.A N GLU 347.A O no hydrogen 3.260 N/A GLN 352.A N HIS 348.A O no hydrogen 3.424 N/A GLY 353.A N GLY 349.A O no hydrogen 3.073 N/A LEU 354.A N ILE 350.A O no hydrogen 2.883 N/A ALA 355.A N GLU 351.A O no hydrogen 2.898 N/A GLU 356.A N GLN 352.A O no hydrogen 3.049 N/A ALA 357.A N GLY 353.A O no hydrogen 2.968 N/A ALA 358.A N LEU 354.A O no hydrogen 2.974 N/A LYS 359.A N ALA 355.A O no hydrogen 2.779 N/A LYS 359.A NZ GLU 356.A OE2 no hydrogen 3.112 N/A LEU 360.A N GLU 356.A O no hydrogen 3.172 N/A LEU 361.A N ALA 357.A O no hydrogen 3.282 N/A VAL 362.A N ALA 358.A O no hydrogen 2.906 N/A GLY 363.A N LYS 359.A O no hydrogen 3.062 N/A ARG 364.A N LEU 360.A O no hydrogen 3.400 N/A ARG 364.A N LEU 361.A O no hydrogen 3.281 N/A VAL 365.A N LEU 361.A O no hydrogen 3.276 N/A ASP 366.A N VAL 362.A O no hydrogen 2.742 N/A GLY 368.A N ARG 364.A O no hydrogen 3.119 N/A ARG 369.A N ARG 364.A O no hydrogen 2.897 N/A MET 370.A N ARG 364.A O no hydrogen 3.408 N/A LYS 374.A N THR 371.A O no hydrogen 2.707 N/A MET 375.A N THR 371.A O no hydrogen 2.911 N/A ALA 376.A N PRO 372.A O no hydrogen 3.346 N/A GLU 377.A N ALA 373.A O no hydrogen 3.461 N/A VAL 378.A N LYS 374.A O no hydrogen 3.112 N/A LEU 379.A N MET 375.A O no hydrogen 3.110 N/A ASN 380.A N ALA 376.A O no hydrogen 2.973 N/A GLY 381.A N GLU 377.A O no hydrogen 2.878 N/A GLY 381.A N VAL 378.A O no hydrogen 3.066 N/A ARG 383.A N ILE 340.A O no hydrogen 2.834 N/A ARG 383.A NE ASN 380.A O no hydrogen 3.574 N/A THR 385.A N MET 342.A O no hydrogen 3.139 N/A THR 385.A OG1 SER 387.A O no hydrogen 3.046 N/A SER 387.A N THR 385.A OG1 no hydrogen 3.100 N/A TYR 388.A OH GLU 414.A OE1 no hydrogen 2.999 N/A PHE 391.A N TYR 388.A O no hydrogen 3.188 N/A ASP 395.A N GLN 316.A O no hydrogen 2.776 N/A VAL 397.A N ILE 424.A O no hydrogen 2.825 N/A VAL 398.A N ALA 318.A O no hydrogen 2.890 N/A GLU 399.A N ALA 426.A O no hydrogen 2.728 N/A ALA 400.A N LEU 320.A O no hydrogen 2.803 N/A VAL 407.A N ASN 404.A OD1 no hydrogen 3.211 N/A LYS 408.A N ASN 404.A O no hydrogen 2.816 N/A LYS 408.A NZ GLU 399.A OE1 no hydrogen 3.311 N/A LYS 408.A NZ GLU 399.A OE2 no hydrogen 2.567 N/A LYS 408.A NZ VAL 401.A O no hydrogen 2.831 N/A GLN 409.A N PRO 405.A O no hydrogen 3.127 N/A ALA 410.A N LYS 406.A O no hydrogen 3.036 N/A VAL 411.A N VAL 407.A O no hydrogen 2.933 N/A LEU 412.A N LYS 408.A O no hydrogen 2.872 N/A ALA 413.A N GLN 409.A O no hydrogen 2.960 N/A GLU 414.A N ALA 410.A O no hydrogen 