Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wii_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N HIS 25.A O no hydrogen 2.865 N/A TYR 4.A N SER 625.A OG no hydrogen 3.277 N/A SER 5.A N GLU 23.A O no hydrogen 3.060 N/A SER 5.A OG HIS 25.A NE2 no hydrogen 3.330 N/A ILE 6.A N THR 623.A O no hydrogen 2.796 N/A ILE 7.A N VAL 21.A O no hydrogen 2.978 N/A THR 8.A N THR 621.A O no hydrogen 3.250 N/A THR 8.A OG1 THR 621.A OG1 no hydrogen 2.684 N/A ASN 10.A N GLY 619.A O no hydrogen 2.961 N/A LEU 12.A N LEU 98.A O no hydrogen 2.958 N/A ARG 13.A N GLU 18.A OE2 no hydrogen 3.016 N/A LEU 14.A N SER 100.A O no hydrogen 3.219 N/A GLU 15.A N ILE 68.A O no hydrogen 3.375 N/A SER 16.A OG ARG 13.A O no hydrogen 2.952 N/A SER 16.A OG LEU 14.A O no hydrogen 3.548 N/A GLU 18.A N PHE 66.A O no hydrogen 3.093 N/A MET 20.A N VAL 64.A O no hydrogen 2.766 N/A VAL 21.A N ILE 7.A O no hydrogen 2.987 N/A LEU 22.A N GLY 62.A O no hydrogen 2.687 N/A GLU 23.A N SER 5.A O no hydrogen 3.183 N/A ALA 24.A N HIS 60.A O no hydrogen 3.048 N/A HIS 25.A N MET 3.A O no hydrogen 2.831 N/A HIS 25.A ND1 TYR 465.A OH no hydrogen 2.862 N/A HIS 25.A NE2 TYR 510.A OH no hydrogen 3.116 N/A VAL 31.A N LEU 54.A O no hydrogen 3.222 N/A VAL 33.A N THR 52.A O no hydrogen 2.897 N/A THR 34.A N THR 87.A O no hydrogen 3.171 N/A VAL 35.A N GLU 50.A O no hydrogen 2.825 N/A THR 36.A N GLN 85.A O no hydrogen 2.912 N/A VAL 37.A N SER 48.A O no hydrogen 2.991 N/A HIS 38.A N THR 83.A O no hydrogen 3.186 N/A PHE 40.A N PHE 81.A O no hydrogen 3.046 N/A LYS 43.A N ASP 39.A O no hydrogen 2.998 N/A LEU 45.A N ASP 39.A OD1 no hydrogen 3.145 N/A LEU 47.A N VAL 37.A O no hydrogen 2.790 N/A GLU 50.A N VAL 35.A O no hydrogen 2.822 N/A THR 52.A N VAL 33.A O no hydrogen 2.927 N/A LEU 54.A N VAL 31.A O no hydrogen 3.089 N/A THR 58.A N THR 55.A O no hydrogen 2.807 N/A THR 58.A OG1 THR 55.A O no hydrogen 2.837 N/A THR 58.A OG1 MET 61.A O no hydrogen 3.324 N/A ASN 59.A N PRO 56.A O no hydrogen 3.024 N/A HIS 60.A N THR 55.A O no hydrogen 3.247 N/A HIS 60.A NE2 GLY 29.A O no hydrogen 2.902 N/A MET 61.A N THR 58.A O no hydrogen 3.034 N/A GLY 62.A N LEU 22.A O no hydrogen 2.985 N/A VAL 64.A N MET 20.A O no hydrogen 2.760 N/A PHE 66.A N GLU 18.A O no hydrogen 2.915 N/A PHE 74.A N ASN 71.A O no hydrogen 3.469 N/A LYS 75.A N GLU 73.A O no hydrogen 2.800 N/A ASN 79.A ND2 ALA 634.A O no hydrogen 3.089 N/A VAL 82.A N VAL 97.A O no hydrogen 3.045 N/A THR 83.A N HIS 38.A O no hydrogen 2.749 N/A VAL 84.A N LYS 95.A O no hydrogen 2.752 N/A GLN 85.A N THR 36.A O no hydrogen 2.913 N/A ALA 86.A N VAL 93.A O no hydrogen 2.847 N/A THR 87.A N THR 34.A O no hydrogen 2.862 N/A GLY 89.A N PRO 32.A O no hydrogen 2.848 N/A GLY 89.A N THR 87.A O no hydrogen 3.137 N/A VAL 93.A N ALA 86.A O no hydrogen 2.775 N/A LYS 95.A N VAL 84.A O no hydrogen 2.818 