Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5uk8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PRO 1.A N GLU 75.A O no hydrogen 3.042 N/A PRO 1.A N GLU 126.A OE2 no hydrogen 2.761 N/A ARG 3.A NE GLN 74.A OE1 no hydrogen 3.528 N/A ARG 3.A NH2 GLY 7.A O no hydrogen 2.789 N/A ARG 3.A NH2 GLN 74.A OE1 no hydrogen 3.466 N/A SER 6.A OG GLU 669.A OE1 no hydrogen 2.794 N/A GLY 7.A N SER 5.A OG no hydrogen 3.026 N/A GLU 8.A N HIS 13.A O no hydrogen 2.989 N/A LEU 9.A N ILE 12.A O no hydrogen 3.247 N/A TRP 10.A N PHE 94.A O no hydrogen 3.078 N/A HIS 13.A ND1 GLU 681.A OE1 no hydrogen 2.910 N/A MET 15.A N GLU 8.A OE1 no hydrogen 2.936 N/A ARG 18.A NH1 GLU 34.A O no hydrogen 3.568 N/A ILE 19.A N CYS 35.A O no hydrogen 2.773 N/A VAL 21.A N LEU 33.A O no hydrogen 2.733 N/A GLU 22.A N PRO 96.A O no hydrogen 3.140 N/A CYS 23.A N VAL 31.A O no hydrogen 2.779 N/A CYS 23.A SG VAL 21.A O no hydrogen 3.926 N/A LEU 24.A N LEU 98.A O no hydrogen 2.972 N/A LEU 25.A N MET 29.A O no hydrogen 2.800 N/A ASN 27.A ND2 LEU 57.A O no hydrogen 2.911 N/A GLY 28.A N LEU 25.A O no hydrogen 3.238 N/A MET 29.A N ASN 27.A OD1 no hydrogen 3.003 N/A VAL 31.A N CYS 23.A O no hydrogen 2.984 N/A THR 32.A OG1 GLU 22.A OE2 no hydrogen 2.658 N/A LEU 33.A N VAL 21.A O no hydrogen 2.993 N/A CYS 35.A N ILE 19.A O no hydrogen 2.745 N/A CYS 35.A SG LEU 33.A O no hydrogen 4.033 N/A ARG 37.A N PRO 17.A O no hydrogen 2.937 N/A ARG 37.A NE GLU 8.A OE1 no hydrogen 3.195 N/A ARG 37.A NH1 GLU 38.A OE1 no hydrogen 3.325 N/A ARG 37.A NH1 ASP 702.A OD1 no hydrogen 2.904 N/A ARG 37.A NH2 GLU 8.A OE1 no hydrogen 3.089 N/A ARG 37.A NH2 GLU 8.A OE2 no hydrogen 2.696 N/A ARG 37.A NH2 ASP 702.A OD2 no hydrogen 3.202 N/A ALA 39.A N LEU 36.A O no hydrogen 3.147 N/A THR 40.A OG1 THR 43.A OG1 no hydrogen 3.377 N/A LEU 41.A N ARG 86.A O no hydrogen 3.024 N/A ILE 42.A N GLU 84.A O no hydrogen 2.954 N/A THR 43.A OG1 THR 40.A OG1 no hydrogen 3.377 N/A ILE 44.A N THR 40.A O no hydrogen 3.122 N/A LYS 45.A N LEU 41.A O no hydrogen 2.949 N/A LYS 45.A NZ GLU 64.A O no hydrogen 2.959 N/A LYS 45.A NZ TYR 67.A O no hydrogen 2.671 N/A LYS 45.A NZ GLU 84.A OE1 no hydrogen 2.781 N/A LYS 45.A NZ GLU 84.A OE2 no hydrogen 3.143 N/A HIS 46.A N ILE 42.A O no hydrogen 3.239 N/A HIS 46.A ND1 GLU 64.A OE2 no hydrogen 2.814 N/A GLU 47.A N THR 43.A O no hydrogen 2.959 N/A LEU 48.A N ILE 44.A O no hydrogen 2.828 N/A PHE 49.A N LYS 45.A O no hydrogen 3.110 N/A LYS 50.A N HIS 46.A O no hydrogen 3.190 N/A LYS 50.A NZ GLU 47.A OE2 no hydrogen 3.341 N/A GLU 51.A N GLU 47.A O no hydrogen 3.246 N/A ALA 52.A N LEU 48.A O no hydrogen 2.837 N/A ARG 53.A NE LYS 50.A O no hydrogen 3.139 N/A ARG 53.A NH2 LYS 50.A O no hydrogen 3.538 N/A LYS 54.A N GLU 51.A O no hydrogen 3.011 N/A LYS 54.A NZ GLU 51.A OE1 no hydrogen 3.170 N/A TYR 55.A N ALA 52.A O no hydrogen 3.197 N/A HIS 58.A ND1 TYR 55.A O no hydrogen 3.028 N/A LEU 60.A N LEU 57.A O no hydrogen 3.169 N/A LEU 61.A N HIS 58.A O no hydrogen 