2.947 N/A VAL 415.A N VAL 411.A O no hydrogen 3.026 N/A GLU 416.A N LEU 412.A O no hydrogen 3.209 N/A ASN 417.A N GLU 414.A O no hydrogen 3.097 N/A HIS 418.A N VAL 415.A O no hydrogen 2.934 N/A ARG 420.A NE ASP 422.A OD1 no hydrogen 3.472 N/A ARG 420.A NE ASP 422.A OD2 no hydrogen 3.157 N/A ARG 420.A NH1 ASN 393.A O no hydrogen 3.261 N/A ARG 420.A NH1 ASP 395.A OD1 no hydrogen 2.809 N/A ARG 420.A NH2 ASP 395.A OD1 no hydrogen 2.652 N/A ARG 420.A NH2 ASP 422.A OD2 no hydrogen 3.062 N/A ALA 423.A N ARG 420.A O no hydrogen 3.375 N/A ILE 424.A N ASP 395.A O no hydrogen 2.865 N/A LEU 425.A N ASN 446.A O no hydrogen 2.924 N/A ALA 426.A N VAL 397.A O no hydrogen 2.768 N/A SER 427.A N VAL 448.A O no hydrogen 3.479 N/A SER 427.A OG GLU 399.A OE1 no hydrogen 2.678 N/A ASN 428.A N GLU 399.A O no hydrogen 2.986 N/A THR 429.A N SER 427.A OG no hydrogen 3.223 N/A THR 429.A OG1 GLU 403.A OE1 no hydrogen 3.245 N/A THR 429.A OG1 GLU 403.A OE2 no hydrogen 2.718 N/A THR 431.A OG1 GLU 403.A OE1 no hydrogen 2.615 N/A SER 433.A OG ASP 494.A OD2 no hydrogen 2.625 N/A ILE 434.A N ASP 494.A OD1 no hydrogen 2.839 N/A SER 435.A OG ASP 494.A OD2 no hydrogen 3.254 N/A LEU 436.A N SER 433.A O no hydrogen 3.072 N/A LEU 437.A N SER 433.A O no hydrogen 3.159 N/A ALA 438.A N ILE 434.A O no hydrogen 2.959 N/A LYS 439.A N LEU 436.A O no hydrogen 3.236 N/A ALA 440.A N LEU 437.A O no hydrogen 3.137 N/A LYS 442.A N GLU 416.A OE1 no hydrogen 2.598 N/A LYS 442.A NZ ASN 417.A OD1 no hydrogen 3.326 N/A ARG 443.A NE GLU 421.A O no hydrogen 2.865 N/A ARG 443.A NH2 GLU 416.A O no hydrogen 3.201 N/A ASN 446.A N ARG 443.A O no hydrogen 3.164 N/A PHE 447.A N PRO 444.A O no hydrogen 2.936 N/A VAL 448.A N LEU 425.A O no hydrogen 3.108 N/A MET 450.A N SER 427.A O no hydrogen 2.888 N/A HIS 451.A N GLU 463.A O no hydrogen 2.711 N/A PHE 452.A N ASN 428.A OD1 no hydrogen 2.772 N/A MET 458.A N PRO 455.A O no hydrogen 2.995 N/A MET 459.A N PRO 455.A O no hydrogen 3.138 N/A GLU 463.A N HIS 451.A O no hydrogen 2.956 N/A VAL 464.A N ILE 490.A O no hydrogen 2.977 N/A ARG 466.A N VAL 492.A O no hydrogen 2.763 N/A ARG 466.A NE ASN 493.A OD1 no hydrogen 3.193 N/A ARG 466.A NH2 ASN 493.A OD1 no hydrogen 3.394 N/A ARG 466.A NH2 GLU 649.A OE2 no hydrogen 2.699 N/A GLY 467.A N SER 470.A OG no hydrogen 2.813 N/A GLU 468.A N SER 435.A OG no hydrogen 3.275 N/A LYS 469.A NZ GLU 468.A OE2 no hydrogen 2.915 N/A SER 470.A OG PHE 447.A O no hydrogen 2.681 N/A SER 