N/A LYS 95.A NZ GLN 629.A OE1 no hydrogen 3.192 N/A LYS 95.A NZ THR 630.A O no hydrogen 2.831 N/A VAL 97.A N VAL 82.A O no hydrogen 2.864 N/A VAL 99.A N LYS 80.A O no hydrogen 3.086 N/A SER 100.A N LEU 12.A O no hydrogen 2.867 N/A GLN 102.A N SER 100.A OG no hydrogen 3.362 N/A GLN 102.A NE2 GLY 104.A O no hydrogen 3.492 N/A SER 103.A OG LEU 101.A O no hydrogen 3.461 N/A SER 103.A OG SER 189.A OG no hydrogen 3.364 N/A TYR 105.A N VAL 128.A O no hydrogen 2.945 N/A PHE 107.A N PHE 126.A O no hydrogen 3.290 N/A GLN 109.A N ARG 124.A O no hydrogen 2.879 N/A THR 110.A OG1 LYS 112.A O no hydrogen 2.930 N/A ASP 111.A N LEU 122.A O no hydrogen 2.881 N/A LYS 112.A N TYR 115.A OH no hydrogen 2.913 N/A LYS 112.A NZ ILE 114.A O no hydrogen 2.633 N/A THR 113.A OG1 ASN 582.A O no hydrogen 2.763 N/A TYR 115.A N GLU 199.A O no hydrogen 2.712 N/A TYR 115.A OH ASP 111.A OD1 no hydrogen 2.560 N/A TYR 115.A OH LYS 112.A O no hydrogen 2.917 N/A SER 119.A N THR 116.A O no hydrogen 3.099 N/A SER 119.A OG THR 116.A O no hydrogen 2.654 N/A THR 120.A OG1 ASP 170.A OD1 no hydrogen 3.005 N/A VAL 121.A N TRP 169.A O no hydrogen 2.774 N/A LEU 122.A N ASP 111.A OD1 no hydrogen 3.186 N/A TYR 123.A N LEU 167.A O no hydrogen 3.165 N/A ARG 124.A N GLN 109.A O no hydrogen 2.762 N/A ARG 124.A NE GLN 109.A OE1 no hydrogen 3.225 N/A ARG 124.A NH2 GLN 109.A OE1 no hydrogen 3.514 N/A ARG 124.A NH2 LEU 571.A O no hydrogen 3.021 N/A ILE 125.A N LEU 165.A O no hydrogen 2.849 N/A PHE 126.A N PHE 107.A O no hydrogen 2.931 N/A THR 127.A N GLY 163.A O no hydrogen 2.888 N/A THR 127.A OG1 VAL 135.A O no hydrogen 2.720 N/A THR 127.A OG1 SER 158.A OG no hydrogen 3.033 N/A VAL 128.A N TYR 105.A O no hydrogen 3.343 N/A ASN 129.A N LEU 133.A O no hydrogen 2.856 N/A LYS 131.A N ASN 129.A OD1 no hydrogen 2.909 N/A LEU 132.A N ASN 129.A O no hydrogen 2.836 N/A LEU 133.A N ASN 129.A OD1 no hydrogen 2.829 N/A VAL 135.A N THR 127.A O no hydrogen 3.093 N/A ARG 137.A N SER 158.A OG no hydrogen 2.941 N/A VAL 139.A N LEU 156.A O no hydrogen 2.711 N/A MET 140.A N TYR 185.A O no hydrogen 2.864 N/A VAL 141.A N ASP 154.A O no hydrogen 2.917 N/A ASN 142.A N ARG 183.A O no hydrogen 2.838 N/A ILE 143.A N LYS 152.A O no hydrogen 2.966 N/A GLU 144.A N LYS 181.A O no hydrogen 2.916 N/A ASN 145.A N ILE 149.A O no hydrogen 3.013 N/A GLY 148.A N ASN 145.A O no hydrogen 2.763 N/A GLY 148.A N ASN 145.A OD1 no hydrogen 2.969 N/A ILE 149.A N ASN 145.A OD1 no hydrogen 2.757 N/A VAL 151.A N ILE 143.A O no hydrogen 2.730 N/A ASP 154.A N VAL 141.A O no hydrogen 3.048 N/A LEU 156.A N VAL 139.A O no hydrogen 3.010 N/A SER 158.A N ARG 137.A O no hydrogen 3.041 N/A SER 158.A OG THR 127.A OG1 no hydrogen 3.033 N/A SER 158.A OG VAL 135.A O no hydrogen 3.184 N/A SER 158.A OG ARG 137.A O no hydrogen 3.199 N/A GLN 159.A N SER 157.A OG no hydrogen 3.282 