3.015 N/A GLN 62.A N TYR 67.A OH no hydrogen 3.189 N/A SER 66.A N ASP 63.A O no hydrogen 3.156 N/A SER 66.A OG ASP 63.A O no hydrogen 2.701 N/A ILE 68.A N ILE 101.A O no hydrogen 2.925 N/A VAL 70.A N LYS 99.A O no hydrogen 2.828 N/A SER 71.A N GLU 79.A O no hydrogen 3.236 N/A SER 71.A OG PHE 97.A O no hydrogen 2.796 N/A THR 73.A N GLU 77.A O no hydrogen 2.758 N/A THR 73.A OG1 GLU 77.A O no hydrogen 3.021 N/A GLN 74.A N ARG 92.A O no hydrogen 2.766 N/A GLN 74.A NE2 GLY 7.A O no hydrogen 2.963 N/A GLN 74.A NE2 LEU 93.A O no hydrogen 3.031 N/A ALA 76.A N THR 73.A O no hydrogen 2.859 N/A GLU 79.A N SER 71.A O no hydrogen 2.895 N/A PHE 81.A N PHE 69.A O no hydrogen 2.782 N/A THR 85.A N ASP 83.A OD1 no hydrogen 3.409 N/A THR 85.A OG1 ASP 83.A OD1 no hydrogen 2.692 N/A ARG 86.A N ASP 83.A O no hydrogen 3.381 N/A ARG 86.A NH1 GLU 79.A OE2 no hydrogen 2.812 N/A ARG 86.A NH2 ASP 90.A O no hydrogen 3.168 N/A ARG 87.A NE ASP 705.A OD2 no hydrogen 3.331 N/A ARG 87.A NH1 GLU 38.A O no hydrogen 2.971 N/A ARG 87.A NH2 ASP 705.A OD2 no hydrogen 3.023 N/A LEU 88.A N ALA 39.A O no hydrogen 2.864 N/A CYS 89.A N ARG 37.A O no hydrogen 2.987 N/A CYS 89.A SG ARG 37.A O no hydrogen 3.318 N/A CYS 89.A SG ASP 90.A OD1 no hydrogen 3.912 N/A ASP 90.A N ARG 87.A O no hydrogen 2.905 N/A LEU 91.A N LEU 88.A O no hydrogen 3.297 N/A PHE 94.A N VAL 72.A O no hydrogen 2.900 N/A GLN 95.A NE2 PHE 94.A O no hydrogen 3.267 N/A PHE 97.A N GLN 95.A O no hydrogen 2.820 N/A LEU 98.A N GLU 22.A O no hydrogen 2.789 N/A LYS 99.A N VAL 70.A O no hydrogen 2.771 N/A VAL 100.A N LEU 24.A O no hydrogen 3.087 N/A ILE 101.A N ILE 68.A O no hydrogen 2.909 N/A LYS 110.A N ASN 106.A O no hydrogen 3.118 N/A LYS 110.A NZ GLU 80.A OE1 no hydrogen 2.947 N/A LYS 110.A NZ VAL 104.A O no hydrogen 2.813 N/A ILE 111.A N ARG 107.A O no hydrogen 3.089 N/A LEU 112.A N GLU 108.A O no hydrogen 3.227 N/A ASN 113.A N GLU 109.A O no hydrogen 2.947 N/A ARG 114.A N LYS 110.A O no hydrogen 3.180 N/A GLU 115.A N ILE 111.A O no hydrogen 3.146 N/A ILE 116.A N LEU 112.A O no hydrogen 2.940 N/A GLY 117.A N ASN 113.A O no hydrogen 2.942 N/A PHE 118.A N ARG 114.A O no hydrogen 2.898 N/A ALA 119.A N GLU 115.A O no hydrogen 3.172 N/A ILE 120.A N ILE 116.A O no hydrogen 3.064 N/A GLY 121.A N PHE 118.A O no hydrogen 3.175 N/A MET 122.A N GLY 117.A O no hydrogen 3.020 N/A GLU 126.A N PRO 123.A O no hydrogen 2.904 N/A PHE 127.A N VAL 124.A O no hydrogen 3.063 N/A VAL 130.A N PHE 127.A O no hydrogen 3.254 N/A GLU 134.A N ASP 132.A OD1 no hydrogen 3.053 N/A GLN 136.A N ASP 132.A O no hydrogen 3.374 N/A GLN 136.A NE2 PHE 127.A O no hydrogen 2.755 N/A GLN 136.A NE2 VAL 130.A O no hydrogen 3.135 N/A ASP 137.A N PRO 133.A O no hydrogen 2.803 N/A PHE 138.A N GLU 134.A O no hydrogen 2.886 N/A ARG 139.A N VAL 135.A O no hydrogen 2.949 N/A ARG 139.A NE GLU 648.A OE1 no hydrogen 2.969 N/A ARG 139.A NH1 ASP 128.A OD1 no hydrogen 3.016 N/A ARG 139.A NH2 GLU 648.A OE1 no hydrogen 3.570 N/A ARG 139.A