471.A N GLU 445.A O no hydrogen 2.960 N/A SER 471.A OG GLU 445.A O no hydrogen 2.742 N/A ALA 474.A N SER 471.A OG no hydrogen 3.305 N/A VAL 475.A N SER 471.A O no hydrogen 3.264 N/A ALA 476.A N ASP 472.A O no hydrogen 2.727 N/A THR 477.A N LEU 473.A O no hydrogen 2.996 N/A THR 477.A OG1 LEU 473.A O no hydrogen 2.879 N/A THR 478.A N ALA 474.A O no hydrogen 3.206 N/A THR 478.A OG1 ALA 474.A O no hydrogen 2.888 N/A VAL 479.A N VAL 475.A O no hydrogen 2.828 N/A ALA 480.A N ALA 476.A O no hydrogen 2.997 N/A TYR 481.A N THR 477.A O no hydrogen 2.848 N/A TYR 481.A OH SER 333.A OG no hydrogen 2.830 N/A ALA 482.A N THR 478.A O no hydrogen 2.940 N/A ALA 482.A N VAL 479.A O no hydrogen 3.120 N/A LYS 483.A N VAL 479.A O no hydrogen 3.054 N/A LYS 484.A N ALA 480.A O no hydrogen 2.905 N/A LYS 484.A NZ VAL 314.A O no hydrogen 2.775 N/A MET 485.A N TYR 481.A O no hydrogen 3.369 N/A MET 485.A N ALA 482.A O no hydrogen 3.030 N/A GLY 486.A N LYS 483.A O no hydrogen 2.928 N/A LYS 487.A N ALA 482.A O no hydrogen 3.094 N/A LYS 487.A NZ GLN 332.A OE1 no hydrogen 3.453 N/A LYS 487.A NZ VAL 456.A O no hydrogen 2.686 N/A LYS 487.A NZ MET 459.A O no hydrogen 2.798 N/A ASN 488.A N PRO 460.A O no hydrogen 3.315 N/A ILE 490.A N VAL 462.A O no hydrogen 3.449 N/A VAL 492.A N VAL 464.A O no hydrogen 3.089 N/A ASN 493.A N ILE 647.A O no hydrogen 2.625 N/A ASN 493.A ND2 GLY 646.A O no hydrogen 2.647 N/A ASP 494.A N ARG 466.A O no hydrogen 3.047 N/A CYS 495.A SG PRO 496.A O no hydrogen 3.979 N/A CYS 495.A SG PHE 498.A O no hydrogen 2.925 N/A PHE 498.A N CYS 495.A O no hydrogen 2.582 N/A LEU 499.A N GLU 463.A OE1 no hydrogen 3.313 N/A ARG 502.A N GLY 497.A O no hydrogen 2.900 N/A ARG 502.A NH2 ASP 645.A OD2 no hydrogen 2.916 N/A VAL 503.A N LEU 499.A O no hydrogen 3.120 N/A VAL 503.A N VAL 500.A O no hydrogen 2.854 N/A LEU 504.A N VAL 500.A O no hydrogen 2.773 N/A PHE 505.A N ASN 501.A O no hydrogen 3.299 N/A PHE 508.A N LEU 504.A O no hydrogen 3.318 N/A GLY 509.A N PHE 505.A O no hydrogen 2.668 N/A GLY 510.A N PRO 506.A O no hydrogen 3.191 N/A GLY 510.A N TYR 507.A O no hydrogen 3.198 N/A ALA 512.A N PHE 508.A O no hydrogen 2.810 N/A LYS 513.A N GLY 509.A O no hydrogen 3.115 N/A LYS 513.A NZ LEU 693.A O no hydrogen 3.071 N/A LEU 514.A N GLY 510.A O no hydrogen 3.176 N/A VAL 515.A N PHE 511.A O no hydrogen 3.042 N/A SER 516.A N ALA 512.A O no hydrogen 3.140 N/A SER 516.A OG ALA 512.A O no hydrogen 2.939 N/A ALA 517.A N LEU 514.A O