N/A GLN 161.A N SER 158.A O no hydrogen 3.096 N/A VAL 164.A N GLN 161.A O no hydrogen 2.967 N/A LEU 165.A N ILE 125.A O no hydrogen 2.896 N/A LEU 167.A N TYR 123.A O no hydrogen 2.784 N/A TRP 169.A N VAL 121.A O no hydrogen 2.946 N/A ILE 171.A N SER 119.A O no hydrogen 3.052 N/A GLY 178.A N VAL 200.A O no hydrogen 3.128 N/A GLN 179.A NE2 GLU 197.A OE1 no hydrogen 3.435 N/A TRP 180.A N PHE 198.A O no hydrogen 2.843 N/A TRP 180.A NE1 ASN 176.A O no hydrogen 2.926 N/A LYS 181.A N GLU 144.A O no hydrogen 2.806 N/A ILE 182.A N THR 196.A O no hydrogen 2.832 N/A ARG 183.A N ASN 142.A O no hydrogen 2.957 N/A ARG 183.A NE GLU 144.A OE1 no hydrogen 3.107 N/A ARG 183.A NH1 SER 195.A OG no hydrogen 2.850 N/A ARG 183.A NH2 GLU 144.A OE2 no hydrogen 2.972 N/A ALA 184.A N PHE 194.A O no hydrogen 2.798 N/A TYR 185.A N MET 140.A O no hydrogen 3.182 N/A TYR 186.A OH TYR 105.A O no hydrogen 3.271 N/A TYR 186.A OH VAL 128.A O no hydrogen 3.105 N/A GLU 187.A N THR 138.A O no hydrogen 3.023 N/A ASN 188.A ND2 GLU 15.A OE1 no hydrogen 3.038 N/A SER 189.A N TYR 186.A O no hydrogen 3.156 N/A SER 189.A OG SER 103.A OG no hydrogen 3.364 N/A PHE 194.A N ALA 184.A O no hydrogen 2.701 N/A THR 196.A N ILE 182.A O no hydrogen 3.194 N/A THR 196.A OG1 ILE 108.A O no hydrogen 3.279 N/A THR 196.A OG1 SER 195.A O no hydrogen 2.859 N/A PHE 198.A N TRP 180.A O no hydrogen 2.867 N/A GLU 199.A N THR 113.A O no hydrogen 3.007 N/A VAL 200.A N GLY 178.A O no hydrogen 2.879 N/A LYS 201.A N TYR 115.A O no hydrogen 2.810 N/A TYR 203.A OH ILE 114.A O no hydrogen 2.766 N/A SER 207.A OG ASP 313.A OD2 no hydrogen 3.031 N/A GLU 209.A N ARG 234.A O no hydrogen 3.059 N/A ILE 211.A N THR 232.A O no hydrogen 2.770 N/A GLU 213.A N THR 230.A O no hydrogen 3.102 N/A THR 215.A N GLU 228.A O no hydrogen 2.930 N/A TYR 219.A N PRO 323.A O no hydrogen 3.132 N/A TYR 219.A OH ASN 223.A O no hydrogen 3.187 N/A ILE 221.A N VAL 325.A O no hydrogen 3.248 N/A ASN 223.A N TYR 220.A O no hydrogen 2.908 N/A LYS 225.A N ASN 223.A OD1 no hydrogen 2.989 N/A GLY 226.A N ASN 223.A O no hydrogen 3.163 N/A LEU 227.A N LEU 278.A O no hydrogen 3.016 N/A VAL 229.A N VAL 276.A O no hydrogen 2.895 N/A THR 230.A N GLU 213.A O no hydrogen 2.895 N/A ILE 231.A N GLY 274.A O no hydrogen 2.723 N/A THR 232.A N ILE 211.A O no hydrogen 2.938 N/A ALA 233.A N GLY 272.A O no hydrogen 3.359 N/A ARG 234.A N GLU 209.A O no hydrogen 3.262 N/A ARG 234.A NE GLU 209.A OE2 no hydrogen 2.966 N/A ARG 234.A NH2 GLU 209.A OE2 no hydrogen 3.322 N/A PHE 235.A N LYS 239.A O no hydrogen 2.770 N/A GLY 238.A N PHE 235.A O no hydrogen 2.955 N/A VAL 241.A N ALA 233.A O no hydrogen 3.037 N/A THR 244.A N ILE 307.A O no hydrogen 2.909 N/A ALA 245.A N ILE 267.A O no hydrogen 2.958 N/A PHE 246.A N THR 305.A O no hydrogen 2.706 N/A VAL 247.A N LYS 265.A O no hydrogen 3.055 N/A