NH2 GLU 648.A OE2 no hydrogen 2.948 N/A ARG 140.A N GLN 136.A O no hydrogen 3.237 N/A ARG 140.A NE TYR 299.A O no hydrogen 2.926 N/A ARG 140.A NE ARG 302.A O no hydrogen 2.832 N/A ARG 140.A NH2 TYR 299.A O no hydrogen 2.780 N/A ASN 141.A N ASP 137.A O no hydrogen 2.764 N/A ILE 142.A N PHE 138.A O no hydrogen 2.949 N/A LEU 143.A N ARG 140.A O no hydrogen 3.444 N/A ASN 144.A ND2 ASN 141.A O no hydrogen 2.803 N/A VAL 145.A N ILE 142.A O no hydrogen 2.919 N/A CYS 146.A N ILE 142.A O no hydrogen 3.428 N/A CYS 146.A SG ILE 142.A O no hydrogen 3.895 N/A CYS 146.A SG SER 649.A O no hydrogen 3.602 N/A LYS 147.A N LEU 143.A O no hydrogen 2.888 N/A LYS 147.A NZ ASP 151.A OD2 no hydrogen 3.255 N/A GLU 148.A N ASN 144.A O no hydrogen 3.075 N/A ALA 149.A N VAL 145.A O no hydrogen 3.159 N/A VAL 150.A N CYS 146.A O no hydrogen 3.186 N/A ASP 151.A N LYS 147.A O no hydrogen 2.984 N/A LEU 152.A N GLU 148.A O no hydrogen 3.110 N/A ARG 153.A N VAL 150.A O no hydrogen 3.197 N/A ARG 153.A NE LEU 617.A O no hydrogen 3.373 N/A ARG 153.A NH1 ALA 653.A O no hydrogen 3.295 N/A ARG 153.A NH2 LEU 617.A O no hydrogen 2.849 N/A ARG 153.A NH2 ALA 653.A O no hydrogen 2.991 N/A ASP 154.A N ASP 151.A O no hydrogen 3.367 N/A ASN 156.A N SER 160.A OG no hydrogen 3.194 N/A SER 157.A OG ASP 154.A OD1 no hydrogen 2.808 N/A HIS 159.A NE2 LEU 254.A O no hydrogen 3.258 N/A SER 160.A N ASN 156.A O no hydrogen 2.884 N/A SER 160.A OG ARG 153.A O no hydrogen 2.705 N/A ALA 162.A N PRO 158.A O no hydrogen 2.949 N/A MET 163.A N HIS 159.A O no hydrogen 2.917 N/A TYR 164.A N ARG 161.A O no hydrogen 3.294 N/A TYR 164.A OH CYS 654.A O no hydrogen 2.846 N/A VAL 165.A N ARG 161.A O no hydrogen 3.179 N/A TYR 166.A N ALA 162.A O no hydrogen 2.787 N/A GLU 171.A N GLN 261.A O no hydrogen 2.884 N/A SER 172.A OG THR 583.A OG1 no hydrogen 2.649 N/A SER 172.A OG ASP 585.A OD2 no hydrogen 2.699 N/A GLU 175.A N SER 173.A OG no hydrogen 3.309 N/A HIS 179.A NE2 GLN 784.A OE1 no hydrogen 3.052 N/A ILE 180.A N PRO 177.A O no hydrogen 2.952 N/A TYR 181.A N PRO 177.A O no hydrogen 3.034 N/A ASN 182.A N LYS 178.A O no hydrogen 2.872 N/A LYS 183.A N ILE 180.A O no hydrogen 3.122 N/A LYS 183.A NZ MET 270.A O no hydrogen 2.789 N/A LEU 184.A N TYR 181.A O no hydrogen 3.054 N/A GLN 188.A N ASP 185.A O no hydrogen 3.144 N/A GLN 188.A NE2 ASN 211.A OD1 no hydrogen 3.198 N/A ILE 189.A N ILE 210.A O no hydrogen 2.684 N/A VAL 191.A N LEU 208.A O no hydrogen 2.861 N/A VAL 192.A N PRO 275.A O no hydrogen 2.928 N/A ILE 193.A N TYR 206.A O no hydrogen 2.886 N/A TRP 194.A N LEU 277.A O no hydrogen 3.015 N/A TRP 194.A NE1 ASN 276.A OD1 no hydrogen 3.362 N/A VAL 195.A N GLN 204.A O no hydrogen 3.102 N/A VAL 197.A N ASP 202.A O no hydrogen 2.747 N/A ASP 202.A N VAL 197.A O no hydrogen 3.055 N/A LYS 203.A NZ GLU 750.A OE2 no hydrogen 3.209 N/A GLN 204.A N VAL 195.A O no hydrogen 3.134 N/A TYR 206.A N ILE 193.A O no hydrogen 2.882 N/A LEU 208.A N VAL 191.A O no hydrogen 2.750 N/A ILE 210.A