no hydrogen 2.799 N/A GLY 518.A N VAL 515.A O no hydrogen 3.225 N/A VAL 519.A N LEU 514.A O no hydrogen 3.047 N/A ARG 523.A NH1 VAL 622.A O no hydrogen 3.537 N/A ARG 523.A NH1 ASP 624.A OD1 no hydrogen 2.950 N/A ARG 523.A NH2 VAL 622.A O no hydrogen 3.392 N/A ILE 524.A N ASP 520.A O no hydrogen 3.030 N/A ASP 525.A N PHE 521.A O no hydrogen 3.002 N/A LYS 526.A N VAL 522.A O no hydrogen 3.312 N/A VAL 527.A N ARG 523.A O no hydrogen 3.179 N/A VAL 527.A N ILE 524.A O no hydrogen 3.019 N/A MET 528.A N ILE 524.A O no hydrogen 2.950 N/A GLU 529.A N ASP 525.A O no hydrogen 2.718 N/A LYS 530.A N LYS 526.A O no hydrogen 3.154 N/A LYS 530.A N VAL 527.A O no hydrogen 3.190 N/A PHE 531.A N MET 528.A O no hydrogen 3.263 N/A GLY 532.A N MET 528.A O no hydrogen 3.255 N/A TRP 533.A N MET 528.A O no hydrogen 3.133 N/A LEU 540.A N GLY 536.A O no hydrogen 2.668 N/A MET 541.A N PRO 537.A O no hydrogen 2.923 N/A ASP 542.A N ALA 538.A O no hydrogen 3.118 N/A VAL 543.A N TYR 539.A O no hydrogen 3.091 N/A VAL 544.A N LEU 540.A O no hydrogen 2.858 N/A GLY 545.A N MET 541.A O no hydrogen 2.779 N/A ILE 546.A N LEU 581.A O no hydrogen 3.347 N/A THR 548.A OG1 VAL 544.A O no hydrogen 3.071 N/A THR 548.A OG1 ASP 547.A OD1 no hydrogen 2.932 N/A GLY 549.A N GLY 545.A O no hydrogen 2.817 N/A HIS 550.A N ILE 546.A O no hydrogen 2.915 N/A HIS 551.A N ASP 547.A O no hydrogen 3.299 N/A GLY 552.A N THR 548.A O no hydrogen 2.901 N/A ARG 553.A N GLY 549.A O no hydrogen 3.038 N/A ARG 553.A NH1 ASP 573.A OD1 no hydrogen 2.859 N/A ARG 553.A NH1 ASP 573.A OD2 no hydrogen 2.719 N/A ARG 553.A NH2 ASP 573.A OD1 no hydrogen 2.730 N/A VAL 555.A N HIS 551.A O no hydrogen 3.188 N/A MET 556.A N GLY 552.A O no hydrogen 3.010 N/A ALA 557.A N ARG 553.A O no hydrogen 2.858 N/A GLU 558.A N ASP 554.A O no hydrogen 3.058 N/A PHE 560.A N MET 556.A O no hydrogen 3.022 N/A ARG 563.A N PHE 560.A O no hydrogen 3.222 N/A MET 564.A N PHE 560.A O no hydrogen 2.869 N/A ARG 569.A NE GLU 577.A OE1 no hydrogen 3.387 N/A ARG 569.A NE GLU 577.A OE2 no hydrogen 2.892 N/A ARG 569.A NH2 GLU 577.A OE2 no hydrogen 2.673 N/A SER 570.A N ASP 573.A OD2 no hydrogen 3.479 N/A ALA 574.A N SER 570.A O no hydrogen 2.813 N/A LEU 575.A N ALA 571.A O no hydrogen 3.051 N/A TYR 576.A N ILE 572.A O no hydrogen 3.229 N/A GLU 577.A N ASP 573.A O no hydrogen 2.750 N/A ALA 578.A N LEU 575.A O no hydrogen 3.153 N/A LYS 579.A N TYR 576.A O no hydrogen 3.341 N/A ARG 580.A N LEU 575.A O no