Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6wrw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N ASP 6.A OD1 no hydrogen 3.288 N/A ASP 6.A N TYR 3.A O no hydrogen 3.157 N/A LEU 7.A N TYR 3.A O no hydrogen 3.029 N/A LYS 8.A N TRP 4.A O no hydrogen 2.934 N/A ARG 9.A NH2 ASP 6.A OD2 no hydrogen 3.251 N/A LYS 10.A N ASP 6.A O no hydrogen 2.929 N/A LYS 10.A NZ ASP 320.A OD2 no hydrogen 3.179 N/A LEU 11.A N LEU 7.A O no hydrogen 2.899 N/A SER 12.A N LYS 8.A O no hydrogen 2.925 N/A GLU 13.A N ARG 9.A O no hydrogen 2.883 N/A LYS 14.A N LYS 10.A O no hydrogen 2.954 N/A LEU 15.A N LEU 11.A O no hydrogen 2.880 N/A ASP 16.A N SER 12.A O no hydrogen 2.929 N/A SER 17.A OG GLU 13.A O no hydrogen 3.375 N/A SER 17.A OG LYS 14.A O no hydrogen 3.031 N/A THR 18.A N LEU 15.A O no hydrogen 3.286 N/A THR 18.A OG1 LYS 14.A O no hydrogen 2.608 N/A PHE 20.A N ASN 464.A OD1 no hydrogen 2.967 N/A THR 21.A OG1 ASP 19.A OD2 no hydrogen 2.708 N/A SER 22.A N ASP 19.A OD2 no hydrogen 3.320 N/A ILE 24.A N PHE 20.A O no hydrogen 2.932 N/A LYS 25.A N THR 21.A O no hydrogen 2.920 N/A LEU 26.A N SER 22.A O no hydrogen 2.895 N/A LEU 27.A N THR 23.A O no hydrogen 2.901 N/A GLU 29.A N LEU 26.A O no hydrogen 3.230 N/A ARG 35.A NE TYR 32.A O no hydrogen 3.187 N/A ARG 35.A NH1 ARG 289.A O no hydrogen 2.681 N/A ARG 35.A NH1 SER 299.A OG no hydrogen 2.440 N/A ARG 35.A NH2 LEU 27.A O no hydrogen 3.374 N/A SER 39.A N GLU 36.A O no hydrogen 3.046 N/A SER 39.A OG GLU 36.A O no hydrogen 2.665 N/A GLN 40.A NE2 GLN 40.A O no hydrogen 3.060 N/A LYS 41.A NZ ASN 30.A O no hydrogen 3.290 N/A LYS 41.A NZ VAL 33.A O no hydrogen 2.483 N/A ASP 42.A N SER 39.A OG no hydrogen 3.269 N/A GLU 43.A N SER 39.A O no hydrogen 3.211 N/A ASN 44.A N GLN 40.A O no hydrogen 2.899 N/A LEU 45.A N LYS 41.A O no hydrogen 2.898 N/A ALA 46.A N ASP 42.A O no hydrogen 2.895 N/A LEU 47.A N GLU 43.A O no hydrogen 2.911 N/A TYR 48.A N ASN 44.A O no hydrogen 2.900 N/A VAL 49.A N LEU 45.A O no hydrogen 2.885 N/A GLU 50.A N ALA 46.A O no hydrogen 2.906 N/A ASN 51.A N LEU 47.A O no hydrogen 2.902 N/A GLN 52.A N TYR 48.A O no hydrogen 2.883 N/A PHE 53.A N VAL 49.A O no hydrogen 2.887 N/A ARG 54.A N GLU 50.A O no hydrogen 2.929 N/A GLU 55.A N ASN 51.A O no hydrogen 2.895 N/A PHE 56.A N GLN 52.A O no hydrogen 3.018 N/A LYS 57.A N ARG 54.A O no hydrogen 3.171 N/A LYS 60.A N VAL 272.A O no hydrogen 2.988 N/A TRP 62.A N PHE 270.A O no hydrogen 2.899 N/A ARG 63.A NH2 GLU 50.A OE1 no hydrogen 3.244 N/A ASP 64.A N ASN 268.A O no hydrogen 2.899 N/A HIS 66.A N ILE 266.A O no hydrogen 2.929 N/A PHE 67.A N SER 195.A O no hydrogen 3.336 N/A VAL 68.A N ILE 264.A O no hydrogen 2.935 N/A ILE 70.A N LYS 262.A O no hydrogen 2.911 N/A GLN 71.A NE2 SER 103.A O no hydrogen 2.639 N/A VAL 72.A N VAL 260.A O no hydrogen 2.911 N/A LYS 73.A NZ GLY 97.A O no hydrogen 2.676 N/A SER 75.A N ASP 74.A OD1 no hydrogen 2.653 N/A GLN 77.A NE2 PRO 96.A O no hydrogen 3.526 N/A ASN 78.A ND2 GLN 215.A OE1 no hydrogen 2.885 N/A ASN 78.A ND2 ASN 259.A OD1 no hydrogen 2.956 N/A SER 79.A N THR 256.A O no hydrogen 2.928 N/A VAL 80.A N GLU 94.A O no hydrogen 2.894 N/A ILE 81.A N LYS 254.A O no hydrogen 2.940 N/A ILE 82.A N TYR 91.A O no hydrogen 2.594 N/A VAL 83.A N ASN 252.A O no hydrogen 2.885 N/A ASP 84.A N LEU 89.A O no hydrogen 