ILE 248.A N SER 303.A O no hydrogen 2.834 N/A PHE 249.A N SER 263.A OG no hydrogen 3.116 N/A GLY 250.A N TYR 301.A O no hydrogen 3.121 N/A ILE 251.A N ILE 258.A O no hydrogen 2.777 N/A GLN 252.A N SER 299.A O no hydrogen 2.851 N/A GLN 252.A NE2 GLY 254.A O no hydrogen 2.873 N/A ASP 253.A N GLN 256.A O no hydrogen 2.852 N/A GLN 256.A N ASP 253.A O no hydrogen 3.041 N/A ARG 257.A NE GLN 252.A OE1 no hydrogen 2.812 N/A ARG 257.A NH1 GLU 318.A OE2 no hydrogen 3.397 N/A ARG 257.A NH2 GLN 252.A OE1 no hydrogen 3.324 N/A ARG 257.A NH2 GLU 318.A OE2 no hydrogen 2.954 N/A ILE 258.A N ILE 251.A O no hydrogen 2.708 N/A LEU 260.A N PHE 249.A O no hydrogen 3.008 N/A SER 263.A N LEU 260.A O no hydrogen 2.957 N/A SER 263.A OG LEU 260.A O no hydrogen 2.668 N/A LEU 264.A N PRO 261.A O no hydrogen 3.188 N/A LYS 265.A N VAL 247.A O no hydrogen 2.925 N/A ILE 267.A N ALA 245.A O no hydrogen 3.162 N/A ILE 269.A N GLY 243.A O no hydrogen 2.907 N/A GLU 270.A N SER 273.A O no hydrogen 2.863 N/A ASP 271.A N GLU 242.A OE2 no hydrogen 2.809 N/A VAL 276.A N VAL 229.A O no hydrogen 2.981 N/A LEU 278.A N LEU 227.A O no hydrogen 2.794 N/A ARG 280.A NE ILE 221.A O no hydrogen 2.710 N/A ARG 280.A NH2 ILE 221.A O no hydrogen 3.257 N/A VAL 282.A N SER 279.A OG no hydrogen 3.138 N/A LEU 283.A N SER 279.A O no hydrogen 3.037 N/A LEU 284.A N ARG 280.A O no hydrogen 2.954 N/A ASP 285.A N LYS 281.A O no hydrogen 3.009 N/A GLY 286.A N VAL 282.A O no hydrogen 2.845 N/A ASN 289.A ND2 ASP 294.A OD2 no hydrogen 2.733 N/A ARG 291.A N ASN 289.A OD1 no hydrogen 2.909 N/A ARG 291.A NE ASP 294.A OD2 no hydrogen 3.549 N/A LEU 295.A N ALA 292.A O no hydrogen 3.193 N/A VAL 296.A N GLU 293.A O no hydrogen 3.002 N/A GLY 297.A N ILE 324.A O no hydrogen 3.297 N/A LYS 298.A N LEU 295.A O no hydrogen 3.033 N/A LYS 298.A NZ ASP 294.A O no hydrogen 2.735 N/A SER 299.A N GLN 252.A O no hydrogen 3.219 N/A LEU 300.A N ILE 322.A O no hydrogen 2.761 N/A TYR 301.A N GLY 250.A O no hydrogen 2.970 N/A VAL 302.A N ARG 319.A O no hydrogen 2.898 N/A SER 303.A N ILE 248.A O no hydrogen 2.876 N/A ALA 304.A N ALA 317.A O no hydrogen 2.988 N/A THR 305.A N PHE 246.A O no hydrogen 2.799 N/A VAL 306.A N VAL 315.A O no hydrogen 3.152 N/A ILE 307.A N THR 244.A O no hydrogen 2.826 N/A LEU 308.A N ASP 313.A O no hydrogen 3.289 N/A GLY 311.A N LEU 308.A O no hydrogen 3.104 N/A SER 312.A N SER 310.A OG no hydrogen 3.305 N/A VAL 315.A N VAL 306.A O no hydrogen 3.114 N/A ALA 317.A N ALA 304.A O no hydrogen 2.987 N/A ARG 319.A N VAL 302.A O no hydrogen 3.114 N/A SER 320.A OG GLU 318.A OE2 no hydrogen 3.512 N/A ILE 322.A N LEU 300.A O no hydrogen 3.168 N/A ILE 324.A N LYS 298.A O no hydrogen 2.902 N/A VAL 325.A N TYR 219.A O no hydrogen 3.191 N/A SER 327.A OG TYR 329.A O no hydrogen 3.251 N/A SER 327.A OG GLU 411.A O no hydrogen 2.725 N/A TYR 329.A