hydrogen 2.827 N/A ARG 580.A NH2 ASP 605.A OD2 no hydrogen 2.828 N/A ARG 580.A NH2 SER 607.A OG no hydrogen 3.110 N/A GLY 582.A N LYS 587.A O no hydrogen 2.761 N/A GLN 583.A N ASP 542.A O no hydrogen 3.031 N/A GLY 586.A N GLY 582.A O no hydrogen 2.880 N/A GLY 588.A N TYR 590.A O no hydrogen 2.768 N/A PHE 589.A N ASP 542.A OD1 no hydrogen 2.763 N/A TYR 590.A OH ASP 525.A OD2 no hydrogen 2.799 N/A ALA 591.A N LEU 603.A O no hydrogen 2.978 N/A TYR 592.A N GLY 586.A O no hydrogen 3.007 N/A ASP 595.A N LYS 599.A O no hydrogen 3.015 N/A LYS 596.A N LYS 599.A O no hydrogen 3.435 N/A LYS 599.A N LYS 596.A O no hydrogen 3.436 N/A LYS 601.A N GLU 593.A O no hydrogen 3.162 N/A LEU 603.A N ALA 591.A O no hydrogen 2.734 N/A SER 607.A OG ASP 605.A OD2 no hydrogen 2.433 N/A VAL 608.A N ASP 605.A O no hydrogen 3.141 N/A LEU 609.A N SER 606.A O no hydrogen 3.227 N/A LEU 612.A N VAL 608.A O no hydrogen 3.173 N/A LYS 613.A N LEU 609.A O no hydrogen 2.976 N/A LYS 613.A N GLU 610.A O no hydrogen 3.402 N/A ILE 615.A N LEU 612.A O no hydrogen 2.883 N/A VAL 616.A N LYS 613.A O no hydrogen 3.061 N/A TYR 617.A N SER 516.A O no hydrogen 2.869 N/A TYR 617.A OH ARG 569.A O no hydrogen 2.829 N/A ARG 620.A NH1 GLU 618.A OE2 no hydrogen 3.388 N/A ARG 620.A NH1 GLU 692.A OE2 no hydrogen 2.958 N/A ARG 620.A NH2 GLU 692.A OE2 no hydrogen 2.708 N/A THR 623.A OG1 ASP 626.A OD2 no hydrogen 2.712 N/A ASP 626.A N THR 623.A OG1 no hydrogen 3.094 N/A ILE 627.A N THR 623.A O no hydrogen 3.049 N/A ASN 629.A N ASP 626.A O no hydrogen 2.698 N/A TRP 630.A N ASP 626.A O no hydrogen 2.970 N/A MET 632.A N ILE 628.A O no hydrogen 2.795 N/A ILE 633.A N ASN 629.A O no hydrogen 3.071 N/A LEU 635.A N MET 631.A O no hydrogen 3.426 N/A CYS 636.A N MET 632.A O no hydrogen 2.732 N/A CYS 636.A SG MET 632.A O no hydrogen 3.029 N/A CYS 636.A SG ALA 671.A O no hydrogen 3.672 N/A LEU 637.A N ILE 633.A O no hydrogen 2.961 N/A GLU 638.A N PRO 634.A O no hydrogen 3.338 N/A THR 639.A N LEU 635.A O no hydrogen 3.252 N/A THR 639.A OG1 LEU 635.A O no hydrogen 2.902 N/A VAL 640.A N CYS 636.A O no hydrogen 3.024 N/A ARG 641.A N LEU 637.A O no hydrogen 2.945 N/A CYS 642.A N GLU 638.A O no hydrogen 2.866 N/A CYS 642.A SG GLU 638.A O no hydrogen 3.157 N/A LEU 643.A N THR 639.A O no hydrogen 2.975 N/A GLU 644.A N VAL 640.A O no hydrogen 2.908 N/A ASP 645.A N ARG 641.A O no hydrogen 2.773 N/A ILE 647.A N CYS 642.A O no hydrogen 2.779 N/A VAL 648.A N CYS 642.A O no hydrogen 