Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3p0i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 3.A N GLU 6.A OE1 no hydrogen 2.964 N/A GLU 6.A N ASN 3.A OD1 no hydrogen 2.743 N/A ARG 7.A N ASN 3.A O no hydrogen 3.104 N/A ARG 7.A NE ALA 63.A O no hydrogen 3.010 N/A ARG 7.A NH2 ILE 28.A O no hydrogen 3.413 N/A ARG 7.A NH2 ALA 63.A O no hydrogen 3.439 N/A TYR 8.A N THR 4.A O no hydrogen 2.975 N/A LYS 9.A N ASP 5.A O no hydrogen 2.817 N/A LEU 10.A N GLU 6.A O no hydrogen 3.112 N/A LEU 11.A N ARG 7.A O no hydrogen 2.755 N/A ARG 12.A N TYR 8.A O no hydrogen 2.836 N/A ARG 12.A NE GLU 21.A OE1 no hydrogen 2.764 N/A ARG 12.A NH1 ARG 12.A O no hydrogen 2.831 N/A ARG 12.A NH1 GLY 15.A O no hydrogen 2.704 N/A ARG 12.A NH2 GLU 21.A OE1 no hydrogen 3.430 N/A SER 13.A N LYS 9.A O no hydrogen 3.014 N/A VAL 14.A N LEU 11.A O no hydrogen 3.036 N/A GLY 15.A N ARG 12.A O no hydrogen 3.120 N/A GLU 16.A N SER 202.A O no hydrogen 2.752 N/A CYS 18.A SG ILE 19.A O no hydrogen 3.753 N/A ILE 19.A N ILE 200.A O no hydrogen 3.027 N/A LEU 24.A N GLN 20.A O no hydrogen 2.979 N/A ARG 25.A N GLU 21.A O no hydrogen 2.975 N/A ASN 26.A N SER 22.A O no hydrogen 3.084 N/A LEU 27.A N GLU 23.A O no hydrogen 3.223 N/A ILE 28.A N LEU 24.A O no hydrogen 3.175 N/A GLU 29.A N ARG 25.A O no hydrogen 3.156 N/A LYS 30.A N ASN 26.A O no hydrogen 2.900 N/A LYS 31.A N LEU 27.A O no hydrogen 2.994 N/A LYS 31.A NZ ASP 171.A OD1 no hydrogen 3.050 N/A LYS 31.A NZ ASP 171.A OD2 no hydrogen 2.666 N/A ARG 35.A N ASP 171.A OD2 no hydrogen 3.143 N/A ARG 35.A NH1 LYS 169.A O no hydrogen 3.526 N/A CYS 36.A N GLU 66.A O no hydrogen 3.009 N/A TYR 37.A N ILE 172.A O no hydrogen 3.122 N/A ASP 38.A N VAL 68.A O no hydrogen 3.266 N/A GLY 39.A N ASP 38.A OD1 no hydrogen 2.714 N/A PHE 40.A N TRP 70.A O no hydrogen 3.118 N/A SER 43.A OG GLU 41.A O no hydrogen 3.178 N/A ILE 47.A N ILE 223.A O no hydrogen 2.843 N/A GLN 49.A N HIS 46.A O no hydrogen 2.925 N/A GLY 50.A N HIS 46.A O no hydrogen 2.916 N/A ILE 51.A N ILE 47.A O no hydrogen 2.746 N/A PHE 52.A N ILE 47.A O no hydrogen 3.216 N/A LYS 53.A N ALA 48.A O no hydrogen 3.053 N/A LYS 53.A NZ ASP 38.A OD2 no hydrogen 3.039 N/A LYS 53.A NZ GLN 174.A O no hydrogen 3.394 N/A LYS 53.A NZ GLN 174.A OE1 no hydrogen 2.485 N/A VAL 55.A N ILE 51.A O no hydrogen 2.968 N/A ASN 56.A N PHE 52.A O no hydrogen 3.121 N/A VAL 57.A N LYS 53.A O no hydrogen 2.823 N/A ASN 58.A N ALA 54.A O no hydrogen 2.980 N/A ASN 58.A ND2 GLY 103.A O no hydrogen 2.988 N/A LYS 59.A N VAL 55.A O no hydrogen 3.280 N/A LYS 59.A NZ SER 13.A OG no hydrogen 2.685 N/A LYS 59.A NZ ALA 275.A O no hydrogen 3.387 N/A CYS 60.A N ASN 56.A O no hydrogen 3.003 N/A CYS 60.A SG ASN 56.A O no hydrogen 3.319 N/A THR 61.A N VAL 57.A O no hydrogen 2.841 N/A THR 61.A OG1 VAL 57.A O no hydrogen 3.168 N/A THR 61.A OG1 ASN 58.A O no hydrogen 3.144 N/A ALA 62.A N ASN 58.A O no hydrogen 3.001 N/A ALA 63.A N LYS 59.A O no hydrogen 3.105 N/A ALA 63.A N CYS 60.A O no hydrogen 3.172 N/A GLY 64.A N THR 61.A O no hydrogen 3.055 N/A CYS 65.A N CYS 60.A O no hydrogen 3.089 N/A GLU 66.A N ILE 34.A O no hydrogen 2.756 N/A PHE 67.A N LYS 106.A O no hydrogen 2.974 N/A VAL 68.A N CYS 36.A O no hydrogen 3.042 N/A