2.550 N/A LYS 85.A N ASP 84.A OD1 no hydrogen 2.468 N/A ARG 88.A N LYS 85.A O no hydrogen 3.218 N/A LEU 89.A N ASP 84.A O no hydrogen 2.794 N/A TYR 91.A N ILE 82.A O no hydrogen 2.540 N/A VAL 93.A N VAL 80.A O no hydrogen 2.756 N/A GLU 94.A N VAL 80.A O no hydrogen 2.998 N/A TYR 99.A OH GLN 71.A O no hydrogen 2.721 N/A ALA 101.A N GLY 179.A O no hydrogen 2.784 N/A TYR 102.A OH LYS 69.A O no hydrogen 3.056 N/A SER 103.A OG VAL 214.A O no hydrogen 3.191 N/A THR 107.A OG1 LEU 255.A O no hydrogen 3.492 N/A THR 107.A OG1 THR 256.A OG1 no hydrogen 3.049 N/A VAL 108.A N LEU 255.A O no hydrogen 2.917 N/A GLY 110.A N VAL 253.A O no hydrogen 2.942 N/A LYS 111.A NZ THR 247.A O no hydrogen 3.400 N/A LYS 111.A NZ SER 248.A O no hydrogen 2.765 N/A VAL 113.A N ILE 134.A O no hydrogen 2.873 N/A HIS 114.A N MET 245.A O no hydrogen 3.279 N/A HIS 114.A NE2 TYR 162.A OH no hydrogen 3.153 N/A ALA 115.A N ILE 136.A O no hydrogen 3.284 N/A ASN 116.A N HIS 114.A ND1 no hydrogen 2.986 N/A ASN 116.A ND2 ASP 122.A OD2 no hydrogen 2.828 N/A GLY 118.A N ALA 115.A O no hydrogen 2.971 N/A THR 119.A N ASP 122.A OD1 no hydrogen 3.249 N/A THR 119.A OG1 ASP 122.A OD1 no hydrogen 2.294 N/A LYS 120.A NZ ASN 150.A OD1 no hydrogen 3.497 N/A ASP 122.A N THR 119.A OG1 no hydrogen 3.140 N/A PHE 123.A N THR 119.A O no hydrogen 3.080 N/A GLU 124.A N LYS 120.A O no hydrogen 2.905 N/A ASP 125.A N LYS 121.A O no hydrogen 2.991 N/A GLY 132.A N ASN 155.A O no hydrogen 2.564 N/A SER 133.A N VAL 130.A O no hydrogen 3.222 N/A SER 133.A OG VAL 130.A O no hydrogen 3.095 N/A ILE 134.A N LYS 111.A O no hydrogen 2.685 N/A VAL 135.A N GLY 158.A O no hydrogen 2.784 N/A ILE 136.A N VAL 113.A O no hydrogen 3.007 N/A VAL 137.A N LEU 160.A O no hydrogen 2.641 N/A ARG 138.A N ASN 116.A O no hydrogen 3.089 N/A ARG 138.A NE ASN 116.A OD1 no hydrogen 2.816 N/A ARG 138.A NH1 ASP 164.A OD2 no hydrogen 3.198 N/A ARG 138.A NH1 TRP 237.A O no hydrogen 3.084 N/A ARG 138.A NH1 LYS 238.A O no hydrogen 3.308 N/A ARG 138.A NH2 ASN 116.A OD1 no hydrogen 2.598 N/A ARG 138.A NH2 TRP 237.A O no hydrogen 2.363 N/A ALA 139.A N TYR 162.A O no hydrogen 2.890 N/A ILE 142.A N GLY 140.A O no hydrogen 2.652 N/A THR 143.A N GLU 146.A OE1 no hydrogen 3.196 N/A THR 143.A OG1 GLU 146.A OE1 no hydrogen 2.902 N/A GLU 146.A N THR 143.A OG1 no hydrogen 3.347 N/A LYS 147.A N THR 143.A O no hydrogen 3.111 N/A LYS 147.A NZ PHE 117.A O no hydrogen 2.576 N/A LYS 147.A NZ ARG 138.A O no hydrogen 3.222 N/A LYS 147.A NZ GLY 140.A O no hydrogen 2.811 N/A VAL 148.A N PHE 144.A O no hydrogen 2.915 N/A ALA 149.A N ALA 145.A O no hydrogen 2.874 N/A ASN 150.A N GLU 146.A O no hydrogen 2.900 N/A ASN 150.A ND2 GLY 118.A O no hydrogen 3.022 N/A ALA 151.A N LYS 147.A O no hydrogen 2.928 N/A GLU 152.A N VAL 148.A O no hydrogen 2.873 N/A SER 153.A N ALA 149.A O no hydrogen 2.907 N/A SER 153.A OG ALA 149.A O no hydrogen 3.297 N/A SER 153.A OG ASN 150.A O no hydrogen 2.706 N/A LEU 154.A N ALA 151.A O no hydrogen 3.161 N/A ASN 155.A N GLU 152.A O no hydrogen 3.173 N/A ALA 156.A N ALA 151.A O no hydrogen 3.090 N/A ILE 157.A N SER 133.A O no hydrogen 3.120 N/A VAL 159.A N PRO 213.A O no hydrogen 3.088 N/A LEU 160.A N VAL 135.A O no hydrogen 2.791 N/A ILE 161.A N GLN 215.A O no hydrogen 3.021 N/A TYR 162.A N VAL 137.A O no hydrogen 3.057 