N SER 327.A OG no hydrogen 3.269 N/A HIS 332.A N PHE 351.A O no hydrogen 2.780 N/A HIS 332.A NE2 THR 353.A OG1 no hydrogen 2.916 N/A THR 336.A N PHE 333.A O no hydrogen 3.017 N/A THR 336.A OG1 MET 349.A O no hydrogen 2.951 N/A LYS 338.A NZ PHE 333.A O no hydrogen 3.007 N/A LYS 338.A NZ THR 336.A O no hydrogen 2.792 N/A PHE 340.A N LEU 420.A O no hydrogen 3.041 N/A LYS 341.A NZ HIS 433.A ND1 no hydrogen 3.053 N/A LYS 341.A NZ ASP 525.A OD1 no hydrogen 3.206 N/A LYS 341.A NZ ASP 525.A OD2 no hydrogen 3.014 N/A MET 344.A N LYS 341.A O no hydrogen 2.857 N/A PHE 346.A N ILE 387.A O no hydrogen 2.865 N/A LEU 348.A N LEU 385.A O no hydrogen 2.793 N/A MET 349.A N THR 336.A OG1 no hydrogen 2.827 N/A VAL 350.A N ALA 383.A O no hydrogen 2.926 N/A PHE 351.A N HIS 332.A O no hydrogen 2.982 N/A VAL 352.A N GLY 381.A O no hydrogen 2.859 N/A THR 353.A N GLN 330.A O no hydrogen 2.920 N/A THR 353.A OG1 HIS 332.A NE2 no hydrogen 2.916 N/A ASN 354.A N SER 358.A O no hydrogen 2.702 N/A ASN 354.A ND2 SER 358.A OG no hydrogen 3.018 N/A GLY 357.A N ASN 354.A O no hydrogen 2.825 N/A SER 358.A N ASP 356.A OD1 no hydrogen 2.866 N/A SER 358.A OG ASP 356.A OD1 no hydrogen 2.749 N/A SER 358.A OG ASP 356.A OD2 no hydrogen 3.066 N/A ALA 360.A N VAL 352.A O no hydrogen 3.094 N/A ARG 362.A N THR 377.A O no hydrogen 3.220 N/A VAL 363.A N THR 377.A OG1 no hydrogen 2.772 N/A VAL 365.A N SER 375.A O no hydrogen 2.908 N/A ALA 366.A N ARG 401.A O no hydrogen 2.932 N/A GLN 368.A N THR 399.A O no hydrogen 3.032 N/A GLU 370.A N VAL 367.A O no hydrogen 2.971 N/A THR 372.A OG1 GLU 370.A OE1 no hydrogen 3.100 N/A VAL 373.A N GLU 370.A O no hydrogen 3.029 N/A GLN 374.A N THR 372.A O no hydrogen 2.971 N/A SER 375.A N VAL 365.A O no hydrogen 2.878 N/A SER 375.A OG LYS 384.A O no hydrogen 3.367 N/A THR 377.A N VAL 363.A O no hydrogen 3.311 N/A THR 377.A OG1 ALA 360.A O no hydrogen 2.956 N/A GLN 378.A N VAL 382.A O no hydrogen 2.942 N/A GLY 381.A N GLN 378.A O no hydrogen 2.984 N/A VAL 382.A N ASP 380.A OD1 no hydrogen 2.972 N/A ALA 383.A N VAL 350.A O no hydrogen 2.978 N/A LYS 384.A NZ ASP 347.A OD2 no hydrogen 3.457 N/A LYS 384.A NZ VAL 436.A O no hydrogen 2.878 N/A LEU 385.A N LEU 348.A O no hydrogen 2.968 N/A SER 386.A OG ASP 347.A OD1 no hydrogen 2.939 N/A ILE 387.A N PHE 346.A O no hydrogen 3.085 N/A THR 389.A OG1 MET 344.A O no hydrogen 3.307 N/A SER 392.A OG HIS 390.A O no hydrogen 3.104 N/A LEU 396.A N ALA 419.A O no hydrogen 2.848 N/A ILE 398.A N MET 417.A O no hydrogen 3.000 N/A THR 399.A OG1 THR 416.A OG1 no hydrogen 2.917 N/A VAL 400.A N ARG 415.A O no hydrogen 2.884 N/A ARG 401.A N ALA 366.A O no hydrogen 2.923 N/A ARG 401.A NH2 GLU 409.A O no hydrogen 3.180 N/A ARG 401.A NH2 GLU 409.A OE1 no hydrogen 2.808 N/A THR 402.A N ALA 413.A O no hydrogen 3.013 N/A THR 402.A OG1 GLN 412.A OE1 no