PHE 69.A N LEU 108.A O no hydrogen 2.790 N/A TRP 70.A N ASP 38.A O no hydrogen 2.814 N/A VAL 71.A N LEU 110.A O no hydrogen 2.759 N/A ALA 72.A N PHE 40.A O no hydrogen 2.953 N/A ASP 73.A N VAL 71.A O no hydrogen 3.026 N/A TRP 74.A N ASP 73.A OD2 no hydrogen 2.932 N/A ALA 76.A N ALA 72.A O no hydrogen 3.354 N/A LEU 77.A N ASP 73.A O no hydrogen 3.098 N/A ASN 78.A ND2 GLU 41.A OE2 no hydrogen 3.175 N/A ASP 79.A N LEU 77.A O no hydrogen 3.305 N/A LYS 80.A N ALA 76.A O no hydrogen 2.842 N/A GLU 84.A N VAL 81.A O no hydrogen 2.854 N/A ILE 88.A N LEU 85.A O no hydrogen 2.821 N/A VAL 91.A N LYS 87.A O no hydrogen 3.244 N/A GLY 92.A N ILE 88.A O no hydrogen 2.859 N/A ARG 93.A N ARG 89.A O no hydrogen 2.752 N/A TYR 94.A N ILE 90.A O no hydrogen 3.120 N/A LEU 95.A N VAL 91.A O no hydrogen 2.905 N/A ILE 96.A N GLY 92.A O no hydrogen 3.221 N/A GLU 97.A N ARG 93.A O no hydrogen 3.198 N/A VAL 98.A N TYR 94.A O no hydrogen 2.994 N/A TRP 99.A N LEU 95.A O no hydrogen 3.263 N/A TRP 99.A NE1 GLN 49.A O no hydrogen 2.923 N/A LYS 100.A N ILE 96.A O no hydrogen 3.184 N/A LYS 100.A NZ GLU 97.A OE2 no hydrogen 2.880 N/A ALA 101.A N GLU 97.A O no hydrogen 3.380 N/A ALA 102.A N VAL 98.A O no hydrogen 2.638 N/A GLY 103.A N TRP 99.A O no hydrogen 3.040 N/A GLY 103.A N LYS 100.A O no hydrogen 3.195 N/A LEU 108.A N PHE 67.A O no hydrogen 2.888 N/A LEU 110.A N PHE 69.A O no hydrogen 2.909 N/A SER 112.A N VAL 71.A O no hydrogen 3.100 N/A SER 112.A OG VAL 71.A O no hydrogen 3.272 N/A SER 112.A OG ASP 73.A OD2 no hydrogen 2.596 N/A SER 113.A N ASP 73.A OD2 no hydrogen 3.040 N/A SER 113.A OG ASP 73.A OD1 no hydrogen 3.015 N/A GLU 115.A N TRP 111.A O no hydrogen 3.032 N/A ILE 116.A N SER 112.A O no hydrogen 2.911 N/A THR 117.A N SER 113.A O no hydrogen 3.197 N/A THR 117.A OG1 SER 113.A O no hydrogen 3.028 N/A THR 117.A OG1 ASP 453.A OD1 no hydrogen 2.517 N/A THR 117.A OG1 ASP 453.A OD2 no hydrogen 3.469 N/A SER 118.A N GLU 114.A O no hydrogen 3.128 N/A SER 118.A OG GLU 114.A O no hydrogen 2.754 N/A HIS 119.A N ILE 116.A O no hydrogen 3.038 N/A HIS 119.A ND1 GLU 115.A O no hydrogen 2.962 N/A TYR 123.A N HIS 119.A O no hydrogen 3.000 N/A TYR 123.A OH ASP 164.A OD1 no hydrogen 2.771 N/A TRP 124.A N ALA 120.A O no hydrogen 2.928 N/A ARG 125.A N ASP 121.A O no hydrogen 3.279 N/A ARG 125.A NH2 ASP 403.A O no hydrogen 3.439 N/A LEU 127.A N TRP 124.A O no hydrogen 2.965 N/A ASP 128.A N ARG 125.A O no hydrogen 3.010 N/A ARG 131.A N LEU 127.A O no hydrogen 3.016 N/A ARG 131.A N ASP 128.A O no hydrogen 3.162 N/A ARG 131.A NE ASP 128.A OD1 no hydrogen 2.973 N/A ARG 131.A NH1 ASP 410.A OD1 no hydrogen 3.301 N/A ARG 131.A NH2 ASP 128.A OD1 no hydrogen 2.635 N/A GLN 132.A N ASP 128.A O no hydrogen 3.109 N/A GLN 132.A NE2 ASP 128.A OD2 no hydrogen 2.680 N/A ALA 136.A N THR 134.A OG1 no hydrogen 3.379 N/A ARG 137.A NE GLU 187.A OE1 no hydrogen 2.977 N/A ARG 137.A NE GLU 187.A OE2 no hydrogen 3.258 N/A ARG 137.A NH1 ARG 137.A O no hydrogen 3.032 N/A ARG 137.A NH2 LYS 181.A O no hydrogen 3.285 N/A ARG 137.A NH2 GLU 187.A OE2 no hydrogen 3.190 N/A ILE 138.A N THR 134.A O no hydrogen 3.416 N/A LYS 139.A N ILE 135.A O no hydrogen 2.769 N/A LYS 140.A N ALA 136.A O no hydrogen 2.989 N/A CYS 