Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w3k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 VAL 722.A O no hydrogen 2.943 N/A ARG 2.A NH2 MET 716.A O no hydrogen 3.372 N/A ARG 2.A NH2 VAL 722.A O no hydrogen 2.931 N/A SER 3.A OG CYS 6.A O no hydrogen 2.919 N/A ASP 7.A N GLU 13.A O no hydrogen 3.055 N/A GLU 8.A N SER 3.A OG no hydrogen 3.250 N/A LYS 9.A N ILE 11.A O no hydrogen 3.085 N/A LYS 9.A NZ GLU 13.A OE2 no hydrogen 3.352 N/A ILE 11.A N LYS 9.A O no hydrogen 3.133 N/A ALA 12.A N GLU 32.A O no hydrogen 2.865 N/A GLU 13.A N ASP 7.A O no hydrogen 2.955 N/A CYS 14.A N ASP 34.A O no hydrogen 2.913 N/A ASN 16.A N SER 36.A O no hydrogen 3.220 N/A ARG 17.A N ASN 38.A OD1 no hydrogen 3.129 N/A ARG 17.A NE PRO 5.A O no hydrogen 3.086 N/A ARG 17.A NH2 ASP 7.A OD2 no hydrogen 2.320 N/A ARG 18.A NH1 ASP 729.A OD1 no hydrogen 2.651 N/A ARG 18.A NH2 VAL 728.A O no hydrogen 2.957 N/A ARG 18.A NH2 ASP 729.A OD1 no hydrogen 3.479 N/A LEU 19.A N ASN 38.A OD1 no hydrogen 3.181 N/A THR 25.A OG1 TYR 4.A O no hydrogen 2.019 N/A GLY 27.A N GLU 8.A OE2 no hydrogen 2.988 N/A VAL 30.A N GLY 27.A O no hydrogen 3.271 N/A THR 31.A N VAL 10.A O no hydrogen 2.958 N/A THR 31.A OG1 VAL 10.A O no hydrogen 2.931 N/A LEU 33.A N LYS 56.A O no hydrogen 2.897 N/A ASP 34.A N ALA 12.A O no hydrogen 3.105 N/A LEU 35.A N ASN 58.A O no hydrogen 2.702 N/A SER 36.A N ASP 34.A OD1 no hydrogen 3.149 N/A SER 36.A OG ASP 34.A OD1 no hydrogen 3.397 N/A ASP 37.A N ASN 60.A O no hydrogen 2.853 N/A ASN 38.A N ASN 62.A OD1 no hydrogen 2.911 N/A ASN 38.A ND2 CYS 14.A O no hydrogen 3.255 N/A ASN 38.A ND2 LEU 35.A O no hydrogen 2.575 N/A PHE 39.A N LEU 19.A O no hydrogen 2.789 N/A THR 41.A OG1 HIS 42.A ND1 no hydrogen 2.597 N/A HIS 42.A ND1 THR 41.A OG1 no hydrogen 2.597 N/A ILE 43.A N ASN 68.A O no hydrogen 2.845 N/A THR 44.A N SER 47.A OG no hydrogen 2.555 N/A THR 44.A OG1 ASN 45.A OD1 no hydrogen 3.098 N/A SER 47.A N THR 44.A O no hydrogen 2.898 N/A SER 47.A OG THR 44.A O no hydrogen 2.723 N/A LEU 51.A N PHE 48.A O no hydrogen 2.696 N/A GLN 52.A NE2 ASN 76.A O no hydrogen 3.009 N/A THR 55.A N THR 31.A O no hydrogen 3.033 N/A THR 55.A OG1 THR 31.A O no hydrogen 3.343 N/A ILE 57.A N GLU 82.A O no hydrogen 2.865 N/A ASN 58.A N LEU 33.A O no hydrogen 2.975 N/A LEU 59.A N LEU 84.A O no hydrogen 2.904 N/A ASN 60.A N ASN 58.A OD1 no hydrogen 2.719 N/A HIS 61.A N GLU 86.A O no hydrogen 2.728 N/A ASN 62.A N ASN 88.A OD1 no hydrogen 2.775 N/A ASN 62.A ND2 LEU 35.A O no hydrogen 3.080 N/A ASN 62.A ND2 LEU 59.A O no hydrogen 2.892 N/A ASN 64.A N ASN 38.A O no hydrogen 3.113 N/A VAL 65.A N HIS 61.A NE2 no hydrogen 3.482 N/A LEU 67.A N ASN 88.A O no hydrogen 3.166 N/A ASN 68.A N THR 41.A O no hydrogen 2.908 N/A THR 70.A N ILE 43.A O no hydrogen 3.091 N/A THR 70.A OG1 ILE 43.A O no hydrogen 3.453 N/A GLY 72.A N SER 95.A O no hydrogen 2.975 N/A ALA 73.A N THR 70.A O no hydrogen 3.166 N/A LEU 75.A N GLY 72.A O no hydrogen 3.136 N/A LEU 77.A N PHE 74.A O no hydrogen 3.224 N/A ARG 81.A N THR 55.A O no hydrogen 2.583 N/A GLU 82.A N THR 55.A O no hydrogen 3.117 N/A LEU 83.A N GLU 103.A O no hydrogen 2.983 N/A LEU 84.A N ILE 57.A O no hydrogen 2.938 N/A LEU 85.A N SER 105.A O no hydrogen 2.908 N/A ASP 87.A N ILE 107.A O no hydrogen 3.330 N/A ASN 88.A N ASN 109.A OD1 no hydrogen 3.019 N/A ASN 88.A ND2 LEU 59.A O no hydrogen 3.619 N/A LEU 90.A N ASN 109.A OD1 no hydrogen 3.010 N/A SER 100.A OG LYS 78.A O no hydrogen 3.361 N/A SER 100.A OG LEU 80.A O no hydrogen 2.529 N/A LEU 101.A N PRO 98.A O no hydrogen 3.241 N/A THR 102.A N ARG 81.A O no hydrogen 2.941 N/A THR 102.A OG1 ARG 81.A O no hydrogen 3.486 N/A THR 102.A OG1 GLU 103.A OE1 no hydrogen 