N/A TYR 162.A OH HIS 114.A NE2 no hydrogen 3.153 N/A GLN 165.A N ASP 240.A OD2 no hydrogen 2.939 N/A THR 166.A N ASP 240.A OD1 no hydrogen 2.878 N/A THR 166.A OG1 ASP 240.A OD1 no hydrogen 2.637 N/A LYS 167.A N ASP 164.A OD2 no hydrogen 3.364 N/A PHE 168.A N ASP 164.A O no hydrogen 2.755 N/A ILE 170.A N PHE 168.A O no hydrogen 2.768 N/A GLU 174.A N ASN 172.A OD1 no hydrogen 3.270 N/A PHE 178.A N GLY 447.A O no hydrogen 2.990 N/A GLY 179.A N TYR 99.A O no hydrogen 3.449 N/A ALA 181.A N ALA 101.A O no hydrogen 3.053 N/A HIS 182.A NE2 SER 206.A OG no hydrogen 3.018 N/A LEU 183.A N GLY 208.A O no hydrogen 2.879 N/A THR 185.A OG1 THR 344.A OG1 no hydrogen 3.253 N/A ASP 187.A N GLU 345.A OE2 no hydrogen 2.939 N/A TYR 189.A N ASP 187.A OD1 no hydrogen 3.360 N/A THR 190.A N ASP 187.A O no hydrogen 3.023 N/A THR 190.A OG1 PHE 193.A O no hydrogen 3.385 N/A THR 190.A OG1 SER 195.A OG no hydrogen 2.514 N/A THR 190.A OG1 GLU 345.A OE1 no hydrogen 3.224 N/A THR 190.A OG1 GLU 345.A OE2 no hydrogen 3.159 N/A GLY 192.A N GLU 348.A OE2 no hydrogen 3.236 N/A SER 195.A OG ASP 187.A OD2 no hydrogen 3.331 N/A SER 195.A OG THR 190.A OG1 no hydrogen 2.514 N/A SER 195.A OG GLU 345.A OE1 no hydrogen 2.903 N/A THR 199.A OG1 PHE 196.A O no hydrogen 2.873 N/A GLN 200.A N ASN 197.A O no hydrogen 3.062 N/A PHE 201.A N THR 199.A OG1 no hydrogen 3.421 N/A SER 206.A N PRO 188.A O no hydrogen 2.921 N/A SER 206.A OG HIS 182.A NE2 no hydrogen 3.018 N/A GLY 208.A N SER 206.A OG no hydrogen 3.287 N/A LEU 209.A N SER 206.A O no hydrogen 3.239 N/A ASN 211.A N GLU 152.A OE2 no hydrogen 3.180 N/A VAL 214.A N SER 103.A OG no hydrogen 2.744 N/A GLN 215.A N VAL 159.A O no hydrogen 3.002 N/A GLN 215.A NE2 GLY 98.A O no hydrogen 2.811 N/A GLN 215.A NE2 THR 216.A O no hydrogen 2.900 N/A THR 216.A OG1 PHE 177.A O no hydrogen 3.051 N/A ILE 217.A N ILE 161.A O no hydrogen 2.801 N/A SER 218.A N GLU 94.A OE1 no hydrogen 3.218 N/A SER 218.A OG GLU 94.A OE2 no hydrogen 2.414 N/A ARG 219.A NH1 ILE 170.A O no hydrogen 2.883 N/A ARG 219.A NH2 ILE 170.A O no hydrogen 2.749 N/A ALA 220.A N ALA 173.A O no hydrogen 2.677 N/A ALA 222.A N SER 218.A O no hydrogen 2.968 N/A GLU 223.A N ARG 219.A O no hydrogen 2.906 N/A LYS 224.A N ALA 220.A O no hydrogen 2.883 N/A LYS 224.A NZ VAL 93.A O no hydrogen 3.417 N/A LEU 225.A N ALA 221.A O no hydrogen 2.903 N/A PHE 226.A N ALA 222.A O no hydrogen 2.872 N/A GLY 227.A N GLU 223.A O no hydrogen 2.906 N/A ASN 228.A N LEU 225.A O no hydrogen 2.909 N/A ASN 228.A ND2 LYS 224.A O no hydrogen 2.733 N/A MET 229.A N PHE 226.A O no hydrogen 3.300 N/A GLU 230.A N VAL 246.A O no hydrogen 2.597 N/A TRP 237.A N PRO 234.A O no hydrogen 3.113 N/A ASP 240.A N THR 239.A OG1 no hydrogen 2.608 N/A THR 242.A OG1 GLU 223.A OE2 no hydrogen 3.439 N/A CYS 243.A N ASP 240.A O no hydrogen 3.358 N/A CYS 243.A SG ARG 244.A O no hydrogen 3.909 N/A ARG 244.A NH1 SER 241.A O no hydrogen 2.987 N/A ARG 244.A NH1 CYS 243.A O no hydrogen 2.504 N/A MET 245.A N GLU 230.A O no hydrogen 3.020 N/A VAL 246.A N GLU 230.A O no hydrogen 2.890 N/A THR 247.A N LEU 112.A O no hydrogen 3.368 N/A SER 248.A OG ASN 228.A O no hydrogen 3.172 N/A SER 250.A OG ASP 84.A OD1 no hydrogen 2.723 N/A LYS 251.A NZ ASN 228.A OD1 no hydrogen 3.195 N/A ASN 252.A N VAL 83.A O no hydrogen 2.909 N/A VAL 