141.A N ILE 138.A O no hydrogen 2.984 N/A CYS 141.A SG ARG 137.A O no hydrogen 3.717 N/A CYS 141.A SG LYS 181.A O no hydrogen 3.796 N/A CYS 142.A SG LYS 146.A O no hydrogen 3.327 N/A THR 143.A OG1 ASP 253.A O no hydrogen 3.311 N/A ILE 144.A N CYS 141.A O no hydrogen 3.496 N/A LYS 146.A N CYS 142.A O no hydrogen 3.153 N/A THR 150.A N GLU 148.A O no hydrogen 2.755 N/A ALA 153.A N GLN 155.A OE1 no hydrogen 2.984 N/A TYR 158.A OH GLU 41.A OE2 no hydrogen 2.555 N/A GLN 161.A NE2 GLN 179.A OE1 no hydrogen 3.042 N/A CYS 162.A N PRO 159.A O no hydrogen 2.772 N/A CYS 163.A N LEU 160.A O no hydrogen 3.023 N/A CYS 163.A SG TYR 123.A O no hydrogen 3.764 N/A PHE 166.A N CYS 163.A O no hydrogen 2.854 N/A PHE 167.A N CYS 163.A O no hydrogen 2.989 N/A LEU 168.A N ASP 164.A O no hydrogen 2.989 N/A LYS 169.A N PHE 166.A O no hydrogen 2.957 N/A ALA 170.A N ILE 165.A O no hydrogen 2.970 N/A ASP 171.A N ARG 35.A O no hydrogen 2.955 N/A ILE 172.A N ARG 35.A O no hydrogen 2.925 N/A CYS 173.A N VAL 199.A O no hydrogen 2.683 N/A CYS 173.A SG ASN 183.A OD1 no hydrogen 3.784 N/A GLN 174.A N TYR 37.A O no hydrogen 2.974 N/A GLN 174.A NE2 LEU 201.A O no hydrogen 2.671 N/A GLN 179.A NE2 ILE 144.A O no hydrogen 2.896 N/A ARG 180.A N LEU 177.A O no hydrogen 3.303 N/A ARG 180.A NE GLU 17.A OE1 no hydrogen 3.413 N/A ARG 180.A NH2 GLU 17.A OE1 no hydrogen 2.969 N/A LYS 181.A NZ LYS 140.A O no hydrogen 3.144 N/A VAL 182.A N GLN 179.A O no hydrogen 3.030 N/A ASN 183.A N GLN 179.A O no hydrogen 3.282 N/A ALA 185.A N VAL 182.A O no hydrogen 3.035 N/A ARG 186.A N ASN 183.A O no hydrogen 3.009 N/A ARG 186.A NH1 GLU 23.A OE1 no hydrogen 2.863 N/A ARG 186.A NH1 PRO 198.A O no hydrogen 2.788 N/A ARG 186.A NH2 GLU 23.A OE1 no hydrogen 3.388 N/A ARG 186.A NH2 GLU 23.A OE2 no hydrogen 2.981 N/A TYR 188.A N LEU 184.A O no hydrogen 2.896 N/A TYR 188.A OH ASP 128.A OD2 no hydrogen 2.911 N/A CYS 189.A N ALA 185.A O no hydrogen 3.012 N/A CYS 189.A N ARG 186.A O no hydrogen 3.299 N/A CYS 189.A SG ALA 185.A O no hydrogen 3.778 N/A CYS 189.A SG LEU 196.A O no hydrogen 3.802 N/A ILE 192.A N TYR 188.A O no hydrogen 3.082 N/A ARG 194.A NE LEU 196.A O no hydrogen 2.895 N/A LYS 197.A NZ ASP 190.A OD1 no hydrogen 2.766 N/A VAL 199.A N ASP 171.A O no hydrogen 3.166 N/A LEU 201.A N CYS 173.A O no hydrogen 3.109 N/A SER 202.A N GLU 17.A O no hydrogen 3.316 N/A HIS 203.A N LEU 175.A O no hydrogen 3.106 N/A HIS 203.A ND1 HIS 204.A O no hydrogen 3.113 N/A HIS 204.A ND1 GLU 16.A OE1 no hydrogen 2.608 N/A HIS 204.A NE2 ASP 267.A OD2 no hydrogen 3.003 N/A ALA 206.A N ASP 267.A OD2 no hydrogen 3.262 N/A GLY 207.A N GLN 212.A O no hydrogen 3.362 N/A LEU 208.A N SER 221.A O no hydrogen 2.693 N/A GLN 210.A NE2 ASP 260.A OD1 no hydrogen 3.076 N/A SER 215.A N SER 221.A OG no hydrogen 3.375 N/A SER 221.A N ASP 218.A O no hydrogen 3.310 N/A SER 221.A OG SER 215.A O no hydrogen 3.191 N/A SER 221.A OG ASP 218.A O no hydrogen 2.626 N/A PHE 224.A N ASP 226.A OD2 no hydrogen 2.775 N/A ASP 226.A N PHE 224.A O no hydrogen 2.998 N/A GLU 229.A N GLU 229.A OE1 no hydrogen 3.166 N/A ASP 230.A N THR 227.A OG1 no hydrogen 3.094 N/A VAL 231.A N THR 227.A O no hydrogen 2.849 N/A ALA 232.A N GLU 228.A O no hydrogen 3.116 N/A