2.237 N/A GLU 103.A N ARG 81.A O no hydrogen 3.168 N/A LEU 104.A N ASN 127.A O no hydrogen 2.948 N/A SER 105.A N LEU 83.A O no hydrogen 3.150 N/A SER 105.A OG GLU 86.A OE2 no hydrogen 2.678 N/A LEU 106.A N TYR 129.A O no hydrogen 2.733 N/A GLN 108.A N ALA 131.A O no hydrogen 2.888 N/A GLN 108.A NE2 TYR 135.A OH no hydrogen 3.038 N/A ASN 109.A ND2 LEU 85.A O no hydrogen 3.315 N/A ASN 109.A ND2 LEU 106.A O no hydrogen 2.563 N/A ASN 110.A N LEU 90.A O no hydrogen 2.844 N/A ASN 110.A ND2 GLN 89.A O no hydrogen 3.590 N/A ILE 111.A N ASN 133.A OD1 no hydrogen 2.859 N/A ILE 114.A N ASN 144.A O no hydrogen 2.834 N/A LYS 116.A N GLU 146.A OE1 no hydrogen 3.139 N/A LYS 116.A NZ GLU 146.A OE2 no hydrogen 2.337 N/A ILE 119.A N THR 115.A O no hydrogen 3.166 N/A SER 120.A N LYS 116.A O no hydrogen 2.894 N/A SER 120.A OG VAL 149.A O no hydrogen 2.790 N/A SER 120.A OG THR 152.A OG1 no hydrogen 3.204 N/A ARG 121.A NH1 GLU 117.A O no hydrogen 3.513 N/A LEU 122.A N ILE 119.A O no hydrogen 3.130 N/A LYS 126.A N THR 102.A O no hydrogen 2.506 N/A LYS 126.A NZ GLU 157.A OE1 no hydrogen 2.580 N/A ASN 127.A N THR 102.A O no hydrogen 3.111 N/A LEU 128.A N LEU 158.A O no hydrogen 2.940 N/A TYR 129.A N LEU 104.A O no hydrogen 2.863 N/A LEU 130.A N SER 160.A O no hydrogen 2.852 N/A TRP 132.A N SER 162.A O no hydrogen 2.852 N/A ASN 133.A N ASN 164.A OD1 no hydrogen 3.118 N/A ASN 133.A ND2 LEU 106.A O no hydrogen 3.476 N/A ASN 133.A ND2 ALA 131.A O no hydrogen 3.021 N/A CYS 134.A N ASN 164.A OD1 no hydrogen 3.192 N/A CYS 134.A SG GLU 141.A O no hydrogen 3.268 N/A LYS 138.A N TYR 135.A O no hydrogen 3.114 N/A LYS 138.A NZ ASN 110.A OD1 no hydrogen 2.780 N/A LYS 138.A NZ ASN 133.A O no hydrogen 2.507 N/A CYS 140.A SG LYS 138.A O no hydrogen 3.544 N/A LYS 142.A N GLU 141.A OE2 no hydrogen 3.214 N/A THR 143.A N SER 165.A O no hydrogen 3.009 N/A ASN 144.A N TYR 112.A O no hydrogen 2.864 N/A GLU 146.A N ILE 114.A O no hydrogen 3.095 N/A VAL 149.A N GLU 146.A O no hydrogen 3.133 N/A GLU 151.A N GLY 148.A O no hydrogen 3.093 N/A THR 152.A OG1 SER 120.A O no hydrogen 3.042 N/A THR 152.A OG1 SER 120.A OG no hydrogen 3.204 N/A LEU 153.A N PHE 150.A O no hydrogen 2.917 N/A GLU 157.A N LYS 126.A O no hydrogen 2.899 N/A LEU 158.A N LYS 126.A O no hydrogen 3.055 N/A LEU 159.A N LYS 179.A O no hydrogen 3.223 N/A SER 160.A N LEU 128.A O no hydrogen 3.141 N/A LEU 161.A N PHE 181.A O no hydrogen 2.855 N/A PHE 163.A N SER 183.A O no hydrogen 2.839 N/A ASN 164.A ND2 LEU 130.A O no hydrogen 3.168 N/A ASN 164.A ND2 LEU 161.A O no hydrogen 2.726 N/A SER 165.A OG GLN 186.A OE1 no hydrogen 3.015 N/A LEU 166.A N THR 185.A O no hydrogen 2.898 N/A SER 167.A N THR 185.A O no hydrogen 3.211 N/A LYS 172.A NZ ASP 147.A OD2 no hydrogen 2.917 N/A SER 176.A OG THR 154.A O no hydrogen 3.056 N/A SER 176.A OG LEU 156.A O no hydrogen 2.766 N/A LEU 177.A N PRO 174.A O no hydrogen 3.415 N/A ARG 178.A N GLU 157.A O no hydrogen 2.882 N/A LYS 179.A N GLU 157.A O no hydrogen 3.008 N/A LEU 180.A N LEU 203.A O no hydrogen 3.065 N/A PHE 181.A N LEU 159.A O no hydrogen 2.994 N/A LEU 182.A N ASP 205.A O no hydrogen 2.829 N/A SER 183.A OG SER 207.A O no hydrogen 3.135 N/A SER 183.A OG SER 207.A OG no hydrogen 2.832 N/A ASN 184.A N SER 207.A O no hydrogen 2.838 N/A ASN 184.A ND2 SER 183.A OG no hydrogen 2.694 N/A ASN 184.A ND2 TYR 397.A OH no hydrogen 3.149 N/A THR 185.A N ASN 209.A OD1 no hydrogen 2.907 N/A THR 185.A OG1 LEU 182.A O no hydrogen 2.712 N/A THR 185.A OG1 ASN 209.A OD1 no hydrogen 3.185 N/A ILE 187.A N ASN 209.A OD1 no hydrogen 3.238 N/A ILE 190.A N ASN 230.A O no hydrogen 2.793 N/A SER 191.A N ASP 194.A OD2 no hydrogen 2.844 N/A ASP 194.A N SER 191.A O no