hydrogen 2.874 N/A THR 402.A OG1 ALA 413.A O no hydrogen 3.564 N/A LYS 403.A N PRO 364.A O no hydrogen 2.819 N/A LYS 403.A NZ ASP 371.A OD1 no hydrogen 3.353 N/A LYS 404.A NZ TYR 329.A OH no hydrogen 2.896 N/A LYS 404.A NZ GLU 406.A OE2 no hydrogen 3.161 N/A LEU 407.A N LYS 404.A O no hydrogen 3.310 N/A SER 408.A OG GLU 411.A OE2 no hydrogen 3.158 N/A GLU 411.A N SER 408.A O no hydrogen 2.867 N/A GLN 412.A N GLU 409.A O no hydrogen 3.390 N/A GLN 412.A NE2 LYS 404.A O no hydrogen 2.987 N/A GLN 412.A NE2 LEU 407.A O no hydrogen 3.314 N/A ALA 413.A N THR 402.A OG1 no hydrogen 2.850 N/A ARG 415.A N VAL 400.A O no hydrogen 3.087 N/A ARG 415.A NE ILE 331.A O no hydrogen 3.203 N/A THR 416.A OG1 THR 399.A OG1 no hydrogen 2.917 N/A MET 417.A N ILE 398.A O no hydrogen 2.882 N/A ALA 419.A N LEU 396.A O no hydrogen 2.766 N/A LEU 420.A N LYS 338.A O no hydrogen 3.022 N/A TYR 422.A N PHE 340.A O no hydrogen 2.929 N/A SER 423.A N LYS 609.A O no hydrogen 2.727 N/A THR 424.A OG1 SER 428.A OG no hydrogen 2.913 N/A ASN 427.A N THR 424.A O no hydrogen 3.297 N/A SER 428.A OG THR 424.A OG1 no hydrogen 2.913 N/A SER 428.A OG VAL 425.A O no hydrogen 3.506 N/A SER 428.A OG GLU 521.A OE1 no hydrogen 3.432 N/A SER 428.A OG GLU 521.A OE2 no hydrogen 2.587 N/A TYR 431.A N ARG 454.A O no hydrogen 2.827 N/A HIS 433.A N LEU 452.A O no hydrogen 2.889 N/A HIS 433.A NE2 ASP 347.A OD2 no hydrogen 3.065 N/A LEU 434.A N ASP 525.A OD2 no hydrogen 2.812 N/A SER 435.A N ASN 450.A O no hydrogen 3.191 N/A ARG 438.A NH2 ASP 380.A OD1 no hydrogen 3.316 N/A ARG 438.A NH2 ASP 380.A OD2 no hydrogen 2.811 N/A GLY 444.A N ILE 497.A O no hydrogen 2.716 N/A GLU 445.A N ARG 442.A O no hydrogen 3.060 N/A LEU 447.A N LEU 495.A O no hydrogen 2.804 N/A VAL 449.A N LEU 493.A O no hydrogen 2.954 N/A ASN 450.A N SER 435.A O no hydrogen 3.090 N/A ASN 450.A ND2 SER 435.A OG no hydrogen 3.253 N/A PHE 451.A N VAL 491.A O no hydrogen 2.944 N/A LEU 452.A N HIS 433.A O no hydrogen 2.827 N/A LEU 453.A N ASP 489.A O no hydrogen 3.133 N/A ARG 454.A N TYR 431.A O no hydrogen 3.168 N/A HIS 459.A N ASP 456.A O no hydrogen 3.291 N/A HIS 459.A ND1 ASP 456.A OD1 no hydrogen 3.123 N/A LYS 462.A N HIS 459.A O no hydrogen 3.093 N/A LYS 462.A NZ ASP 26.A OD2 no hydrogen 3.350 N/A TYR 465.A OH HIS 25.A ND1 no hydrogen 2.862 N/A TYR 466.A N GLN 482.A O no hydrogen 2.769 N/A THR 467.A N TYR 510.A O no hydrogen 2.920 N/A THR 467.A OG1 GLU 23.A OE2 no hydrogen 3.022 N/A TYR 468.A N GLY 480.A O no hydrogen 3.292 N/A LEU 469.A N VAL 508.A O no hydrogen 2.790 N/A ILE 470.A N LYS 478.A O no hydrogen 2.801 N/A MET 471.A N ARG 506.A O no hydrogen 2.813 N/A ASN 472.A N ARG 475.A O no hydrogen 2.859 N/A ASN 472.A ND2 ILE 502.A O no hydrogen 3.340 N/A ASN 472.A ND2 SER 504.A O no hydrogen 2.788 N/A LYS 473.A NZ ASN 472.A OD1 no hydrogen 2.894 N/A LYS 