ARG 233.A N GLU 229.A O no hydrogen 3.050 N/A ARG 233.A NH1 ASP 220.A OD1 no hydrogen 3.058 N/A ARG 233.A NH2 ASP 230.A OD1 no hydrogen 3.255 N/A LYS 234.A N ASP 230.A O no hydrogen 2.979 N/A LYS 234.A NZ PRO 219.A O no hydrogen 2.907 N/A LYS 234.A NZ ALA 222.A O no hydrogen 3.202 N/A LYS 234.A NZ ASP 226.A OD1 no hydrogen 3.413 N/A LYS 234.A NZ ASP 226.A OD2 no hydrogen 2.747 N/A ILE 235.A N VAL 231.A O no hydrogen 3.357 N/A ARG 236.A N ALA 232.A O no hydrogen 2.860 N/A ARG 236.A NH1 SER 310.A OG no hydrogen 3.093 N/A ARG 236.A NH2 SER 310.A OG no hydrogen 2.819 N/A GLN 237.A N ARG 233.A O no hydrogen 3.264 N/A GLN 237.A NE2 ASP 220.A OD2 no hydrogen 3.058 N/A ALA 238.A N ILE 235.A O no hydrogen 3.057 N/A TYR 239.A N LEU 208.A O no hydrogen 2.789 N/A TYR 239.A OH ASP 260.A O no hydrogen 2.665 N/A ARG 242.A NE PHE 298.A O no hydrogen 3.388 N/A GLN 245.A N GLU 295.A OE1 no hydrogen 3.381 N/A GLN 245.A NE2 VAL 243.A O no hydrogen 2.978 N/A GLN 245.A NE2 ASP 261.A O no hydrogen 3.020 N/A THR 251.A OG1 ASP 253.A OD2 no hydrogen 2.840 N/A ARG 262.A N THR 259.A O no hydrogen 3.263 N/A ASN 263.A N GLN 245.A OE1 no hydrogen 3.090 N/A ASN 263.A ND2 PRO 241.A O no hydrogen 2.498 N/A LEU 266.A N ASN 263.A OD1 no hydrogen 2.742 N/A ASP 267.A N ASN 263.A O no hydrogen 2.910 N/A TYR 268.A N PRO 264.A O no hydrogen 2.733 N/A PHE 269.A N VAL 265.A O no hydrogen 3.214 N/A GLN 270.A N LEU 266.A O no hydrogen 2.938 N/A CYS 271.A N ASP 267.A O no hydrogen 3.101 N/A CYS 271.A SG ASP 267.A O no hydrogen 3.504 N/A CYS 271.A SG ASP 267.A OD1 no hydrogen 3.561 N/A VAL 272.A N TYR 268.A O no hydrogen 2.879 N/A TYR 274.A N PHE 269.A O no hydrogen 3.014 N/A TYR 274.A OH TYR 288.A O no hydrogen 2.637 N/A ARG 276.A N VAL 273.A O no hydrogen 2.883 N/A ARG 276.A NE VAL 272.A O no hydrogen 3.145 N/A ARG 276.A NH2 GLU 315.A OE2 no hydrogen 3.197 N/A ALA 279.A N ARG 276.A O no hydrogen 3.428 N/A ALA 281.A N TYR 274.A OH no hydrogen 3.313 N/A THR 282.A OG1 THR 287.A OG1 no hydrogen 2.642 N/A ILE 283.A N THR 286.A O no hydrogen 3.008 N/A THR 286.A N ILE 283.A O no hydrogen 3.098 N/A THR 286.A OG1 ILE 283.A O no hydrogen 3.459 N/A THR 286.A OG1 TYR 288.A OH no hydrogen 3.172 N/A THR 287.A OG1 THR 282.A OG1 no hydrogen 2.642 N/A TYR 288.A N ALA 281.A O no hydrogen 2.854 N/A TYR 291.A OH GLU 295.A OE1 no hydrogen 2.397 N/A LEU 294.A N THR 290.A O no hydrogen 3.409 N/A GLU 295.A N TYR 291.A O no hydrogen 2.988 N/A GLN 296.A N GLU 292.A O no hydrogen 3.143 N/A ALA 297.A N ASP 293.A O no hydrogen 3.150 N/A PHE 298.A N LEU 294.A O no hydrogen 3.015 N/A VAL 299.A N GLU 295.A O no hydrogen 3.043 N/A SER 300.A N GLN 296.A O no hydrogen 2.791 N/A SER 300.A OG GLN 296.A O no hydrogen 2.649 N/A ASP 301.A N PHE 298.A O no hydrogen 2.953 N/A VAL 303.A N ALA 297.A O no hydrogen 2.985 N/A LEU 308.A N SER 304.A O no hydrogen 2.956 N/A LYS 309.A N GLU 305.A O no hydrogen 2.750 N/A LYS 309.A NZ ARG 236.A O no hydrogen 2.578 N/A LYS 309.A NZ ALA 238.A O no hydrogen 2.655 N/A LYS 309.A NZ GLU 305.A OE2 no hydrogen 3.252 N/A SER 310.A N ASP 306.A O no hydrogen 2.977 N/A SER 310.A OG ASP 306.A O no hydrogen 3.012 N/A CYS 311.A N ALA 307.A O no hydrogen 2.891 N/A CYS 311.A N LEU 308.A O no