N ILE 189.A O no hydrogen 3.012 N/A HIS 212.A N GLY 187.A O no hydrogen 3.226 N/A HIS 212.A ND1 SER 260.A OG no hydrogen 3.190 N/A CYS 214.A N ASN 211.A O no hydrogen 3.131 N/A CYS 214.A SG ASN 211.A O no hydrogen 3.300 N/A VAL 215.A N GLN 218.A OE1 no hydrogen 3.466 N/A GLN 218.A N VAL 215.A O no hydrogen 3.023 N/A VAL 219.A N PRO 216.A O no hydrogen 3.005 N/A ILE 220.A N PRO 216.A O no hydrogen 3.168 N/A ALA 221.A N GLU 217.A O no hydrogen 3.085 N/A GLU 222.A N GLN 218.A O no hydrogen 3.193 N/A ALA 223.A N VAL 219.A O no hydrogen 3.407 N/A ILE 224.A N ILE 220.A O no hydrogen 2.993 N/A ARG 225.A N ALA 221.A O no hydrogen 3.017 N/A LYS 226.A N GLU 222.A O no hydrogen 2.795 N/A LYS 226.A NZ THR 207.A O no hydrogen 3.123 N/A LYS 227.A N ILE 224.A O no hydrogen 2.860 N/A THR 228.A N ILE 224.A O no hydrogen 2.847 N/A THR 228.A OG1 ILE 224.A O no hydrogen 3.224 N/A LYS 241.A N TYR 238.A O no hydrogen 3.065 N/A ILE 243.A N MET 280.A O no hydrogen 2.936 N/A LYS 245.A N MET 278.A O no hydrogen 2.952 N/A LYS 245.A NZ VAL 246.A O no hydrogen 3.081 N/A LYS 245.A NZ CYS 249.A O no hydrogen 2.767 N/A LYS 245.A NZ ASP 746.A OD1 no hydrogen 2.826 N/A LYS 245.A NZ ASP 746.A OD2 no hydrogen 3.340 N/A VAL 246.A N GLU 251.A O no hydrogen 2.979 N/A CYS 247.A N ASN 276.A O no hydrogen 3.294 N/A CYS 247.A SG LEU 277.A O no hydrogen 3.231 N/A GLY 248.A N ASP 746.A OD2 no hydrogen 3.035 N/A ASP 250.A N ALA 717.A O no hydrogen 2.841 N/A PHE 253.A N LEU 244.A O no hydrogen 2.915 N/A GLU 255.A N TYR 262.A OH no hydrogen 3.152 N/A LYS 256.A N GLU 255.A OE1 no hydrogen 2.812 N/A TYR 257.A N GLU 255.A O no hydrogen 2.903 N/A LEU 259.A N CYS 214.A O no hydrogen 2.872 N/A SER 260.A N HIS 212.A O no hydrogen 3.152 N/A SER 260.A OG HIS 212.A ND1 no hydrogen 3.190 N/A GLN 261.A N PRO 258.A O no hydrogen 2.835 N/A GLN 261.A NE2 GLU 171.A O no hydrogen 3.156 N/A TYR 262.A N LEU 259.A O no hydrogen 3.043 N/A TYR 262.A OH GLU 255.A O no hydrogen 2.764 N/A LYS 263.A N ASN 169.A O no hydrogen 2.895 N/A LYS 263.A NZ ASP 585.A OD1 no hydrogen 2.782 N/A TYR 264.A OH ASN 276.A O no hydrogen 3.386 N/A ARG 266.A N TYR 262.A O no hydrogen 2.835 N/A ARG 266.A NE SER 260.A O no hydrogen 2.796 N/A ARG 266.A NH2 SER 173.A O no hydrogen 2.790 N/A SER 267.A N LYS 263.A O no hydrogen 2.922 N/A SER 267.A OG LYS 263.A O no hydrogen 2.708 N/A CYS 268.A N TYR 264.A O no hydrogen 2.959 N/A CYS 268.A SG TYR 264.A O no hydrogen 3.254 N/A ILE 269.A N ILE 265.A O no hydrogen 2.935 N/A MET 270.A N ARG 266.A O no hydrogen 3.291 N/A LEU 271.A N SER 267.A O no hydrogen 2.987 N/A GLY 272.A N ILE 269.A O no hydrogen 3.063 N/A ARG 273.A N CYS 268.A O no hydrogen 2.881 N/A ASN 276.A N TYR 264.A OH no hydrogen 2.803 N/A LEU 277.A N VAL 192.A O no hydrogen 2.937 N/A MET 278.A N LYS 245.A O no hydrogen 2.706 N/A LEU 279.A N TRP 194.A O no hydrogen 2.814 N/A MET 280.A N ILE 243.A O no hydrogen 3.207 N/A LYS 282.A N LYS 241.A O no hydrogen 3.445 N/A LYS 282.A NZ TYR 286.A