253.A N GLY 110.A O no hydrogen 2.857 N/A LYS 254.A N ILE 81.A O no hydrogen 2.865 N/A LYS 254.A NZ THR 109.A OG1 no hydrogen 3.238 N/A LEU 255.A N VAL 108.A O no hydrogen 2.883 N/A THR 256.A N SER 79.A O no hydrogen 2.911 N/A THR 256.A OG1 THR 107.A OG1 no hydrogen 3.049 N/A VAL 257.A N ALA 106.A O no hydrogen 2.920 N/A SER 258.A N ASN 78.A OD1 no hydrogen 3.165 N/A SER 258.A OG ASN 78.A OD1 no hydrogen 3.283 N/A ASN 259.A ND2 GLN 71.A OE1 no hydrogen 3.464 N/A VAL 260.A N VAL 72.A O no hydrogen 2.899 N/A LYS 262.A N ILE 70.A O no hydrogen 2.882 N/A ILE 264.A N VAL 68.A O no hydrogen 2.876 N/A ILE 266.A N HIS 66.A O no hydrogen 2.878 N/A ASN 268.A N ASP 64.A O no hydrogen 2.890 N/A ASN 268.A ND2 GLY 342.A O no hydrogen 3.169 N/A ILE 269.A N SER 332.A O no hydrogen 2.952 N/A PHE 270.A N TRP 62.A O no hydrogen 2.921 N/A GLY 271.A N PHE 330.A O no hydrogen 2.898 N/A VAL 272.A N LYS 60.A O no hydrogen 2.839 N/A ILE 273.A N ILE 328.A O no hydrogen 2.902 N/A LYS 274.A N SER 59.A OG no hydrogen 3.122 N/A GLY 275.A N SER 327.A OG no hydrogen 2.860 N/A PHE 276.A N PRO 324.A O no hydrogen 2.681 N/A VAL 277.A N SER 325.A O no hydrogen 3.234 N/A GLU 278.A N SER 325.A O no hydrogen 2.640 N/A HIS 281.A N GLU 278.A O no hydrogen 3.459 N/A TYR 282.A N LYS 357.A O no hydrogen 3.238 N/A VAL 283.A N SER 327.A O no hydrogen 3.260 N/A VAL 284.A N THR 360.A O no hydrogen 2.836 N/A VAL 285.A N ILE 329.A O no hydrogen 2.640 N/A GLY 286.A N ILE 362.A O no hydrogen 3.130 N/A ALA 287.A N ALA 331.A O no hydrogen 3.075 N/A GLN 288.A N ASP 365.A OD1 no hydrogen 2.443 N/A GLN 288.A NE2 ASP 290.A O no hydrogen 2.685 N/A GLN 288.A NE2 ASP 337.A OD1 no hydrogen 2.314 N/A ARG 289.A N TRP 333.A O no hydrogen 3.096 N/A ARG 289.A NE SER 332.A OG no hydrogen 2.968 N/A ARG 289.A NH1 ASP 42.A O no hydrogen 3.235 N/A ARG 289.A NH2 LEU 267.A O no hydrogen 2.310 N/A ARG 289.A NH2 SER 332.A O no hydrogen 3.414 N/A ALA 291.A N ARG 35.A O no hydrogen 2.741 N/A TRP 292.A N ASP 337.A OD2 no hydrogen 3.102 N/A ALA 296.A N ASP 451.A O no hydrogen 2.856 N/A ALA 297.A N ASP 451.A OD1 no hydrogen 2.830 N/A LYS 298.A NZ ASP 337.A OD1 no hydrogen 3.456 N/A SER 299.A OG GLY 295.A O no hydrogen 2.671 N/A GLY 300.A N GLY 295.A O no hydrogen 3.024 N/A VAL 301.A N ALA 296.A O no hydrogen 3.157 N/A THR 303.A N SER 299.A O no hydrogen 2.901 N/A THR 303.A OG1 SER 299.A O no hydrogen 2.644 N/A THR 303.A OG1 GLY 300.A O no hydrogen 2.851 N/A ALA 304.A N GLY 300.A O no hydrogen 2.933 N/A LEU 305.A N VAL 301.A O no hydrogen 2.905 N/A LEU 306.A N GLY 302.A O no hydrogen 2.901 N/A LEU 307.A N THR 303.A O no hydrogen 2.930 N/A LYS 308.A N ALA 304.A O no hydrogen 2.944 N/A LYS 308.A NZ THR 23.A OG1 no hydrogen 3.386 N/A LEU 309.A N LEU 305.A O no hydrogen 2.871 N/A ALA 310.A N LEU 306.A O no hydrogen 2.957 N/A GLN 311.A N LEU 307.A O no hydrogen 2.938 N/A MET 312.A N LYS 308.A O no hydrogen 2.896 N/A PHE 313.A N LEU 309.A O no hydrogen 2.935 N/A SER 314.A N ALA 310.A O no hydrogen 2.931 N/A SER 314.A OG PHE 56.A O no hydrogen 2.260 N/A ASP 315.A N GLN 311.A O no hydrogen 2.926 N/A MET 316.A N MET 312.A O no hydrogen 2.899 N/A VAL 317.A N PHE 313.A O no hydrogen 2.934 N/A LEU 318.A N SER 314.A O no hydrogen 2.921 N/A LYS 319.A N ASP 315.A O no hydrogen 2.873 N/A ASP 320.A N MET 316.A O no