hydrogen 3.444 N/A LEU 198.A N PHE 195.A O no hydrogen 2.891 N/A THR 202.A N ARG 178.A O no hydrogen 2.563 N/A THR 202.A OG1 ARG 178.A O no hydrogen 3.035 N/A LEU 203.A N ARG 178.A O no hydrogen 3.002 N/A LEU 204.A N TYR 244.A O no hydrogen 2.928 N/A ASP 205.A N LEU 180.A O no hydrogen 2.978 N/A LEU 206.A N ASN 246.A O no hydrogen 2.927 N/A SER 207.A N ASP 205.A OD1 no hydrogen 3.107 N/A SER 207.A OG SER 183.A OG no hydrogen 2.832 N/A SER 207.A OG ASP 205.A OD1 no hydrogen 2.998 N/A GLY 208.A N SER 248.A O no hydrogen 2.865 N/A ASN 209.A ND2 LEU 182.A O no hydrogen 3.319 N/A ASN 209.A ND2 LEU 206.A O no hydrogen 2.718 N/A CYS 210.A SG SER 228.A O no hydrogen 3.762 N/A ARG 212.A N SER 249.A OG no hydrogen 3.168 N/A ARG 212.A NH1 ASN 274.A O no hydrogen 2.828 N/A ARG 212.A NH1 TYR 301.A O no hydrogen 3.035 N/A ARG 212.A NH2 TYR 301.A O no hydrogen 2.638 N/A CYS 213.A SG PRO 211.A O no hydrogen 3.799 N/A ALA 216.A N CYS 213.A O no hydrogen 3.287 N/A GLY 226.A N CYS 223.A O no hydrogen 2.692 N/A ALA 227.A N ASP 224.A O no hydrogen 3.326 N/A SER 228.A OG ILE 229.A O no hydrogen 3.000 N/A SER 228.A OG SER 251.A O no hydrogen 3.372 N/A ILE 229.A N THR 250.A O no hydrogen 2.898 N/A ASN 230.A N LYS 188.A O no hydrogen 2.997 N/A ASP 232.A N ILE 190.A O no hydrogen 2.985 N/A PHE 234.A N ASP 232.A OD2 no hydrogen 3.335 N/A ALA 235.A N ASP 232.A O no hydrogen 2.822 N/A GLN 237.A N PHE 234.A O no hydrogen 3.214 N/A ASN 238.A ND2 LYS 196.A O no hydrogen 2.635 N/A LEU 239.A N PHE 236.A O no hydrogen 2.977 N/A LEU 242.A N LEU 239.A O no hydrogen 2.907 N/A ARG 243.A N THR 202.A O no hydrogen 2.628 N/A ARG 243.A NH1 GLN 241.A O no hydrogen 2.674 N/A ARG 243.A NH1 GLN 241.A OE1 no hydrogen 3.122 N/A TYR 244.A N THR 202.A O no hydrogen 3.002 N/A LEU 245.A N VAL 268.A O no hydrogen 3.015 N/A ASN 246.A N LEU 204.A O no hydrogen 2.882 N/A LEU 247.A N ASP 270.A O no hydrogen 2.861 N/A SER 248.A N ASN 246.A OD1 no hydrogen 3.313 N/A SER 248.A OG ASN 246.A OD1 no hydrogen 2.918 N/A SER 248.A OG GLU 272.A OE1 no hydrogen 3.076 N/A SER 249.A N GLU 272.A O no hydrogen 2.781 N/A THR 250.A N ASN 274.A OD1 no hydrogen 2.975 N/A THR 250.A OG1 LEU 247.A O no hydrogen 2.729 N/A THR 250.A OG1 ASN 274.A OD1 no hydrogen 3.209 N/A SER 251.A OG CYS 210.A O no hydrogen 2.597 N/A LEU 252.A N ASN 274.A OD1 no hydrogen 2.989 N/A ARG 253.A NH2 GLY 226.A O no hydrogen 2.603 N/A ILE 255.A N GLU 279.A OE2 no hydrogen 2.597 N/A ALA 258.A N ASN 256.A OD1 no hydrogen 2.952 N/A TRP 259.A N ASN 256.A O no hydrogen 3.067 N/A PHE 260.A N ALA 257.A O no hydrogen 3.137 N/A LYS 261.A N ALA 258.A O no hydrogen 3.160 N/A ASN 262.A ND2 GLN 237.A O no hydrogen 3.090 N/A MET 263.A N PHE 260.A O no hydrogen 3.190 N/A LEU 266.A N MET 263.A O no hydrogen 3.410 N/A LYS 267.A N ARG 243.A O no hydrogen 2.793 N/A LYS 267.A NZ TYR 244.A OH no hydrogen 2.864 N/A VAL 268.A N ARG 243.A O no hydrogen 2.956 N/A LEU 269.A N ILE 294.A O no hydrogen 2.989 N/A ASP 270.A N LEU 245.A O no hydrogen 3.090 N/A LEU 271.A N ASP 296.A O no hydrogen 2.884 N/A PHE 273.A N SER 298.A O no hydrogen 2.880 N/A ASN 274.A ND2 LEU 247.A O no hydrogen 3.497 N/A ASN 274.A ND2 LEU 271.A O no hydrogen 2.552 N/A TYR 275.A N LEU 252.A O no hydrogen 2.951 N/A LEU 276.A N ASN 300.A OD1 no hydrogen 2.979 N/A ILE 280.A N LEU 276.A O no hydrogen 2.747 N/A ALA 281.A N VAL 277.A O no hydrogen 3.266 N/A SER 282.A N GLY 278.A O no hydrogen 3.218 N/A SER 282.A N GLU 279.A O no hydrogen 3.121 N/A SER 282.A OG GLY 278.A O no hydrogen 3.096 N/A GLY 283.A N SER 282.A OG no hydrogen 2.748 N/A LEU 286.A N GLY 283.A O no hydrogen 3.188 N/A THR 287.A N ALA 284.A O no hydrogen 3.001 N/A THR 287.A OG1 ALA 284.A O