OH no hydrogen 3.183 N/A SER 284.A OG ALA 281.A O no hydrogen 2.888 N/A LEU 285.A N LYS 282.A O no hydrogen 3.368 N/A TYR 286.A N LYS 282.A O no hydrogen 2.943 N/A SER 287.A N GLU 283.A O no hydrogen 2.891 N/A SER 287.A OG GLU 283.A O no hydrogen 2.734 N/A GLN 288.A N LEU 285.A O no hydrogen 3.143 N/A CYS 293.A SG MET 291.A O no hydrogen 3.799 N/A SER 300.A N PRO 297.A O no hydrogen 2.914 N/A SER 300.A OG PRO 297.A O no hydrogen 2.642 N/A ARG 301.A N SER 298.A O no hydrogen 3.106 N/A ARG 302.A NH2 ASP 128.A OD1 no hydrogen 3.202 N/A SER 304.A OG ASP 137.A OD1 no hydrogen 3.269 N/A LYS 308.A N VAL 466.A O no hydrogen 2.963 N/A LYS 308.A NZ PHE 463.A O no hydrogen 2.782 N/A TRP 311.A N SER 309.A OG no hydrogen 3.314 N/A ILE 313.A N LEU 310.A O no hydrogen 3.272 N/A SER 315.A N ILE 313.A O no hydrogen 3.141 N/A LEU 317.A N ILE 374.A O no hydrogen 2.844 N/A ARG 318.A NE ASP 461.A OD1 no hydrogen 3.256 N/A ARG 318.A NE ASP 461.A OD2 no hydrogen 3.265 N/A ARG 318.A NH2 ASP 461.A OD1 no hydrogen 3.147 N/A ILE 319.A N LEU 370.A O no hydrogen 2.931 N/A LYS 320.A N GLU 459.A O no hydrogen 2.886 N/A LYS 320.A NZ GLU 459.A OE1 no hydrogen 3.459 N/A ILE 321.A N GLU 368.A O no hydrogen 2.843 N/A LEU 322.A N GLU 457.A O no hydrogen 3.073 N/A ALA 324.A N PRO 364.A O no hydrogen 2.997 N/A THR 325.A N CYS 455.A O no hydrogen 2.799 N/A ASP 333.A N ASN 330.A O no hydrogen 3.093 N/A ILE 334.A N ASN 330.A O no hydrogen 3.171 N/A ASP 335.A N VAL 392.A O no hydrogen 3.044 N/A LYS 336.A N VAL 392.A O no hydrogen 3.221 N/A ILE 337.A N VAL 359.A O no hydrogen 2.979 N/A TYR 338.A N CYS 390.A O no hydrogen 2.899 N/A TYR 338.A OH HIS 402.A ND1 no hydrogen 2.814 N/A VAL 339.A N THR 356.A OG1 no hydrogen 2.877 N/A ARG 340.A N SER 388.A O no hydrogen 2.843 N/A THR 341.A N VAL 354.A O no hydrogen 3.084 N/A THR 341.A OG1 VAL 354.A O no hydrogen 2.728 N/A THR 341.A OG1 TYR 372.A OH no hydrogen 2.713 N/A GLY 342.A N CYS 386.A O no hydrogen 2.757 N/A TYR 344.A N ARG 384.A O no hydrogen 2.961 N/A HIS 345.A N GLU 348.A O no hydrogen 3.048 N/A GLU 348.A N HIS 345.A O no hydrogen 3.443 N/A LEU 350.A N ILE 343.A O no hydrogen 2.728 N/A CYS 351.A SG ASP 352.A O no hydrogen 3.849 N/A ASN 353.A N ASP 352.A OD1 no hydrogen 2.959 N/A ASN 353.A ND2 TYR 344.A OH no hydrogen 3.338 N/A VAL 354.A N THR 341.A O no hydrogen 2.996 N/A THR 356.A N VAL 339.A O no hydrogen 3.043 N/A THR 356.A OG1 GLN 357.A O no hydrogen 3.267 N/A GLN 357.A N GLU 368.A OE1 no hydrogen 3.110 N/A ARG 358.A NH1 GLU 400.A OE1 no hydrogen 3.420 N/A ARG 358.A NH2 GLU 400.A OE1 no hydrogen 3.326 N/A ARG 358.A NH2 GLU 400.A OE2 no hydrogen 2.819 N/A VAL 359.A N ILE 337.A O no hydrogen 2.967 N/A CYS 361.A SG ILE 334.A O no hydrogen 3.988 N/A CYS 361.A SG ASP 335.A O no hydrogen 3.969 N/A ASN 363.A N PRO 360.A O no hydrogen 2.931 N/A ARG 365.A N ASN 363.A O no hydrogen 2.845 N/A TRP 366.A N LEU 322.A O no hydrogen 2.866 N/A ASN 367.A N LEU 322.A O no hydrogen 3.081 N/A GLU 368.A N ILE 