473.A NZ ASP 500.A O no hydrogen 3.229 N/A LYS 473.A NZ ILE 502.A O no hydrogen 3.024 N/A ARG 475.A N ASN 472.A O no hydrogen 2.840 N/A ARG 475.A NH1 ASN 472.A O no hydrogen 2.806 N/A ARG 475.A NH1 ASN 472.A OD1 no hydrogen 2.716 N/A LEU 477.A N ILE 470.A O no hydrogen 2.778 N/A GLY 480.A N TYR 468.A O no hydrogen 3.162 N/A ARG 481.A NE GLU 23.A OE2 no hydrogen 3.276 N/A ARG 481.A NH1 ASN 59.A O no hydrogen 3.400 N/A GLN 482.A N TYR 466.A O no hydrogen 2.819 N/A GLN 482.A NE2 VAL 483.A O no hydrogen 3.331 N/A ARG 484.A N ARG 464.A O no hydrogen 2.994 N/A ARG 484.A NE GLN 488.A O no hydrogen 2.968 N/A ARG 484.A NH1 GLU 460.A O no hydrogen 2.676 N/A ARG 484.A NH1 ILE 463.A O no hydrogen 3.282 N/A ARG 484.A NH2 GLU 460.A OE1 no hydrogen 3.167 N/A ARG 484.A NH2 GLN 488.A O no hydrogen 3.210 N/A GLU 485.A N GLN 488.A OE1 no hydrogen 2.885 N/A GLY 487.A N GLU 460.A OE1 no hydrogen 3.264 N/A GLN 488.A N GLU 485.A O no hydrogen 3.079 N/A VAL 491.A N PHE 451.A O no hydrogen 3.302 N/A LEU 493.A N VAL 449.A O no hydrogen 2.824 N/A LEU 495.A N LEU 447.A O no hydrogen 2.919 N/A ILE 497.A N GLU 445.A O no hydrogen 3.152 N/A PHE 501.A N THR 498.A O no hydrogen 2.931 N/A ILE 502.A N THR 499.A O no hydrogen 3.257 N/A SER 504.A OG GLU 597.A OE1 no hydrogen 2.881 N/A SER 504.A OG GLU 597.A OE2 no hydrogen 3.105 N/A PHE 505.A N VAL 529.A O no hydrogen 3.010 N/A ARG 506.A N MET 471.A O no hydrogen 2.901 N/A ARG 506.A NE THR 604.A O no hydrogen 2.853 N/A ARG 506.A NH1 ASP 600.A OD1 no hydrogen 3.342 N/A ARG 506.A NH1 ASP 600.A OD2 no hydrogen 2.618 N/A ARG 506.A NH2 ASP 600.A OD2 no hydrogen 3.306 N/A ARG 506.A NH2 THR 604.A O no hydrogen 3.008 N/A LEU 507.A N VAL 527.A O no hydrogen 2.904 N/A VAL 508.A N LEU 469.A O no hydrogen 2.995 N/A ALA 509.A N ASP 525.A O no hydrogen 2.880 N/A TYR 510.A N THR 467.A O no hydrogen 2.864 N/A TYR 510.A OH HIS 25.A NE2 no hydrogen 3.116 N/A TYR 511.A N VAL 523.A O no hydrogen 2.956 N/A TYR 511.A OH TYR 431.A O no hydrogen 3.180 N/A THR 512.A OG1 GLU 521.A O no hydrogen 2.912 N/A LEU 513.A N GLU 521.A O no hydrogen 3.159 N/A GLY 515.A N GLN 519.A O no hydrogen 3.329 N/A ALA 516.A N HIS 459.A NE2 no hydrogen 3.367 N/A GLN 519.A N GLY 515.A O no hydrogen 3.120 N/A GLN 519.A NE2 VAL 425.A O no hydrogen 3.353 N/A ARG 520.A NH1 THR 512.A OG1 no hydrogen 2.854 N/A GLU 521.A N LEU 513.A O no hydrogen 2.875 N/A VAL 523.A N TYR 511.A O no hydrogen 3.031 N/A ALA 524.A N TYR 422.A OH no hydrogen 3.454 N/A ASP 525.A N ALA 509.A O no hydrogen 2.890 N/A VAL 527.A N LEU 507.A O no hydrogen 3.039 N/A VAL 529.A N PHE 505.A O no hydrogen 2.840 N/A VAL 531.A N PRO 503.A O no hydrogen 2.922 N/A LYS 532.A N LEU 441.A O no hydrogen 2.825 N/A SER 538.A N ASP 564.A OD1 no hydrogen 3.354 N/A VAL 540.A N GLU 562.A O no hydrogen 3.028 N/A LYS 542.A N LYS 560.A O no hydrogen 