no hydrogen 3.540 N/A MET 288.A N PHE 285.A O no hydrogen 3.297 N/A ARG 291.A NH1 PRO 264.A O no hydrogen 3.420 N/A LEU 292.A N LEU 289.A O no hydrogen 3.313 N/A GLU 293.A N LYS 267.A O no hydrogen 2.858 N/A ILE 294.A N LYS 267.A O no hydrogen 3.016 N/A LEU 295.A N ALA 324.A O no hydrogen 3.139 N/A ASP 296.A N LEU 269.A O no hydrogen 3.126 N/A LEU 297.A N HIS 326.A O no hydrogen 2.802 N/A SER 298.A N ASP 296.A OD1 no hydrogen 2.856 N/A SER 298.A OG ASP 296.A OD1 no hydrogen 2.895 N/A PHE 299.A N ARG 328.A O no hydrogen 2.674 N/A ASN 300.A ND2 LEU 271.A O no hydrogen 3.337 N/A ASN 300.A ND2 LEU 297.A O no hydrogen 2.756 N/A TYR 301.A N GLY 329.A O no hydrogen 3.240 N/A SER 305.A N ILE 302.A O no hydrogen 3.171 N/A TYR 306.A OH PHE 358.A O no hydrogen 2.489 N/A HIS 309.A NE2 GLU 334.A OE1 no hydrogen 3.183 N/A ASN 311.A N TYR 330.A OH no hydrogen 3.364 N/A SER 313.A N ILE 280.A O no hydrogen 3.075 N/A SER 313.A OG SER 282.A O no hydrogen 2.814 N/A ASN 315.A N SER 313.A OG no hydrogen 2.934 N/A ASN 315.A ND2 SER 282.A O no hydrogen 3.496 N/A PHE 316.A N SER 313.A O no hydrogen 2.953 N/A SER 317.A N ARG 314.A O no hydrogen 2.967 N/A SER 317.A OG ARG 314.A O no hydrogen 2.645 N/A LYS 318.A N ASN 315.A O no hydrogen 2.977 N/A LEU 319.A N PHE 316.A O no hydrogen 3.305 N/A SER 321.A OG PRO 290.A O no hydrogen 2.929 N/A ARG 323.A N GLU 293.A O no hydrogen 2.652 N/A ARG 323.A NE GLU 293.A OE1 no hydrogen 3.150 N/A ALA 324.A N GLU 293.A O no hydrogen 3.051 N/A LEU 325.A N THR 351.A O no hydrogen 3.074 N/A HIS 326.A N LEU 295.A O no hydrogen 3.003 N/A LEU 327.A N ASN 353.A O no hydrogen 2.872 N/A GLY 329.A N GLY 355.A O no hydrogen 3.379 N/A GLY 329.A N ILE 356.A O no hydrogen 3.219 N/A TYR 330.A N ASN 357.A OD1 no hydrogen 2.527 N/A VAL 331.A N ASN 357.A OD1 no hydrogen 2.806 N/A GLN 333.A N PRO 307.A O no hydrogen 3.010 N/A GLN 333.A NE2 TYR 306.A O no hydrogen 2.852 N/A GLU 334.A N GLN 308.A O no hydrogen 2.935 N/A LEU 335.A N GLN 361.A O no hydrogen 2.842 N/A ARG 336.A N ASP 339.A OD2 no hydrogen 3.051 N/A ARG 336.A NE ASP 339.A OD1 no hydrogen 3.210 N/A ARG 336.A NE ASP 339.A OD2 no hydrogen 3.095 N/A ARG 336.A NH2 ASP 339.A OD1 no hydrogen 2.910 N/A ASP 339.A N ARG 336.A O no hydrogen 2.989 N/A GLN 341.A N ASP 338.A O no hydrogen 3.350 N/A LEU 343.A N PHE 340.A O no hydrogen 2.894 N/A MET 344.A N GLN 341.A O no hydrogen 3.065 N/A LEU 346.A N LEU 343.A O no hydrogen 3.406 N/A SER 350.A N ARG 323.A O no hydrogen 2.902 N/A SER 350.A OG ARG 323.A O no hydrogen 3.321 N/A THR 351.A N ARG 323.A O no hydrogen 3.153 N/A ILE 352.A N ILE 375.A O no hydrogen 3.055 N/A ASN 353.A N LEU 325.A O no hydrogen 2.979 N/A ASN 353.A ND2 HIS 326.A ND1 no hydrogen 3.246 N/A LEU 354.A N TYR 377.A O no hydrogen 2.769 N/A GLY 355.A N ASN 353.A OD1 no hydrogen 3.060 N/A ILE 356.A N SER 379.A O no hydrogen 3.404 N/A ASN 357.A N ASN 381.A OD1 no hydrogen 2.956 N/A ASN 357.A ND2 LEU 327.A O no hydrogen 3.121 N/A ASN 357.A ND2 LEU 354.A O no hydrogen 2.704 N/A ILE 359.A N ASN 381.A OD1 no hydrogen 3.114 N/A LYS 360.A N GLN 333.A O no hydrogen 2.649 N/A GLN 361.A N GLN 333.A O no hydrogen 3.314 N/A ASP 363.A N LEU 335.A O no hydrogen 2.880 N/A LEU 366.A N ASP 363.A O no hydrogen 3.326 N/A PHE 367.A N PHE 364.A O no hydrogen 3.330 N/A GLN 368.A N LYS 365.A O no hydrogen 3.252 N/A GLN 368.A NE2 LEU 433.A O no hydrogen 2.788 N/A ASN 369.A N LEU 366.A O no hydrogen 3.247 N/A PHE 370.A N PHE 367.A O no hydrogen 3.420 N/A GLU 374.A N SER 350.A O no hydrogen 2.842 N/A ILE 375.A N SER 350.A O no hydrogen 2.923 N/A ILE 376.A N ALA 414.A O no hydrogen 2.840 N/A TYR 377.A N ILE 352.A O no hydrogen 2.847 N/A LEU 378.A N ASP 416.A O no