321.A O no hydrogen 3.159 N/A LEU 370.A N ILE 319.A O no hydrogen 2.712 N/A TYR 372.A N LEU 317.A O no hydrogen 2.801 N/A TYR 372.A OH THR 341.A OG1 no hydrogen 2.713 N/A ILE 376.A N SER 315.A O no hydrogen 3.179 N/A ASP 378.A N TYR 375.A O no hydrogen 2.890 N/A LEU 379.A N ILE 376.A O no hydrogen 3.137 N/A ARG 381.A NH1 ARG 381.A O no hydrogen 2.876 N/A ARG 381.A NH1 TYR 603.A OH no hydrogen 2.872 N/A ARG 381.A NH2 ASP 417.A OD1 no hydrogen 3.006 N/A ALA 383.A N PRO 380.A O no hydrogen 3.161 N/A ARG 384.A N TYR 344.A O no hydrogen 2.906 N/A ARG 384.A NH1 PRO 441.A O no hydrogen 2.867 N/A ARG 384.A NH2 PRO 441.A O no hydrogen 2.767 N/A LEU 385.A N ILE 410.A O no hydrogen 2.842 N/A CYS 386.A N GLY 342.A O no hydrogen 2.888 N/A LEU 387.A N GLY 408.A O no hydrogen 3.044 N/A SER 388.A N ARG 340.A O no hydrogen 2.813 N/A SER 388.A OG LEU 438.A O no hydrogen 2.753 N/A ILE 389.A N ALA 406.A O no hydrogen 2.955 N/A CYS 390.A N TYR 338.A O no hydrogen 2.848 N/A CYS 390.A SG SER 388.A OG no hydrogen 3.255 N/A SER 391.A N CYS 403.A O.A no hydrogen 2.939 N/A SER 391.A N CYS 403.A O.B no hydrogen 2.946 N/A VAL 392.A N LYS 336.A O no hydrogen 2.909 N/A LYS 393.A N GLU 401.A O no hydrogen 3.179 N/A GLY 394.A N ASP 335.A OD2 no hydrogen 3.074 N/A ARG 395.A NH1 ARG 332.A O no hydrogen 2.847 N/A ARG 395.A NH2 ARG 332.A O no hydrogen 3.327 N/A LYS 399.A N LYS 396.A O no hydrogen 3.106 N/A GLU 401.A N LYS 393.A O no hydrogen 2.999 N/A HIS 402.A ND1 TYR 338.A OH no hydrogen 2.814 N/A HIS 402.A NE2 GLU 400.A OE2 no hydrogen 3.033 N/A CYS 403.A N.A SER 391.A O no hydrogen 3.215 N/A CYS 403.A N.B SER 391.A O no hydrogen 3.221 N/A CYS 403.A SG.A HIS 402.A O no hydrogen 3.592 N/A CYS 403.A SG.B PRO 404.A O no hydrogen 3.353 N/A LEU 405.A N ILE 389.A O no hydrogen 2.792 N/A TRP 407.A N TRP 429.A O no hydrogen 3.190 N/A TRP 407.A NE1 PRO 430.A O no hydrogen 2.952 N/A GLY 408.A N LEU 387.A O no hydrogen 3.128 N/A ASN 409.A ND2 ASN 440.A O no hydrogen 2.794 N/A ASN 409.A ND2 GLY 443.A O no hydrogen 2.998 N/A ILE 410.A N LEU 385.A O no hydrogen 3.005 N/A ASN 411.A ND2 GLN 602.A O no hydrogen 3.072 N/A LEU 412.A N ALA 383.A O no hydrogen 3.187 N/A ASP 414.A N THR 418.A O no hydrogen 2.904 N/A TYR 415.A OH ASP 137.A OD2 no hydrogen 2.728 N/A THR 416.A N ASP 414.A OD1 no hydrogen 2.980 N/A THR 416.A OG1 ASP 414.A OD1 no hydrogen 2.658 N/A ASP 417.A N ASP 414.A O no hydrogen 2.838 N/A THR 418.A N ASP 414.A OD1 no hydrogen 2.976 N/A LEU 419.A N VAL 467.A O no hydrogen 2.920 N/A VAL 420.A N LEU 412.A O no hydrogen 2.797 N/A MET 424.A N LEU 458.A O no hydrogen 2.847 N/A LEU 426.A N LEU 456.A O no hydrogen 2.903 N/A ASN 427.A N SER 447.A OG no hydrogen 2.874 N/A LEU 428.A N PRO 454.A O no hydrogen 2.893 N/A TRP 429.A N TRP 407.A O no hydrogen 2.849 N/A TRP 429.A NE1 GLY 446.A O no hydrogen 3.165 N/A LEU 435.A N PRO 432.A O no hydrogen 2.979 N/A GLY 443.A N ASN 440.A O no hydrogen 3.101 N/A GLY 446.A N ASN 409.A O no hydrogen 2.782 N/A