hydrogen 3.217 N/A PHE 322.A N MET 316.A O no hydrogen 2.863 N/A SER 325.A N THR 482.A O no hydrogen 2.700 N/A SER 325.A OG GLU 278.A OE1 no hydrogen 3.544 N/A ARG 326.A NE LEU 481.A O no hydrogen 2.893 N/A ARG 326.A NH1 ASP 484.A O no hydrogen 3.307 N/A ARG 326.A NH2 LEU 481.A O no hydrogen 2.862 N/A ARG 326.A NH2 ASP 484.A O no hydrogen 2.970 N/A SER 327.A N HIS 281.A O no hydrogen 2.881 N/A SER 327.A OG PRO 279.A O no hydrogen 2.701 N/A ILE 328.A N ILE 273.A O no hydrogen 2.915 N/A ILE 329.A N VAL 283.A O no hydrogen 2.832 N/A PHE 330.A N GLY 271.A O no hydrogen 2.865 N/A ALA 331.A N VAL 285.A O no hydrogen 2.720 N/A SER 332.A N ILE 269.A O no hydrogen 2.877 N/A TRP 333.A N ALA 287.A O no hydrogen 3.036 N/A TRP 333.A NE1 TYR 361.A OH no hydrogen 3.052 N/A SER 334.A N ASN 268.A OD1 no hydrogen 3.189 N/A SER 334.A OG ASP 42.A OD1 no hydrogen 3.313 N/A GLY 336.A N ASP 290.A OD1 no hydrogen 2.586 N/A VAL 341.A N ALA 335.A O no hydrogen 3.386 N/A GLY 342.A N SER 334.A O no hydrogen 3.090 N/A THR 344.A N SER 340.A O no hydrogen 2.629 N/A THR 344.A OG1 SER 340.A O no hydrogen 2.802 N/A GLU 345.A N VAL 341.A O no hydrogen 2.890 N/A TRP 346.A N GLY 342.A O no hydrogen 2.929 N/A LEU 347.A N ALA 343.A O no hydrogen 2.895 N/A GLU 348.A N THR 344.A O no hydrogen 2.886 N/A GLY 349.A N GLU 345.A O no hydrogen 2.905 N/A TYR 350.A N TRP 346.A O no hydrogen 3.164 N/A TYR 350.A OH ASP 64.A OD1 no hydrogen 2.655 N/A SER 353.A N TYR 350.A O no hydrogen 3.144 N/A LEU 354.A N TYR 350.A O no hydrogen 3.215 N/A LYS 357.A NZ ASP 280.A OD2 no hydrogen 3.082 N/A PHE 359.A N TYR 282.A O no hydrogen 2.977 N/A THR 360.A OG1 PHE 359.A O no hydrogen 2.567 N/A TYR 361.A N PRO 431.A O no hydrogen 2.676 N/A TYR 361.A OH ASN 363.A OD1 no hydrogen 3.067 N/A ILE 362.A N VAL 284.A O no hydrogen 2.876 N/A ASN 363.A N VAL 433.A O no hydrogen 2.920 N/A ASN 363.A ND2 ASP 365.A OD2 no hydrogen 3.425 N/A ASN 363.A ND2 ASN 419.A OD1 no hydrogen 2.993 N/A LEU 364.A N GLY 286.A O no hydrogen 3.142 N/A LYS 366.A N LYS 298.A O no hydrogen 3.478 N/A LEU 369.A N PHE 437.A O no hydrogen 2.737 N/A THR 371.A N GLU 439.A OE2 no hydrogen 3.067 N/A THR 371.A OG1 GLU 439.A OE2 no hydrogen 3.525 N/A SER 372.A N GLU 439.A OE2 no hydrogen 3.142 N/A SER 372.A OG GLU 439.A OE1 no hydrogen 2.518 N/A SER 372.A OG GLU 439.A OE2 no hydrogen 3.016 N/A ASN 373.A N CYS 438.A O no hydrogen 2.899 N/A LYS 375.A N CYS 436.A O no hydrogen 2.920 N/A SER 377.A N SER 434.A O no hydrogen 2.884 N/A SER 377.A OG GLU 413.A O no hydrogen 2.844 N/A SER 379.A N ALA 432.A O no hydrogen 3.206 N/A SER 379.A OG GLU 562.A OE1 no hydrogen 2.545 N/A LEU 382.A N SER 379.A O no hydrogen 3.049 N/A TYR 383.A N PRO 380.A O no hydrogen 2.925 N/A TYR 383.A OH ALA 378.A O no hydrogen 3.393 N/A THR 384.A OG1 ASP 490.A OD2 no hydrogen 2.510 N/A ILE 386.A N LEU 382.A O no hydrogen 2.697 N/A GLU 387.A N TYR 383.A O no hydrogen 2.717 N/A LYS 388.A N THR 384.A O no hydrogen 2.796 N/A THR 389.A N LEU 385.A O no hydrogen 3.154 N/A THR 389.A OG1 LEU 385.A O no hydrogen 2.448 N/A MET 390.A N ILE 386.A O no hydrogen 2.808 N/A GLN 391.A N GLU 387.A O no hydrogen 3.158 N/A ASN 392.A N THR 389.A O no hydrogen 3.499 N/A HIS 395.A N GLN 400.A O no hydrogen 2.542 N/A GLY 399.A N HIS 395.A O no hydrogen 3.228 N/A GLN 400.A N THR 