hydrogen 3.000 N/A SER 379.A OG SER 418.A O no hydrogen 3.360 N/A SER 379.A OG SER 418.A OG no hydrogen 2.843 N/A GLU 380.A N SER 418.A O no hydrogen 3.014 N/A ASN 381.A N LEU 419.A O no hydrogen 3.247 N/A ASN 381.A ND2 LEU 354.A O no hydrogen 3.237 N/A ASN 381.A ND2 LEU 378.A O no hydrogen 2.796 N/A ILE 383.A N ASN 420.A OD1 no hydrogen 2.821 N/A LEU 386.A N GLN 429.A OE1 no hydrogen 2.888 N/A HIS 393.A N ASP 391.A OD1 no hydrogen 3.114 N/A HIS 393.A NE2 GLU 86.A OE1 no hydrogen 2.933 N/A SER 394.A N ASP 391.A O no hydrogen 2.930 N/A SER 394.A OG ASP 391.A O no hydrogen 2.903 N/A HIS 398.A N ASN 395.A OD1 no hydrogen 2.910 N/A HIS 398.A ND1 GLU 272.A OE1 no hydrogen 3.129 N/A HIS 398.A ND1 GLU 272.A OE2 no hydrogen 3.152 N/A LYS 405.A NZ TYR 463.A OH no hydrogen 3.230 N/A GLN 407.A N GLN 407.A OE1 no hydrogen 2.737 N/A CYS 408.A N LYS 405.A O no hydrogen 2.814 N/A ALA 409.A N LYS 405.A O no hydrogen 3.008 N/A ALA 410.A N PRO 406.A O no hydrogen 3.054 N/A TYR 411.A N CYS 408.A O no hydrogen 3.108 N/A TYR 411.A OH GLU 486.A OE1 no hydrogen 2.906 N/A GLY 412.A N ALA 409.A O no hydrogen 3.127 N/A LYS 413.A NZ ASN 372.A OD1 no hydrogen 3.157 N/A ALA 414.A N GLU 374.A O no hydrogen 2.677 N/A LEU 415.A N CYS 438.A O no hydrogen 2.905 N/A ASP 416.A N ILE 376.A O no hydrogen 3.076 N/A LEU 417.A N ASN 440.A O no hydrogen 2.865 N/A SER 418.A N ASP 416.A OD1 no hydrogen 2.965 N/A SER 418.A OG SER 379.A OG no hydrogen 2.843 N/A SER 418.A OG ASP 416.A OD1 no hydrogen 2.642 N/A LEU 419.A N SER 442.A O no hydrogen 2.897 N/A ASN 420.A ND2 LEU 378.A O no hydrogen 3.078 N/A ASN 420.A ND2 LEU 417.A O no hydrogen 3.041 N/A ASN 420.A ND2 SER 418.A O no hydrogen 3.203 N/A SER 421.A N ILE 383.A O no hydrogen 2.841 N/A ILE 422.A N ASN 444.A OD1 no hydrogen 3.040 N/A ILE 425.A N GLN 448.A OE1 no hydrogen 2.706 N/A GLN 429.A N GLY 426.A O no hydrogen 3.366 N/A GLU 431.A N ASN 428.A O no hydrogen 3.073 N/A ALA 437.A N LYS 413.A O no hydrogen 3.008 N/A CYS 438.A N LYS 413.A O no hydrogen 2.953 N/A LEU 439.A N TYR 463.A O no hydrogen 3.109 N/A ASN 440.A N LEU 415.A O no hydrogen 3.019 N/A LEU 441.A N ASP 465.A O no hydrogen 2.743 N/A SER 442.A N ASN 440.A OD1 no hydrogen 3.024 N/A SER 442.A OG THR 467.A O no hydrogen 3.246 N/A SER 442.A OG THR 467.A OG1 no hydrogen 2.761 N/A ALA 443.A N THR 467.A O no hydrogen 2.912 N/A ASN 444.A N ASN 469.A OD1 no hydrogen 2.906 N/A ASN 444.A ND2 LEU 417.A O no hydrogen 3.188 N/A ASN 444.A ND2 LEU 441.A O no hydrogen 2.692 N/A ASN 446.A N ASN 469.A OD1 no hydrogen 2.935 N/A ASN 446.A ND2 GLN 448.A OE1 no hydrogen 3.066 N/A GLN 448.A N ASN 446.A OD1 no hydrogen 2.813 N/A GLN 448.A NE2 ILE 425.A O no hydrogen 3.361 N/A SER 451.A N GLU 454.A OE1 no hydrogen 3.017 N/A SER 451.A N GLU 454.A OE2 no hydrogen 3.281 N/A SER 451.A OG GLU 454.A OE2 no hydrogen 2.604 N/A GLY 452.A N GLU 454.A OE1 no hydrogen 3.210 N/A PHE 455.A N GLU 481.A OE2 no hydrogen 2.720 N/A SER 456.A N THR 453.A O no hydrogen 3.236 N/A SER 456.A OG THR 453.A O no hydrogen 3.264 N/A ILE 458.A N PHE 455.A O no hydrogen 2.930 N/A HIS 460.A ND1 ASP 484.A OD2 no hydrogen 3.174 N/A VAL 461.A N ILE 458.A O no hydrogen 3.366 N/A LYS 462.A N ALA 437.A O no hydrogen 2.728 N/A TYR 463.A N ALA 437.A O no hydrogen 3.185 N/A LEU 464.A N VAL 487.A O no hydrogen 2.817 N/A ASP 465.A N LEU 439.A O no hydrogen 2.946 N/A LEU 466.A N ASP 489.A O no hydrogen 2.962 N/A THR 467.A N ASP 465.A OD1 no hydrogen 2.995 N/A THR 467.A OG1 SER 442.A OG no hydrogen 2.761 N/A THR 467.A OG1 ASP 465.A OD1 no hydrogen 2.936 N/A ASN 468.A N SER 491.A O no hydrogen 2.975 N/A ASN 468.A ND2 THR 467.A OG1 no hydrogen 3.002 N/A ASN 469.A ND2 LEU 441.A O no hydrogen 