3.162 N/A GLY 544.A N THR 558.A O no hydrogen 2.800 N/A ARG 549.A N SER 546.A O no hydrogen 3.338 N/A VAL 552.A N GLN 555.A OE1 no hydrogen 2.986 N/A GLN 555.A N VAL 552.A O no hydrogen 2.789 N/A LYS 560.A N LYS 542.A O no hydrogen 2.803 N/A GLU 562.A N VAL 540.A O no hydrogen 3.252 N/A ALA 567.A N ASP 564.A O no hydrogen 3.302 N/A GLY 577.A N ASP 575.A OD1 no hydrogen 2.929 N/A VAL 578.A N ASP 575.A O no hydrogen 2.762 N/A VAL 580.A N LYS 576.A O no hydrogen 3.231 N/A VAL 580.A N GLY 577.A O no hydrogen 3.136 N/A LEU 581.A N VAL 578.A O no hydrogen 3.187 N/A ASN 582.A N VAL 578.A O no hydrogen 2.999 N/A ASN 582.A ND2 GLU 199.A OE1 no hydrogen 3.050 N/A LYS 584.A N ASN 582.A OD1 no hydrogen 2.733 N/A LYS 591.A N THR 588.A O no hydrogen 2.971 N/A LYS 591.A N THR 588.A OG1 no hydrogen 3.345 N/A ILE 592.A N THR 588.A O no hydrogen 3.330 N/A TRP 593.A N GLN 589.A O no hydrogen 3.277 N/A TRP 593.A NE1 SER 534.A O no hydrogen 3.029 N/A ASP 594.A N SER 590.A O no hydrogen 2.975 N/A VAL 595.A N LYS 591.A O no hydrogen 3.173 N/A VAL 596.A N ILE 592.A O no hydrogen 3.198 N/A GLU 597.A N TRP 593.A O no hydrogen 2.878 N/A LYS 598.A N ASP 594.A O no hydrogen 2.994 N/A ALA 599.A N VAL 595.A O no hydrogen 3.219 N/A ASP 600.A N GLU 597.A O no hydrogen 3.270 N/A GLY 602.A N ASP 600.A OD1 no hydrogen 3.038 N/A CYS 603.A N ASP 617.A O no hydrogen 2.954 N/A CYS 603.A SG ILE 601.A O no hydrogen 3.522 N/A SER 607.A N SER 526.A O no hydrogen 3.072 N/A SER 607.A N SER 526.A OG no hydrogen 2.885 N/A GLY 608.A N SER 607.A OG no hydrogen 2.683 N/A GLY 613.A N ASP 610.A OD1 no hydrogen 2.771 N/A VAL 614.A N ASP 610.A O no hydrogen 2.820 N/A PHE 615.A N TYR 611.A O no hydrogen 3.303 N/A SER 616.A N ALA 612.A O no hydrogen 3.162 N/A SER 616.A OG ALA 612.A O no hydrogen 3.290 N/A ASP 617.A N GLY 613.A O no hydrogen 2.873 N/A ALA 618.A N PHE 615.A O no hydrogen 3.200 N/A GLY 619.A N SER 616.A O no hydrogen 3.001 N/A LEU 620.A N PHE 615.A O no hydrogen 2.757 N/A THR 621.A N THR 8.A O no hydrogen 2.583 N/A THR 621.A OG1 THR 8.A O no hydrogen 3.181 N/A THR 621.A OG1 THR 8.A OG1 no hydrogen 2.684 N/A PHE 622.A N THR 630.A OG1 no hydrogen 3.220 N/A THR 623.A N ILE 6.A O no hydrogen 3.129 N/A SER 624.A N GLN 628.A O no hydrogen 2.853 N/A SER 624.A OG SER 626.A OG no hydrogen 3.254 N/A SER 624.A OG GLN 628.A O no hydrogen 2.906 N/A SER 624.A OG GLN 628.A OE1 no hydrogen 3.025 N/A SER 625.A N TYR 4.A O no hydrogen 2.889 N/A SER 626.A OG SER 624.A OG no hydrogen 3.254 N/A SER 626.A OG GLN 628.A OE1 no hydrogen 2.439 N/A THR 630.A N PHE 622.A O no hydrogen 2.838 N/A ARG 633.A NE GLU 635.A O no hydrogen 2.877 N/A ARG 633.A NH1 ILE 601.A O no hydrogen 3.372 N/A ARG 633.A NH2 GLU 635.A O no hydrogen 3.518 N/A CYS 638.A SG ILE 601.A O no hydrogen 3.848 N/A CYS 638.A SG GLY 602.A O no hydrogen 3.577 N/A