3.245 N/A THR 650.A N GLU 653.A OE1 no hydrogen 3.317 N/A THR 650.A OG1 GLU 653.A OE1 no hydrogen 3.253 N/A ALA 652.A N ASN 296.A OD1 no hydrogen 3.172 N/A GLU 653.A N THR 650.A OG1 no hydrogen 3.356 N/A ALA 654.A N THR 650.A O no hydrogen 3.086 N/A ASP 655.A N ALA 652.A O no hydrogen 3.336 N/A MET 656.A N ALA 652.A O no hydrogen 3.293 N/A GLY 657.A N GLU 653.A O no hydrogen 3.415 N/A LEU 658.A N ASP 655.A O no hydrogen 2.872 N/A VAL 659.A N ASP 655.A O no hydrogen 2.935 N/A TYR 660.A N MET 656.A O no hydrogen 2.867 N/A GLY 661.A N GLY 657.A O no hydrogen 3.228 N/A GLY 663.A N LEU 658.A O no hydrogen 2.922 N/A PHE 664.A N LEU 658.A O no hydrogen 2.754 N/A ARG 668.A N PRO 665.A O no hydrogen 3.144 N/A ARG 668.A NH2 PHE 531.A O no hydrogen 2.849 N/A GLY 669.A N LEU 666.A O no hydrogen 2.888 N/A GLY 670.A N ARG 668.A O no hydrogen 2.995 N/A LEU 672.A N ASP 655.A OD2 no hydrogen 2.875 N/A ARG 673.A N ASP 655.A OD2 no hydrogen 3.252 N/A ARG 673.A NH2 VAL 141.A O no hydrogen 3.064 N/A TYR 674.A N GLY 670.A O no hydrogen 2.840 N/A ILE 675.A N ALA 671.A O no hydrogen 3.356 N/A ASP 676.A N LEU 672.A O no hydrogen 3.190 N/A SER 677.A N ARG 673.A O no hydrogen 2.742 N/A SER 677.A OG ARG 673.A O no hydrogen 2.753 N/A ILE 678.A N ILE 675.A O no hydrogen 3.015 N/A GLY 679.A N ILE 675.A O no hydrogen 2.803 N/A PHE 683.A N VAL 680.A O no hydrogen 3.205 N/A VAL 684.A N VAL 680.A O no hydrogen 3.167 N/A ALA 687.A N PHE 683.A O no hydrogen 2.925 N/A ASP 688.A N VAL 684.A O no hydrogen 3.057 N/A TYR 690.A N ALA 687.A O no hydrogen 3.053 N/A TYR 690.A OH ASP 626.A OD1 no hydrogen 2.668 N/A ALA 691.A N ASP 688.A O no hydrogen 3.131 N/A LEU 693.A N TYR 690.A O no hydrogen 3.141 N/A GLY 694.A N ALA 691.A O no hydrogen 3.300 N/A TYR 697.A N GLY 694.A O no hydrogen 3.190 N/A TYR 697.A OH TRP 630.A O no hydrogen 2.959 N/A HIS 698.A N ALA 695.A O no hydrogen 3.409 N/A THR 700.A OG1 GLU 644.A OE2 no hydrogen 2.769 N/A LEU 703.A N THR 700.A O no hydrogen 3.151 N/A LEU 703.A N THR 700.A OG1 no hydrogen 3.248 N/A ARG 704.A N THR 700.A O no hydrogen 3.008 N/A ARG 704.A NH2 ASP 688.A OD2 no hydrogen 2.907 N/A GLU 705.A N ALA 701.A O no hydrogen 2.830 N/A MET 706.A N LYS 702.A O no hydrogen 3.121 N/A ALA 707.A N ARG 704.A O no hydrogen 3.077 N/A LYS 708.A N ARG 704.A O no hydrogen 3.387 N/A ASN 709.A ND2 GLN 711.A OE1 no hydrogen 3.122 N/A GLY 710.A N ALA 707.A O no hydrogen 3.255 N/A GLN 711.A N MET 706.A O no hydrogen 3.005 N/A