3.260 N/A ASN 469.A ND2 LEU 466.A O no hydrogen 2.891 N/A ARG 470.A N ASN 446.A O no hydrogen 2.816 N/A LEU 471.A N ASN 493.A OD1 no hydrogen 3.183 N/A ASP 472.A N GLN 448.A O no hydrogen 3.286 N/A ASP 474.A N ASP 472.A O no hydrogen 2.926 N/A SER 477.A N ASN 475.A OD1 no hydrogen 2.910 N/A ALA 478.A N ASN 475.A O no hydrogen 3.313 N/A THR 480.A N SER 477.A O no hydrogen 3.144 N/A THR 480.A OG1 SER 477.A O no hydrogen 2.665 N/A GLU 481.A N GLU 481.A OE1 no hydrogen 2.568 N/A LEU 482.A N LEU 479.A O no hydrogen 3.130 N/A SER 483.A OG ASP 484.A OD1 no hydrogen 3.168 N/A LEU 485.A N LEU 482.A O no hydrogen 3.313 N/A GLU 486.A N LYS 462.A O no hydrogen 2.877 N/A VAL 487.A N LYS 462.A O no hydrogen 2.992 N/A LEU 488.A N VAL 517.A O no hydrogen 2.941 N/A ASP 489.A N LEU 464.A O no hydrogen 2.944 N/A LEU 490.A N ASN 519.A O no hydrogen 2.878 N/A SER 491.A N ASP 489.A OD1 no hydrogen 3.073 N/A SER 491.A OG ASP 489.A OD1 no hydrogen 2.792 N/A SER 491.A OG SER 521.A OG no hydrogen 2.671 N/A TYR 492.A N SER 521.A O no hydrogen 3.105 N/A ASN 493.A N ASN 523.A OD1 no hydrogen 2.548 N/A ASN 493.A ND2 LEU 466.A O no hydrogen 3.146 N/A ASN 493.A ND2 LEU 490.A O no hydrogen 2.928 N/A ARG 498.A N SER 494.A O no hydrogen 3.069 N/A ARG 498.A NH2 SER 494.A OG no hydrogen 3.096 N/A ILE 499.A N TYR 496.A O no hydrogen 3.051 N/A VAL 502.A N ILE 499.A O no hydrogen 3.456 N/A THR 503.A OG1 ASP 474.A OD1 no hydrogen 2.518 N/A HIS 504.A N THR 529.A OG1 no hydrogen 3.135 N/A HIS 504.A NE2 TYR 496.A O no hydrogen 2.923 N/A HIS 505.A N PHE 473.A O no hydrogen 2.752 N/A HIS 505.A ND1 GLU 507.A OE2 no hydrogen 2.316 N/A ILE 509.A N LEU 506.A O no hydrogen 3.353 N/A GLN 510.A N GLU 507.A O no hydrogen 3.463 N/A ASN 511.A N PHE 508.A O no hydrogen 3.185 N/A THR 513.A OG1 ASN 514.A OD1 no hydrogen 2.742 N/A LYS 516.A N GLU 486.A O no hydrogen 2.647 N/A VAL 517.A N GLU 486.A O no hydrogen 3.031 N/A LEU 518.A N GLU 541.A O no hydrogen 3.086 N/A ASN 519.A N LEU 488.A O no hydrogen 3.042 N/A LEU 520.A N VAL 543.A O no hydrogen 2.773 N/A SER 521.A N ASN 519.A OD1 no hydrogen 2.804 N/A SER 521.A OG SER 491.A OG no hydrogen 2.671 N/A SER 521.A OG ASN 519.A OD1 no hydrogen 2.922 N/A HIS 522.A N SER 545.A O no hydrogen 2.726 N/A ASN 523.A N ASN 547.A OD1 no hydrogen 3.117 N/A ASN 523.A ND2 LEU 490.A O no hydrogen 3.098 N/A ASN 523.A ND2 LEU 520.A O no hydrogen 2.796 N/A ASN 524.A N GLY 546.A O no hydrogen 3.426 N/A ASN 524.A ND2 ASN 524.A O no hydrogen 2.492 N/A ILE 525.A N ASN 547.A OD1 no hydrogen 3.150 N/A TYR 526.A OH ARG 498.A O no hydrogen 2.866 N/A LEU 528.A N TYR 560.A OH no hydrogen 2.983 N/A THR 529.A N HIS 504.A O no hydrogen 3.134 N/A LYS 531.A NZ GLU 535.A OE1 no hydrogen 3.462 N/A LEU 534.A N ILE 563.A O no hydrogen 2.859 N/A SER 536.A N GLY 566.A O no hydrogen 3.085 N/A SER 538.A N SER 536.A OG no hydrogen 3.021 N/A SER 538.A OG PHE 512.A O no hydrogen 3.524 N/A SER 538.A OG LEU 515.A O no hydrogen 2.670 N/A SER 538.A OG SER 536.A OG no hydrogen 3.073 N/A LEU 539.A N SER 536.A OG no hydrogen 2.867 N/A VAL 540.A N LYS 516.A O no hydrogen 2.894 N/A GLU 541.A N LYS 516.A O no hydrogen 3.058 N/A LEU 542.A N ARG 572.A O no hydrogen 2.977 N/A VAL 543.A N LEU 518.A O no hydrogen 3.071 N/A PHE 544.A N ASP 574.A O no hydrogen 2.880 N/A GLY 546.A N SER 576.A O no hydrogen 3.177 N/A ASN 547.A ND2 LEU 520.A O no hydrogen 3.337 N/A ASN 547.A ND2 PHE 544.A O no hydrogen 2.573 N/A ARG 548.A N ILE 525.A O no hydrogen 3.135 N/A ARG 548.A NE ASP 550.A OD1 no hydrogen 2.808 N/A ARG 548.A NH2 ASP 550.A OD2 no hydrogen 3.106 N/A LEU 552.A N ARG 548.A O no hydrogen 3.219 N/A TRP 553.A N LEU 549.A O no hydrogen 2.728 N/A TRP 553.A NE1 TYR 560.A