398.A OG1 no hydrogen 3.391 N/A LEU 402.A N VAL 393.A O no hydrogen 3.116 N/A TYR 403.A N MET 390.A O no hydrogen 2.699 N/A GLN 404.A NE2 PHE 401.A O no hydrogen 3.015 N/A SER 406.A OG ASN 407.A OD1 no hydrogen 3.298 N/A ASN 407.A N ASP 405.A OD1 no hydrogen 3.092 N/A TRP 408.A NE1 GLU 387.A OE2 no hydrogen 2.931 N/A SER 410.A OG ASN 407.A O no hydrogen 2.810 N/A LYS 411.A N TRP 408.A O no hydrogen 2.910 N/A LYS 411.A NZ ASP 405.A OD2 no hydrogen 2.909 N/A THR 416.A OG1 ASP 418.A OD1 no hydrogen 2.394 N/A ASN 419.A N THR 416.A O no hydrogen 3.203 N/A ASN 419.A ND2 SER 434.A OG no hydrogen 3.172 N/A ALA 421.A N ASN 419.A OD1 no hydrogen 2.950 N/A PHE 422.A N ASN 419.A O no hydrogen 3.254 N/A LEU 425.A N ALA 421.A O no hydrogen 2.949 N/A ALA 426.A N PHE 422.A O no hydrogen 2.875 N/A TYR 427.A N PRO 423.A O no hydrogen 3.296 N/A SER 428.A N PRO 423.A O no hydrogen 3.368 N/A SER 428.A OG PRO 423.A O no hydrogen 3.544 N/A SER 428.A OG PHE 424.A O no hydrogen 2.730 N/A ILE 430.A N PHE 424.A O no hydrogen 2.861 N/A VAL 433.A N TYR 361.A O no hydrogen 2.898 N/A SER 434.A N SER 377.A O no hydrogen 2.924 N/A CYS 436.A N LYS 375.A O no hydrogen 2.917 N/A PHE 437.A N ALA 367.A O no hydrogen 2.974 N/A CYS 438.A N ASN 373.A O no hydrogen 2.898 N/A CYS 438.A SG GLU 439.A O no hydrogen 3.663 N/A LEU 446.A N TYR 443.A O no hydrogen 3.424 N/A THR 448.A N TYR 445.A O no hydrogen 3.227 N/A THR 448.A OG1 TYR 445.A O no hydrogen 2.722 N/A MET 450.A N THR 448.A OG1 no hydrogen 3.267 N/A THR 452.A N MET 450.A O no hydrogen 2.705 N/A LEU 456.A N TYR 453.A O no hydrogen 3.269 N/A ILE 457.A N TYR 453.A O no hydrogen 2.894 N/A GLU 458.A N LYS 454.A O no hydrogen 2.975 N/A ARG 459.A N GLU 455.A O no hydrogen 3.436 N/A ILE 460.A N LEU 456.A O no hydrogen 2.994 N/A VAL 466.A N GLU 462.A O no hydrogen 3.183 N/A ALA 467.A N LEU 463.A O no hydrogen 2.898 N/A ARG 468.A N ASN 464.A O no hydrogen 2.881 N/A ARG 468.A NE ASP 16.A OD1 no hydrogen 2.719 N/A ARG 468.A NH1 GLU 472.A OE2 no hydrogen 3.184 N/A ARG 468.A NH2 GLU 472.A OE1 no hydrogen 3.516 N/A ALA 469.A N LYS 465.A O no hydrogen 2.895 N/A ALA 470.A N VAL 466.A O no hydrogen 2.950 N/A ALA 471.A N ALA 467.A O no hydrogen 2.885 N/A GLU 472.A N ARG 468.A O no hydrogen 2.829 N/A VAL 473.A N ALA 469.A O no hydrogen 2.936 N/A ALA 474.A N ALA 470.A O no hydrogen 2.965 N/A GLY 475.A N ALA 471.A O no hydrogen 2.822 N/A GLN 476.A N GLU 472.A O no hydrogen 2.894 N/A GLN 476.A NE2 ASN 392.A OD1 no hydrogen 3.175 N/A PHE 477.A N VAL 473.A O no hydrogen 2.951 N/A VAL 478.A N ALA 474.A O no hydrogen 2.919 N/A ILE 479.A N GLY 475.A O no hydrogen 2.869 N/A LYS 480.A N GLN 476.A O no hydrogen 2.929 N/A LEU 481.A N PHE 477.A O no hydrogen 3.263 N/A LEU 481.A N VAL 478.A O no hydrogen 3.314 N/A THR 482.A N ILE 479.A O no hydrogen 3.207 N/A THR 482.A OG1 VAL 478.A O no hydrogen 2.642 N/A THR 482.A OG1 ILE 479.A O no hydrogen 3.418 N/A HIS 483.A N ILE 479.A O no hydrogen 3.024 N/A HIS 483.A ND1 ILE 479.A O no hydrogen 2.979 N/A VAL 485.A N ASP 484.A OD1 no hydrogen 2.626 N/A ASN 488.A ND2 LYS 480.A O no hydrogen 2.290 N/A ASP 490.A N LEU 381.A O no hydrogen 2.954 N/A TYR 491.A OH THR 537.A OG1 no hydrogen 3.093 N/A ARG 493.A NE THR 384.A OG1 no hydrogen 2.770 N/A ARG 493.A NH2 THR 384.A OG1 no hydrogen 3.213 N/A ARG 