hydrogen 3.015 N/A LEU 312.A N LEU 308.A O no hydrogen 3.098 N/A ILE 313.A N LYS 309.A O no hydrogen 3.145 N/A ASP 314.A N SER 310.A O no hydrogen 3.402 N/A GLU 315.A N CYS 311.A O no hydrogen 2.810 N/A VAL 316.A N LEU 312.A O no hydrogen 2.752 N/A ASN 317.A N ILE 313.A O no hydrogen 3.017 N/A ALA 318.A N ASP 314.A O no hydrogen 3.018 N/A LEU 320.A N VAL 316.A O no hydrogen 3.127 N/A GLU 321.A N ASN 317.A O no hydrogen 2.947 N/A ARG 324.A N LEU 320.A O no hydrogen 2.973 N/A ARG 324.A NE GLU 321.A OE1 no hydrogen 3.465 N/A ARG 324.A NH1 ASP 226.A O no hydrogen 2.680 N/A ARG 324.A NH2 ASN 317.A OD1 no hydrogen 3.217 N/A ARG 324.A NH2 GLU 321.A OE1 no hydrogen 3.200 N/A GLN 325.A N GLU 321.A O no hydrogen 2.681 N/A HIS 326.A N PRO 322.A O no hydrogen 3.138 N/A PHE 327.A N VAL 323.A O no hydrogen 3.185 N/A ALA 328.A N ARG 324.A O no hydrogen 3.016 N/A ALA 328.A N GLN 325.A O no hydrogen 3.122 N/A SER 329.A N HIS 326.A O no hydrogen 2.939 N/A SER 329.A OG GLN 325.A O no hydrogen 3.212 N/A ASN 330.A N HIS 326.A O no hydrogen 2.799 N/A ALA 333.A N ASN 330.A OD1 no hydrogen 2.797 N/A HIS 334.A N ASN 330.A O no hydrogen 2.880 N/A GLU 335.A N GLU 331.A O no hydrogen 2.856 N/A LEU 336.A N GLU 332.A O no hydrogen 3.128 N/A LEU 337.A N ALA 333.A O no hydrogen 2.987 N/A GLU 338.A N HIS 334.A O no hydrogen 2.666 N/A ALA 339.A N GLU 335.A O no hydrogen 2.605 N/A VAL 340.A N LEU 336.A O no hydrogen 2.986 N/A LYS 341.A N LEU 337.A O no hydrogen 2.675 N/A SER 342.A N GLU 338.A O no hydrogen 2.682 N/A SER 342.A OG GLU 338.A O no hydrogen 3.485 N/A SER 342.A OG ALA 339.A O no hydrogen 3.106 N/A TYR 343.A N VAL 340.A O no hydrogen 3.076 N/A ARG 344.A N VAL 340.A O no hydrogen 3.066 N/A THR 349.A OG1 ALA 348.A O no hydrogen 2.729 N/A HIS 365.A N SER 499.A OG no hydrogen 2.824 N/A HIS 365.A NE2 THR 398.A OG1 no hydrogen 2.919 N/A ALA 366.A N THR 396.A O no hydrogen 2.759 N/A CYS 367.A N HIS 500.A O no hydrogen 3.134 N/A LEU 371.A N PRO 369.A O no hydrogen 2.952 N/A LEU 376.A N LEU 542.A O no hydrogen 2.561 N/A VAL 378.A N PRO 375.A O no hydrogen 3.266 N/A ALA 379.A N PRO 375.A O no hydrogen 3.276 N/A GLU 380.A N LEU 376.A O no hydrogen 3.015 N/A GLY 381.A N ASP 377.A O no hydrogen 3.169 N/A LYS 383.A N GLU 380.A O no hydrogen 3.270 N/A LYS 383.A NZ ASP 387.A OD1 no hydrogen 3.193 N/A LYS 383.A NZ ASP 387.A OD2 no hydrogen 3.357 N/A VAL 384.A N GLY 381.A O no hydrogen 3.198 N/A LYS 386.A N ILE 382.A O no hydrogen 3.253 N/A ASP 387.A N LYS 383.A O no hydrogen 2.869 N/A PHE 388.A N VAL 384.A O no hydrogen 2.920 N/A ILE 389.A N THR 385.A O no hydrogen 3.035 N/A ALA 390.A N LYS 386.A O no hydrogen 3.016 N/A ALA 391.A N ASP 387.A O no hydrogen 3.184 N/A HIS 392.A N ILE 389.A O no hydrogen 3.226 N/A GLY 395.A N HIS 392.A O no hydrogen 2.865 N/A THR 396.A N PRO 364.A O no hydrogen 3.246 N/A THR 398.A N ALA 366.A O no hydrogen 2.821 N/A THR 398.A OG1 HIS 365.A NE2 no hydrogen 2.919 N/A LEU 399.A N LYS 440.A O no hydrogen 2.788 N/A LEU 401.A N VAL 442.A O no hydrogen 2.978 N/A ASP 403.A N LEU 401.A O no hydrogen 2.927 N/A TRP 404.A NE1 ASN 445.A OD1 no hydrogen 3.212 N/A SER 405.A N GLU 444.A OE1 no hydrogen 3.074 N/A SER 405.A OG GLU 444.A OE1 no hydrogen 2.362 N/A SER 