O no hydrogen 2.983 N/A ASN 554.A N ILE 551.A O no hydrogen 3.201 N/A ASP 556.A N ASN 554.A OD1 no hydrogen 2.859 N/A ASP 557.A N ASN 554.A O no hydrogen 2.783 N/A ARG 559.A N ASP 557.A OD1 no hydrogen 2.962 N/A ARG 559.A NE ASP 557.A OD1 no hydrogen 2.866 N/A ARG 559.A NE ASP 557.A OD2 no hydrogen 3.219 N/A ARG 559.A NH2 ASP 557.A OD2 no hydrogen 2.696 N/A ILE 563.A N TYR 560.A O no hydrogen 3.012 N/A LYS 565.A N SER 562.A O no hydrogen 2.781 N/A LEU 567.A N PHE 564.A O no hydrogen 3.161 N/A LYS 568.A N SER 536.A O no hydrogen 2.946 N/A ASN 569.A ND2 SER 538.A O no hydrogen 2.845 N/A THR 571.A N VAL 540.A O no hydrogen 2.782 N/A THR 571.A OG1 VAL 540.A O no hydrogen 3.210 N/A ARG 572.A N VAL 540.A O no hydrogen 3.141 N/A ARG 572.A NE GLU 597.A OE2 no hydrogen 2.809 N/A LEU 573.A N GLU 597.A O no hydrogen 3.013 N/A ASP 574.A N LEU 542.A O no hydrogen 3.013 N/A LEU 575.A N HIS 599.A O no hydrogen 2.715 N/A SER 576.A N ASP 574.A OD1 no hydrogen 2.984 N/A SER 576.A OG ASP 574.A OD1 no hydrogen 2.787 N/A LEU 577.A N ASP 602.A O no hydrogen 3.139 N/A ASN 578.A N ASN 603.A OD1 no hydrogen 2.853 N/A ASN 578.A ND2 PHE 544.A O no hydrogen 3.341 N/A ASN 578.A ND2 LEU 575.A O no hydrogen 3.006 N/A ASN 578.A ND2 SER 576.A O no hydrogen 2.748 N/A LEU 580.A N ASN 603.A OD1 no hydrogen 3.257 N/A GLU 586.A N GLU 586.A OE1 no hydrogen 3.015 N/A PHE 588.A N PRO 584.A O no hydrogen 3.010 N/A LEU 589.A N ASN 585.A O no hydrogen 2.982 N/A ASN 590.A N ALA 587.A O no hydrogen 3.233 N/A ASN 590.A ND2 ILE 561.A O no hydrogen 3.238 N/A LEU 591.A N PHE 588.A O no hydrogen 3.182 N/A SER 594.A OG LYS 568.A O no hydrogen 3.544 N/A SER 594.A OG LEU 570.A O no hydrogen 2.339 N/A LEU 595.A N PRO 592.A O no hydrogen 3.466 N/A GLU 597.A N THR 571.A O no hydrogen 3.070 N/A LEU 598.A N LEU 621.A O no hydrogen 2.948 N/A HIS 599.A N LEU 573.A O no hydrogen 2.876 N/A HIS 599.A ND1 ASP 623.A OD2 no hydrogen 2.787 N/A HIS 599.A NE2 GLU 597.A OE2 no hydrogen 2.512 N/A ILE 600.A N ASP 623.A O no hydrogen 2.782 N/A ASN 601.A ND2 ASP 602.A OD2 no hydrogen 3.127 N/A ASP 602.A N ARG 625.A O no hydrogen 2.751 N/A ASN 603.A ND2 LEU 575.A O no hydrogen 3.206 N/A ASN 603.A ND2 ILE 600.A O no hydrogen 2.536 N/A LEU 605.A N ASN 627.A OD1 no hydrogen 3.173 N/A LYS 606.A N LYS 581.A O no hydrogen 2.843 N/A ASN 609.A ND2 ASN 585.A OD1 no hydrogen 2.928 N/A THR 611.A OG1 ASN 609.A OD1 no hydrogen 2.656 N/A LEU 612.A N ASN 609.A O no hydrogen 3.300 N/A LEU 613.A N TRP 610.A O no hydrogen 3.051 N/A GLN 614.A N THR 611.A O no hydrogen 3.191 N/A GLN 615.A N LEU 612.A O no hydrogen 3.436 N/A PHE 616.A N LEU 613.A O no hydrogen 3.138 N/A LEU 619.A N PHE 616.A O no hydrogen 3.136 N/A GLU 620.A N THR 596.A O no hydrogen 2.533 N/A LEU 621.A N THR 596.A O no hydrogen 2.974 N/A LEU 622.A N THR 645.A O no hydrogen 3.006 N/A ASP 623.A N LEU 598.A O no hydrogen 2.864 N/A LEU 624.A N LEU 647.A O no hydrogen 2.892 N/A ARG 625.A N ASP 623.A OD1 no hydrogen 3.241 N/A ARG 625.A NE ASP 623.A OD1 no hydrogen 2.576 N/A ARG 625.A NE ASP 623.A OD2 no hydrogen 3.210 N/A ARG 625.A NH2 ASP 623.A OD2 no hydrogen 2.433 N/A GLY 626.A N SER 649.A O no hydrogen 2.875 N/A ASN 627.A N HIS 650.A O no hydrogen 3.070 N/A ASN 627.A ND2 ILE 600.A O no hydrogen 3.536 N/A ASN 627.A ND2 LEU 624.A O no hydrogen 2.619 N/A LYS 628.A N LEU 605.A O no hydrogen 2.937 N/A LEU 629.A N ASN 651.A OD1 no hydrogen 3.234 N/A ASP 634.A N ASP 634.A OD1 no hydrogen 2.291 N/A SER 635.A N THR 633.A OG1 no hydrogen 2.639 N/A SER 637.A N GLU 663.A OE1 no hydrogen 3.362 N/A ASP 638.A N SER 635.A O no hydrogen 2.756 N/A PHE 639.A N LEU 636.A O no hydrogen 2.988 N/A THR 640.A N LEU 636.A O no hydrogen 3.256 