493.A NH2 GLU 387.A OE1 no hydrogen 3.334 N/A TYR 494.A N TYR 491.A O no hydrogen 2.934 N/A TYR 494.A OH GLU 562.A OE2 no hydrogen 2.841 N/A ASN 495.A N GLU 492.A O no hydrogen 2.918 N/A ASN 495.A ND2 THR 533.A OG1 no hydrogen 3.140 N/A SER 496.A OG ARG 493.A O no hydrogen 3.035 N/A LEU 498.A N TYR 494.A O no hydrogen 2.758 N/A LEU 499.A N ASN 495.A O no hydrogen 2.646 N/A SER 500.A N SER 496.A O no hydrogen 2.832 N/A SER 500.A OG SER 496.A O no hydrogen 3.192 N/A SER 500.A OG GLN 497.A O no hydrogen 3.020 N/A VAL 502.A N LEU 498.A O no hydrogen 3.189 N/A ARG 503.A N LEU 499.A O no hydrogen 3.365 N/A ASP 504.A N SER 500.A O no hydrogen 2.723 N/A LEU 505.A N PHE 501.A O no hydrogen 2.828 N/A ASN 506.A N VAL 502.A O no hydrogen 2.536 N/A GLN 507.A N ARG 503.A O no hydrogen 3.118 N/A GLN 507.A N ASP 504.A O no hydrogen 2.945 N/A TYR 508.A N LEU 505.A O no hydrogen 2.938 N/A ARG 509.A N ASN 506.A O no hydrogen 2.928 N/A ILE 512.A N TYR 508.A O no hydrogen 3.191 N/A LYS 513.A N ARG 509.A O no hydrogen 2.776 N/A GLU 514.A N ALA 510.A O no hydrogen 2.781 N/A GLU 514.A N ASP 511.A O no hydrogen 2.939 N/A MET 515.A N ASP 511.A O no hydrogen 3.185 N/A LEU 517.A N ILE 512.A O no hydrogen 2.955 N/A GLN 520.A N SER 518.A OG no hydrogen 3.193 N/A TYR 523.A N LEU 519.A O no hydrogen 3.134 N/A SER 524.A N GLN 520.A O no hydrogen 2.895 N/A SER 524.A OG GLN 520.A O no hydrogen 2.826 N/A ALA 525.A N TRP 521.A O no hydrogen 2.879 N/A ARG 526.A N LEU 522.A O no hydrogen 2.917 N/A GLY 527.A N TYR 523.A O no hydrogen 2.903 N/A ASP 528.A N SER 524.A O no hydrogen 2.870 N/A PHE 529.A N ALA 525.A O no hydrogen 2.918 N/A PHE 530.A N ARG 526.A O no hydrogen 2.925 N/A ARG 531.A N GLY 527.A O no hydrogen 2.895 N/A ARG 531.A NH2 ASP 528.A OD2 no hydrogen 3.134 N/A ALA 532.A N ASP 528.A O no hydrogen 2.866 N/A THR 533.A N PHE 529.A O no hydrogen 2.930 N/A THR 533.A OG1 PHE 529.A O no hydrogen 3.191 N/A THR 533.A OG1 PHE 530.A O no hydrogen 2.456 N/A SER 534.A N PHE 530.A O no hydrogen 2.935 N/A SER 534.A OG PHE 530.A O no hydrogen 3.058 N/A ARG 535.A N ARG 531.A O no hydrogen 2.881 N/A ARG 535.A NH1 SER 630.A O no hydrogen 3.497 N/A LEU 536.A N ALA 532.A O no hydrogen 2.902 N/A THR 537.A N THR 533.A O no hydrogen 2.909 N/A THR 537.A OG1 TYR 491.A OH no hydrogen 3.093 N/A THR 537.A OG1 GLU 492.A OE1 no hydrogen 2.560 N/A THR 537.A OG1 THR 533.A O no hydrogen 2.950 N/A THR 538.A N SER 534.A O no hydrogen 2.936 N/A THR 538.A OG1 SER 534.A O no hydrogen 3.211 N/A THR 538.A OG1 ARG 535.A O no hydrogen 2.716 N/A ASP 539.A N ARG 535.A O no hydrogen 2.898 N/A PHE 540.A N LEU 536.A O no hydrogen 2.890 N/A GLY 541.A N THR 537.A O no hydrogen 2.930 N/A ASN 542.A N THR 538.A O no hydrogen 2.915 N/A LYS 545.A NZ GLU 486.A OE1 no hydrogen 2.817 N/A ASP 547.A N GLU 544.A O no hydrogen 3.216 N/A PHE 549.A N ASP 547.A OD1 no hydrogen 3.220 N/A MET 551.A N ASP 547.A O no hydrogen 3.224 N/A LYS 552.A N ARG 548.A O no hydrogen 2.878 N/A LYS 552.A NZ ASP 556.A OD2 no hydrogen 3.159 N/A LYS 553.A N PHE 549.A O no hydrogen 2.969 N/A LEU 554.A N VAL 550.A O no hydrogen 2.944 N/A ASN 555.A N MET 551.A O no hydrogen 2.874 N/A ASN 555.A ND2 VAL 485.A O no hydrogen 3.353 N/A ASP 556.A N LYS 552.A O no hydrogen 2.923 N/A VAL 558.A N LEU 554.A O no hydrogen 2.957 N/A MET 559.A