405.A OG GLU 444.A OE2 no hydrogen 2.752 N/A ALA 406.A N PRO 402.A O no hydrogen 3.324 N/A ALA 408.A N TRP 404.A O no hydrogen 3.164 N/A SER 409.A N SER 405.A O no hydrogen 2.823 N/A SER 409.A OG SER 405.A O no hydrogen 3.023 N/A ASP 410.A N VAL 407.A O no hydrogen 3.100 N/A GLU 411.A N ALA 406.A O no hydrogen 3.092 N/A THR 413.A OG1 ASP 418.A OD2 no hydrogen 2.710 N/A GLY 414.A N GLU 411.A O no hydrogen 2.971 N/A ILE 419.A N VAL 415.A O no hydrogen 3.282 N/A SER 420.A N GLU 416.A O no hydrogen 3.046 N/A ALA 421.A N LYS 417.A O no hydrogen 3.180 N/A ALA 422.A N ASP 418.A O no hydrogen 2.890 N/A LEU 423.A N ILE 419.A O no hydrogen 2.965 N/A GLN 424.A N SER 420.A O no hydrogen 3.110 N/A VAL 425.A N ALA 421.A O no hydrogen 2.971 N/A ASN 426.A N ALA 422.A O no hydrogen 3.017 N/A ASN 426.A ND2 ALA 422.A O no hydrogen 3.238 N/A CYS 427.A N LEU 423.A O no hydrogen 3.021 N/A ALA 428.A N GLN 424.A O no hydrogen 3.287 N/A LEU 429.A N VAL 425.A O no hydrogen 3.009 N/A LEU 430.A N ASN 426.A O no hydrogen 3.170 N/A LYS 431.A N CYS 427.A O no hydrogen 3.129 N/A ALA 432.A N ALA 428.A O no hydrogen 3.276 N/A TYR 433.A N LEU 429.A O no hydrogen 2.691 N/A GLY 434.A N LYS 431.A O no hydrogen 2.761 N/A LEU 435.A N LEU 430.A O no hydrogen 3.077 N/A LYS 440.A N VAL 397.A O no hydrogen 2.877 N/A VAL 442.A N LEU 399.A O no hydrogen 2.886 N/A GLU 444.A N LEU 401.A O no hydrogen 3.023 N/A ASN 445.A N ASP 403.A OD2 no hydrogen 2.985 N/A GLU 446.A N THR 443.A OG1 no hydrogen 3.247 N/A VAL 447.A N THR 443.A O no hydrogen 3.222 N/A ILE 448.A N GLU 444.A O no hydrogen 2.873 N/A LEU 449.A N ASN 445.A O no hydrogen 2.928 N/A GLY 450.A N GLU 446.A O no hydrogen 2.926 N/A ASN 451.A N ILE 448.A O no hydrogen 2.639 N/A PHE 455.A N ASN 451.A O no hydrogen 3.348 N/A TRP 456.A N CYS 452.A O no hydrogen 3.205 N/A VAL 457.A N ASP 453.A O no hydrogen 2.788 N/A SER 458.A N ASP 454.A O no hydrogen 3.020 N/A SER 458.A OG PHE 455.A O no hydrogen 2.919 N/A VAL 459.A N PHE 455.A O no hydrogen 2.890 N/A ILE 460.A N TRP 456.A O no hydrogen 2.760 N/A GLY 461.A N VAL 457.A O no hydrogen 3.005 N/A ILE 462.A N SER 458.A O no hydrogen 2.778 N/A ALA 463.A N VAL 459.A O no hydrogen 2.896 N/A ARG 464.A N ILE 460.A O no hydrogen 3.074 N/A ARG 464.A NE LEU 77.A O no hydrogen 3.213 N/A ARG 464.A NH1 GLU 354.A O no hydrogen 2.427 N/A ARG 464.A NH2 GLU 354.A O no hydrogen 3.292 N/A LYS 465.A N ILE 462.A O no hydrogen 3.311 N/A ASN 466.A N ILE 462.A O no hydrogen 3.445 N/A ASN 466.A ND2 ILE 462.A O no hydrogen 3.550 N/A LEU 468.A N THR 152.A O no hydrogen 2.876 N/A HIS 470.A N LEU 467.A O no hydrogen 3.222 N/A VAL 471.A N LEU 467.A O no hydrogen 3.433 N/A GLU 472.A N LEU 468.A O no hydrogen 3.103 N/A GLU 473.A N HIS 470.A O no hydrogen 2.843 N/A LEU 474.A N VAL 471.A O no hydrogen 3.106 N/A TYR 475.A N GLU 472.A O no hydrogen 3.180 N/A TYR 475.A OH GLN 484.A O no hydrogen 2.828 N/A GLY 476.A N GLU 473.A O no hydrogen 2.757 N/A GLY 477.A N GLU 472.A O no hydrogen 2.809 N/A ARG 480.A N GLN 484.A OE1 no hydrogen 2.991 N/A ARG 480.A NH1 GLU 411.A OE2 no hydrogen 3.506 N/A ASN 481.A ND2 SER 409.A O no hydrogen 3.272 N/A ALA 482.A N ASN 133.A O no hydrogen 3.443 N/A GLY 483.A N GLY 130.A O no hydrogen 