N/A THR 640.A OG1 SER 642.A OG no hydrogen 3.429 N/A SER 642.A N THR 640.A OG1 no hydrogen 3.116 N/A SER 642.A OG PRO 617.A O no hydrogen 3.324 N/A SER 642.A OG LEU 619.A O no hydrogen 2.571 N/A SER 642.A OG THR 640.A OG1 no hydrogen 3.429 N/A LEU 643.A N THR 640.A OG1 no hydrogen 3.193 N/A ARG 644.A N GLU 620.A O no hydrogen 2.759 N/A THR 645.A N GLU 620.A O no hydrogen 3.116 N/A LEU 646.A N HIS 669.A O no hydrogen 2.901 N/A LEU 647.A N LEU 622.A O no hydrogen 2.976 N/A LEU 648.A N ASP 671.A O no hydrogen 2.826 N/A HIS 650.A N SER 673.A O no hydrogen 3.145 N/A ASN 651.A ND2 LEU 624.A O no hydrogen 3.338 N/A ASN 651.A ND2 LEU 648.A O no hydrogen 2.668 N/A ARG 652.A N LEU 629.A O no hydrogen 3.232 N/A SER 658.A OG SER 683.A O no hydrogen 3.035 N/A GLY 659.A N SER 683.A O no hydrogen 2.392 N/A LEU 661.A N ALA 684.A O no hydrogen 3.481 N/A GLU 663.A N PHE 660.A O no hydrogen 3.173 N/A SER 666.A OG SER 641.A O no hydrogen 2.860 N/A SER 666.A OG LEU 643.A O no hydrogen 2.693 N/A LEU 667.A N VAL 664.A O no hydrogen 3.251 N/A LYS 668.A N ARG 644.A O no hydrogen 2.790 N/A LYS 668.A NZ LYS 692.A O no hydrogen 2.676 N/A HIS 669.A N ARG 644.A O no hydrogen 3.110 N/A HIS 669.A NE2 GLU 697.A OE2 no hydrogen 2.640 N/A LEU 670.A N MET 695.A O no hydrogen 3.031 N/A ASP 671.A N LEU 646.A O no hydrogen 2.975 N/A LEU 672.A N GLU 697.A O no hydrogen 2.912 N/A SER 673.A N ASP 671.A OD1 no hydrogen 3.017 N/A SER 673.A OG ASP 671.A OD1 no hydrogen 2.636 N/A SER 674.A N HIS 699.A O no hydrogen 2.911 N/A ASN 675.A ND2 LEU 648.A O no hydrogen 3.296 N/A ASN 675.A ND2 LEU 672.A O no hydrogen 3.073 N/A ASN 675.A ND2 SER 673.A O no hydrogen 2.710 N/A LEU 677.A N ASN 701.A OD1 no hydrogen 2.808 N/A SER 683.A N ASN 681.A OD1 no hydrogen 3.185 N/A ALA 684.A N ASN 681.A O no hydrogen 3.240 N/A LEU 685.A N LYS 682.A O no hydrogen 3.067 N/A GLU 686.A N SER 683.A O no hydrogen 3.062 N/A SER 694.A N LYS 668.A O no hydrogen 2.946 N/A MET 695.A N LYS 668.A O no hydrogen 3.113 N/A LEU 696.A N LYS 723.A O no hydrogen 2.956 N/A GLU 697.A N LEU 670.A O no hydrogen 3.051 N/A GLY 700.A N ASP 729.A O no hydrogen 3.239 N/A ASN 701.A ND2 LEU 672.A O no hydrogen 2.839 N/A ASN 701.A ND2 LEU 698.A O no hydrogen 3.183 N/A PHE 703.A N ASN 701.A O no hydrogen 3.000 N/A GLU 704.A N LYS 678.A O no hydrogen 2.724 N/A CYS 705.A N SER 734.A O no hydrogen 2.894 N/A THR 706.A OG1 ASP 708.A OD1 no hydrogen 3.251 N/A ILE 709.A N THR 706.A O no hydrogen 3.181 N/A GLY 710.A N CYS 707.A O no hydrogen 2.937 N/A ARG 713.A N ILE 709.A O no hydrogen 3.214 N/A ARG 713.A NH1 ILE 743.A O no hydrogen 2.715 N/A ARG 713.A NH1 LEU 746.A O no hydrogen 3.335 N/A ARG 714.A N GLY 710.A O no hydrogen 3.114 N/A TRP 715.A N ASP 711.A O no hydrogen 3.280 N/A MET 716.A N PHE 712.A O no hydrogen 3.065 N/A ASP 717.A N ARG 713.A O no hydrogen 3.110 N/A GLU 718.A N ARG 714.A O no hydrogen 2.794 N/A HIS 719.A N TRP 715.A O no hydrogen 2.999 N/A HIS 719.A ND1 TRP 715.A O no hydrogen 3.168 N/A LYS 723.A N SER 694.A O no hydrogen 3.019 N/A ARG 726.A NE ASP 729.A OD2 no hydrogen 3.032 N/A ARG 726.A NH2 ASP 729.A OD2 no hydrogen 3.061 N/A ASP 729.A N ARG 726.A O no hydrogen 3.034 N/A VAL 730.A N LEU 727.A O no hydrogen 3.229 N/A CYS 732.A N LYS 741.A O no hydrogen 2.999 N/A CYS 732.A SG LYS 741.A O no hydrogen 3.013 N/A ALA 733.A N PHE 703.A O no hydrogen 2.657 N/A ARG 739.A N GLY 736.A O no hydrogen 3.333 N/A LYS 741.A N GLN 738.A O no hydrogen 3.276 N/A LYS 741.A NZ GLN 738.A OE1 no hydrogen 3.504 N/A SER 742.A OG LEU 727.A O no hydrogen 2.758 N/A ILE 743.A N VAL 730.A O no hydrogen 3.220 N/A VAL 744.A N SER 742.A OG no hydrogen 3.263 N/A SER 745.A N SER 742.A O no hydrogen 2.949 N/A