ASN 448.A N ASN 427.A O no hydrogen 2.854 N/A ASN 448.A ND2 LEU 428.A O no hydrogen 3.018 N/A ASN 450.A N ASN 448.A OD1 no hydrogen 2.826 N/A LYS 451.A NZ ASN 448.A O no hydrogen 2.950 N/A GLU 452.A N ASN 450.A OD1 no hydrogen 2.934 N/A THR 453.A OG1 ASN 427.A OD1 no hydrogen 3.357 N/A THR 453.A OG1 ASN 450.A O no hydrogen 2.678 N/A CYS 455.A N THR 325.A OG1 no hydrogen 2.892 N/A CYS 455.A SG LEU 426.A O no hydrogen 3.901 N/A LEU 456.A N LEU 426.A O no hydrogen 2.780 N/A GLU 457.A N CYS 323.A O no hydrogen 2.701 N/A LEU 458.A N MET 424.A O no hydrogen 2.733 N/A PHE 460.A N GLY 422.A O no hydrogen 3.030 N/A VAL 466.A N SER 306.A O no hydrogen 3.190 N/A LYS 468.A N LYS 308.A O no hydrogen 3.072 N/A LYS 468.A NZ THR 416.A O no hydrogen 2.786 N/A PHE 469.A N ASP 417.A O no hydrogen 2.848 N/A SER 473.A OG ASP 471.A OD2 no hydrogen 2.968 N/A ILE 475.A N ASP 471.A O no hydrogen 2.890 N/A GLU 476.A N MET 472.A O no hydrogen 2.808 N/A GLU 477.A N SER 473.A O no hydrogen 3.116 N/A HIS 478.A N VAL 474.A O no hydrogen 3.435 N/A ASN 480.A N GLU 477.A O no hydrogen 3.014 N/A ASN 480.A ND2 GLU 477.A O no hydrogen 3.309 N/A GLU 488.A N GLU 484.A O no hydrogen 3.214 N/A LEU 490.A N ASP 486.A O no hydrogen 3.007 N/A LYS 491.A N LYS 487.A O no hydrogen 3.292 N/A ALA 492.A N GLU 488.A O no hydrogen 3.340 N/A ILE 493.A N GLN 489.A O no hydrogen 3.073 N/A SER 494.A N LEU 490.A O no hydrogen 3.196 N/A SER 494.A OG LEU 490.A O no hydrogen 3.555 N/A SER 494.A OG LYS 491.A O no hydrogen 2.726 N/A THR 495.A N LYS 491.A O no hydrogen 3.175 N/A THR 495.A OG1 LYS 491.A O no hydrogen 3.565 N/A THR 495.A OG1 ALA 492.A O no hydrogen 2.729 N/A ARG 496.A N ILE 493.A O no hydrogen 3.211 N/A ARG 496.A NE SER 500.A OG no hydrogen 3.286 N/A ARG 496.A NH1 GLU 506.A OE2 no hydrogen 3.065 N/A ARG 496.A NH2 GLU 501.A O no hydrogen 2.768 N/A ARG 496.A NH2 GLU 506.A OE1 no hydrogen 3.389 N/A ARG 496.A NH2 GLU 506.A OE2 no hydrogen 3.093 N/A LEU 499.A N ASP 497.A OD2 no hydrogen 3.103 N/A SER 500.A N ASP 497.A O no hydrogen 3.032 N/A THR 503.A N GLU 506.A OE1 no hydrogen 2.759 N/A THR 503.A OG1 GLU 506.A OE1 no hydrogen 3.281 N/A GLN 505.A N GLN 505.A OE1 no hydrogen 3.116 N/A GLU 506.A N THR 503.A OG1 no hydrogen 3.252 N/A LYS 507.A N THR 503.A O no hydrogen 2.863 N/A LYS 507.A NZ GLU 504.A OE2 no hydrogen 3.261 N/A ASP 508.A N GLU 504.A O no hydrogen 2.885 N/A PHE 509.A N GLN 505.A O no hydrogen 2.799 N/A LEU 510.A N GLU 506.A O no hydrogen 2.752 N/A TRP 511.A N LYS 507.A O no hydrogen 2.990 N/A SER 512.A N ASP 508.A O no hydrogen 3.154 N/A SER 512.A OG ASP 508.A O no hydrogen 2.726 N/A HIS 513.A N PHE 509.A O no hydrogen 3.223 N/A HIS 513.A ND1 PHE 509.A O no hydrogen 2.786 N/A ARG 514.A NH1 TRP 511.A O no hydrogen 2.777 N/A ARG 514.A NH2 GLN 541.A OE1 no hydrogen 2.753 N/A TYR 516.A N HIS 513.A O no hydrogen 2.821 N/A CYS 517.A N HIS 513.A O no hydrogen 3.030 N/A CYS 517.A SG LEU 510.A O no hydrogen 4.007 N/A CYS 517.A SG HIS 513.A O no