2.932 N/A GLN 484.A N ASN 481.A O no hydrogen 3.253 N/A GLN 484.A N ASN 481.A OD1 no hydrogen 3.077 N/A VAL 485.A N ALA 482.A O no hydrogen 2.740 N/A ILE 486.A N ALA 482.A O no hydrogen 3.232 N/A ALA 487.A N GLY 483.A O no hydrogen 2.896 N/A ALA 488.A N GLN 484.A O no hydrogen 3.279 N/A LEU 489.A N VAL 485.A O no hydrogen 3.495 N/A ARG 490.A NH1 ASP 507.A OD1 no hydrogen 3.203 N/A ARG 490.A NH1 ASN 511.A OD1 no hydrogen 3.014 N/A VAL 491.A N ALA 488.A O no hydrogen 3.339 N/A ALA 492.A N LEU 489.A O no hydrogen 3.154 N/A ALA 494.A N ARG 490.A O no hydrogen 2.847 N/A LEU 495.A N VAL 491.A O no hydrogen 3.064 N/A SER 497.A N LEU 495.A O no hydrogen 3.114 N/A VAL 498.A N ALA 494.A O no hydrogen 3.026 N/A SER 499.A N HIS 365.A O no hydrogen 2.615 N/A SER 499.A OG HIS 365.A O no hydrogen 2.921 N/A SER 499.A OG HIS 500.A ND1 no hydrogen 2.554 N/A HIS 500.A N HIS 365.A O no hydrogen 3.188 N/A HIS 500.A ND1 SER 499.A OG no hydrogen 2.554 N/A VAL 501.A N ASP 523.A O no hydrogen 2.950 N/A ILE 502.A N CYS 367.A O no hydrogen 3.010 N/A SER 503.A N VAL 525.A O no hydrogen 2.873 N/A THR 504.A N ASP 507.A OD2 no hydrogen 3.174 N/A SER 505.A N GLU 529.A OE2 no hydrogen 3.439 N/A SER 505.A OG GLU 529.A OE1 no hydrogen 2.625 N/A SER 505.A OG GLU 529.A OE2 no hydrogen 3.435 N/A ILE 510.A N ASP 507.A O no hydrogen 3.416 N/A ASN 511.A ND2 ILE 502.A O no hydrogen 3.661 N/A ALA 512.A N HIS 509.A O no hydrogen 3.314 N/A PHE 513.A N ILE 510.A O no hydrogen 3.147 N/A ALA 514.A N ASN 511.A O no hydrogen 3.091 N/A ARG 515.A NH2 GLU 520.A OE2 no hydrogen 3.288 N/A GLU 516.A N ALA 512.A O no hydrogen 3.072 N/A TYR 517.A N PHE 513.A O no hydrogen 2.964 N/A THR 518.A N ARG 515.A O no hydrogen 3.223 N/A THR 518.A OG1 ALA 514.A O no hydrogen 3.018 N/A THR 518.A OG1 ARG 515.A O no hydrogen 2.758 N/A GLU 520.A N ARG 515.A O no hydrogen 2.923 N/A ARG 521.A N THR 518.A O no hydrogen 2.994 N/A ILE 522.A N THR 518.A OG1 no hydrogen 3.206 N/A ASP 523.A N SER 499.A O no hydrogen 3.179 N/A VAL 525.A N VAL 501.A O no hydrogen 2.977 N/A THR 527.A N SER 503.A O no hydrogen 2.848 N/A GLY 530.A N ASP 377.A OD2 no hydrogen 3.021 N/A ARG 531.A N ASP 377.A OD1 no hydrogen 3.066 N/A ILE 532.A N ASP 377.A OD1 no hydrogen 3.421 N/A LEU 535.A N ASP 540.A O no hydrogen 3.193 N/A HIS 536.A ND1 ARG 537.A O no hydrogen 2.880 N/A TYR 543.A OH ASP 539.A OD2 no hydrogen 2.605 N/A LEU 544.A N VAL 374.A O no hydrogen 2.840 N/A ASP 546.A N TYR 543.A O no hydrogen 3.271 N/A ASN 547.A N ASP 549.A OD2 no hydrogen 2.890 N/A ILE 550.A N ASN 547.A O no hydrogen 3.214 N/A ARG 551.A N ASP 548.A O no hydrogen 3.240 N/A ARG 551.A NE ASP 548.A OD2 no hydrogen 3.339 N/A ARG 551.A NH2 ASP 548.A OD1 no hydrogen 3.069 N/A ARG 551.A NH2 ASP 548.A OD2 no hydrogen 3.397 N/A LYS 553.A N ASP 549.A O no hydrogen 2.922 N/A LYS 553.A NZ VAL 541.A O no hydrogen 3.172 N/A LYS 553.A NZ ASP 546.A OD1 no hydrogen 2.598 N/A LYS 556.A N ARG 552.A O no hydrogen 3.161 N/A ALA 557.A N LYS 553.A O no hydrogen 3.222 N/A ALA 557.A N ILE 554.A O no hydrogen 2.669 N/A TYR 558.A N LEU 535.A O no hydrogen 3.134 N/A TYR 558.A OH GLU 563.A OE1 no hydrogen 3.423 N/A TYR 558.A OH GLU 563.A OE2 no hydrogen 2.649 N/A SER 559.A OG SER 559.A O no