N ASN 555.A O no hydrogen 2.803 N/A VAL 561.A N VAL 558.A O no hydrogen 3.281 N/A HIS 564.A N ARG 560.A O no hydrogen 3.119 N/A PHE 565.A N GLU 562.A O no hydrogen 3.417 N/A LEU 566.A N TYR 563.A O no hydrogen 3.038 N/A SER 567.A N ARG 578.A O no hydrogen 2.914 N/A SER 575.A N SER 571.A O no hydrogen 2.774 N/A ARG 578.A NE SER 567.A O no hydrogen 3.146 N/A ARG 578.A NH2 SER 567.A O no hydrogen 3.202 N/A HIS 579.A N ALA 426.A O no hydrogen 3.155 N/A HIS 579.A NE2 GLU 562.A OE2 no hydrogen 2.449 N/A VAL 580.A N PHE 565.A O no hydrogen 3.050 N/A PHE 581.A N HIS 579.A ND1 no hydrogen 3.075 N/A TRP 582.A N HIS 579.A ND1 no hydrogen 3.409 N/A TRP 582.A NE1 TYR 494.A OH no hydrogen 2.966 N/A GLY 583.A N HIS 579.A O no hydrogen 2.786 N/A SER 584.A N PHE 577.A O no hydrogen 3.163 N/A HIS 587.A NE2 PHE 577.A O no hydrogen 2.724 N/A THR 588.A N GLY 585.A O no hydrogen 3.346 N/A THR 588.A OG1 GLY 585.A O no hydrogen 3.107 N/A LEU 589.A N VAL 580.A O no hydrogen 2.914 N/A ALA 591.A N THR 588.A OG1 no hydrogen 3.167 N/A LEU 592.A N THR 588.A O no hydrogen 3.070 N/A LEU 593.A N LEU 589.A O no hydrogen 2.958 N/A GLU 594.A N PRO 590.A O no hydrogen 2.859 N/A ASN 595.A N ALA 591.A O no hydrogen 2.905 N/A ASN 595.A ND2 ASN 607.A O no hydrogen 3.267 N/A ASN 595.A ND2 GLN 614.A OE1 no hydrogen 3.104 N/A LEU 596.A N LEU 592.A O no hydrogen 2.938 N/A LYS 597.A N LEU 593.A O no hydrogen 2.926 N/A LEU 598.A N ASN 595.A O no hydrogen 3.147 N/A ARG 599.A N LEU 596.A O no hydrogen 3.279 N/A ARG 599.A NH1 ASP 511.A OD1 no hydrogen 3.004 N/A ARG 599.A NH1 GLU 514.A OE1 no hydrogen 2.943 N/A ARG 599.A NH2 GLU 514.A OE1 no hydrogen 3.463 N/A ASN 602.A N ARG 599.A O no hydrogen 3.149 N/A ALA 605.A N ASN 603.A O no hydrogen 2.672 N/A THR 609.A OG1 ASN 607.A OD1 no hydrogen 2.897 N/A LEU 610.A N ASN 607.A OD1 no hydrogen 3.157 N/A PHE 611.A N ASN 607.A O no hydrogen 2.847 N/A ARG 612.A N GLU 608.A O no hydrogen 2.706 N/A ARG 612.A NH2 MET 515.A O no hydrogen 3.000 N/A ASN 613.A N THR 609.A O no hydrogen 2.952 N/A ASN 613.A ND2 THR 609.A O no hydrogen 2.687 N/A GLN 614.A N LEU 610.A O no hydrogen 2.885 N/A GLN 614.A NE2 SER 586.A O no hydrogen 2.659 N/A LEU 615.A N PHE 611.A O no hydrogen 2.870 N/A ALA 616.A N ARG 612.A O no hydrogen 2.942 N/A LEU 617.A N ASN 613.A O no hydrogen 2.924 N/A ALA 618.A N GLN 614.A O no hydrogen 2.896 N/A THR 619.A N LEU 615.A O no hydrogen 2.888 N/A THR 619.A OG1 LEU 615.A O no hydrogen 2.382 N/A TRP 620.A N ALA 616.A O no hydrogen 2.964 N/A THR 621.A N LEU 617.A O no hydrogen 2.870 N/A THR 621.A OG1 LEU 617.A O no hydrogen 2.701 N/A ILE 622.A N ALA 618.A O no hydrogen 2.973 N/A GLN 623.A N THR 619.A O no hydrogen 2.919 N/A GLN 623.A NE2 ASP 528.A OD1 no hydrogen 3.314 N/A GLN 623.A NE2 GLN 623.A O no hydrogen 3.520 N/A GLN 623.A NE2 ASN 627.A OD1 no hydrogen 2.900 N/A GLY 624.A N TRP 620.A O no hydrogen 2.810 N/A ALA 625.A N THR 621.A O no hydrogen 2.961 N/A ALA 626.A N ILE 622.A O no hydrogen 2.944 N/A ASN 627.A N GLN 623.A O no hydrogen 2.868 N/A ALA 628.A N GLY 624.A O no hydrogen 2.881 N/A LEU 629.A N ALA 625.A O no hydrogen 2.949 N/A SER 630.A N ALA 626.A O no hydrogen 2.894 N/A SER 630.A N ASN 627.A O no hydrogen 3.230 N/A ASP 635.A N ASP 632.A O no hydrogen 3.382 N/A GLU 639.A N GLU 639.A OE1 no hydrogen 2.607 N/A