hydrogen 2.609 N/A ASN 562.A ND2 GLY 607.A O no hydrogen 2.333 N/A ASN 566.A ND2 GLU 563.A OE1 no hydrogen 2.880 N/A ILE 569.A N ASN 566.A OD1 no hydrogen 3.135 N/A SER 570.A N ASN 566.A O no hydrogen 3.169 N/A SER 570.A OG ASN 566.A O no hydrogen 3.124 N/A VAL 571.A N PRO 567.A O no hydrogen 3.374 N/A ALA 572.A N VAL 568.A O no hydrogen 2.970 N/A GLN 573.A N ILE 569.A O no hydrogen 2.760 N/A GLN 573.A NE2 PRO 599.A O no hydrogen 3.201 N/A HIS 574.A N SER 570.A O no hydrogen 3.381 N/A HIS 574.A NE2 GLU 380.A OE1 no hydrogen 2.754 N/A LEU 575.A N VAL 571.A O no hydrogen 3.038 N/A LEU 576.A N ALA 572.A O no hydrogen 2.778 N/A ALA 577.A N GLN 573.A O no hydrogen 2.867 N/A GLN 578.A N HIS 574.A O no hydrogen 2.999 N/A HIS 579.A N LEU 575.A O no hydrogen 2.940 N/A HIS 579.A ND1 ALA 581.A O no hydrogen 3.157 N/A GLY 580.A N LEU 576.A O no hydrogen 2.733 N/A LEU 582.A N TYR 596.A O no hydrogen 2.915 N/A ARG 586.A NE ASP 615.A OD2 no hydrogen 2.757 N/A ARG 586.A NH1 GLY 592.A O no hydrogen 2.585 N/A ASN 590.A N GLU 588.A O no hydrogen 2.666 N/A GLY 591.A N ALA 589.A O no hydrogen 2.622 N/A GLY 592.A N GLY 587.A O no hydrogen 3.103 N/A VAL 594.A N ILE 584.A O no hydrogen 3.489 N/A SER 595.A OG LEU 582.A O no hydrogen 3.479 N/A TYR 596.A N LEU 582.A O no hydrogen 2.865 N/A TYR 596.A OH ASP 605.A OD2 no hydrogen 2.796 N/A VAL 603.A N PRO 599.A O no hydrogen 3.415 N/A ALA 604.A N GLU 600.A O no hydrogen 3.477 N/A CYS 606.A N LEU 602.A O no hydrogen 2.978 N/A CYS 606.A SG LEU 602.A O no hydrogen 3.532 N/A ASP 615.A N HIS 612.A O no hydrogen 2.967 N/A LEU 616.A N HIS 612.A O no hydrogen 3.436 N/A LYS 617.A N PRO 613.A O no hydrogen 2.926 N/A LYS 617.A NZ ILE 554.A O no hydrogen 2.497 N/A LYS 617.A NZ LYS 555.A O no hydrogen 2.869 N/A LYS 617.A NZ ALA 557.A O no hydrogen 3.163 N/A ALA 618.A N ALA 614.A O no hydrogen 3.013 N/A ALA 619.A N ASP 615.A O no hydrogen 3.467 N/A VAL 620.A N LEU 616.A O no hydrogen 2.942 N/A LEU 621.A N LYS 617.A O no hydrogen 3.085 N/A GLN 622.A N ALA 618.A O no hydrogen 3.415 N/A LEU 623.A N ALA 619.A O no hydrogen 3.264 N/A LEU 624.A N VAL 620.A O no hydrogen 2.868 N/A LEU 625.A N LEU 621.A O no hydrogen 2.959 N/A ASP 626.A N GLN 622.A O no hydrogen 2.696 N/A ARG 627.A N LEU 623.A O no hydrogen 2.903 N/A ARG 627.A NH2 GLU 380.A OE1 no hydrogen 3.559 N/A ARG 627.A NH2 GLN 578.A OE1 no hydrogen 3.286 N/A SER 628.A N LEU 624.A O no hydrogen 3.076 N/A SER 628.A OG LEU 624.A O no hydrogen 3.059 N/A SER 628.A OG LEU 625.A O no hydrogen 2.857 N/A ALA 629.A N LEU 625.A O no hydrogen 2.706 N/A ARG 632.A N SER 628.A O no hydrogen 2.995 N/A ARG 632.A N ALA 629.A O no hydrogen 3.213 N/A ARG 632.A NE SER 628.A OG no hydrogen 3.094 N/A ARG 632.A NH2 LEU 625.A O no hydrogen 3.323 N/A ALA 633.A N ALA 629.A O no hydrogen 3.270 N/A LEU 635.A N ARG 632.A O no hydrogen 2.880 N/A GLY 637.A N LEU 634.A O no hydrogen 3.345 N/A LEU 639.A N LEU 634.A O no hydrogen 2.883 N/A LEU 645.A N ASN 642.A O no hydrogen 2.939 N/A ASN 647.A N THR 643.A O no hydrogen 3.108 N/A ALA 648.A N VAL 644.A O no hydrogen 3.189 N/A GLU 649.A N LEU 645.A O no hydrogen 3.090 N/A LYS 651.A N ALA 648.A O no hydrogen 2.795 N/A LYS 653.A N LYS 651.A O no hydrogen 3.137 N/A