hydrogen 3.373 N/A THR 519.A N TYR 516.A O no hydrogen 2.899 N/A THR 519.A OG1 TYR 516.A O no hydrogen 2.689 N/A ILE 520.A N CYS 517.A O no hydrogen 2.894 N/A ILE 523.A N ILE 520.A O no hydrogen 3.269 N/A LEU 524.A N PRO 521.A O no hydrogen 3.250 N/A LYS 526.A NZ ASP 497.A O no hydrogen 2.812 N/A LEU 527.A N ILE 523.A O no hydrogen 2.808 N/A LEU 528.A N LEU 524.A O no hydrogen 2.815 N/A LEU 529.A N PRO 525.A O no hydrogen 3.316 N/A SER 530.A N LEU 527.A O no hydrogen 3.030 N/A SER 530.A OG LYS 526.A O no hydrogen 3.043 N/A LYS 532.A N GLU 538.A OE1 no hydrogen 3.373 N/A TRP 533.A NE1 LEU 528.A O no hydrogen 2.848 N/A ASN 534.A ND2 LEU 350.A O no hydrogen 3.083 N/A SER 535.A N LYS 532.A O no hydrogen 3.172 N/A SER 535.A OG ASP 537.A OD2 no hydrogen 3.302 N/A ARG 536.A N ASP 378.A OD1 no hydrogen 2.768 N/A VAL 539.A N SER 535.A O no hydrogen 3.203 N/A ALA 540.A N ARG 536.A O no hydrogen 3.137 N/A GLN 541.A NE2 ASP 537.A O no hydrogen 3.385 N/A MET 542.A N GLU 538.A O no hydrogen 2.877 N/A TYR 543.A N VAL 539.A O no hydrogen 2.829 N/A TYR 543.A OH ASP 567.A OD1 no hydrogen 3.399 N/A TYR 543.A OH ASP 567.A OD2 no hydrogen 2.855 N/A CYS 544.A N GLN 541.A O no hydrogen 3.237 N/A CYS 544.A SG ALA 540.A O no hydrogen 3.494 N/A LEU 545.A N GLN 541.A O no hydrogen 3.289 N/A LEU 545.A N MET 542.A O no hydrogen 2.983 N/A VAL 546.A N MET 542.A O no hydrogen 3.016 N/A LYS 547.A N TYR 543.A O no hydrogen 3.294 N/A TRP 549.A N VAL 546.A O no hydrogen 3.240 N/A TRP 549.A NE1 PRO 521.A O no hydrogen 2.876 N/A LYS 553.A N GLN 556.A OE1 no hydrogen 3.051 N/A GLU 555.A N GLU 555.A OE1 no hydrogen 2.905 N/A GLN 556.A N LYS 553.A O no hydrogen 2.882 N/A ALA 557.A N LYS 553.A O no hydrogen 3.094 N/A MET 558.A N PRO 554.A O no hydrogen 2.822 N/A GLU 559.A N GLN 556.A O no hydrogen 3.320 N/A LEU 560.A N ALA 557.A O no hydrogen 2.855 N/A LEU 561.A N MET 558.A O no hydrogen 3.265 N/A ASP 562.A N GLU 559.A O no hydrogen 2.889 N/A ASN 564.A N ASP 562.A OD1 no hydrogen 2.787 N/A TYR 565.A N ASP 562.A O no hydrogen 3.328 N/A TYR 565.A OH PRO 525.A O no hydrogen 3.214 N/A TYR 565.A OH GLU 559.A OE2 no hydrogen 3.022 N/A MET 569.A N ASP 567.A OD1 no hydrogen 2.842 N/A ARG 571.A N ASP 567.A O no hydrogen 3.046 N/A ARG 571.A NE GLU 601.A OE2 no hydrogen 2.848 N/A ARG 571.A NH1 LEU 561.A O no hydrogen 2.806 N/A ARG 571.A NH1 ASP 562.A O no hydrogen 3.090 N/A ARG 571.A NH1 TYR 565.A O no hydrogen 2.893 N/A ARG 571.A NH2 LEU 561.A O no hydrogen 2.781 N/A ARG 571.A NH2 GLU 601.A OE2 no hydrogen 2.816 N/A GLY 572.A N PRO 568.A O no hydrogen 2.949 N/A PHE 573.A N MET 569.A O no hydrogen 2.989 N/A ALA 574.A N VAL 570.A O no hydrogen 3.020 N/A VAL 575.A N ARG 571.A O no hydrogen 2.953 N/A ARG 576.A N GLY 572.A O no hydrogen 3.030 N/A CYS 577.A N PHE 573.A O no hydrogen 3.149 N/A CYS 577.A SG PHE 573.A O no hydrogen 3.552 N/A LEU 578.A N ALA 574.A O no hydrogen 3.287 N/A GLU 579.A N VAL 575.A O no hydrogen 3.031 N/A LYS 580.A N ARG 576.A O no hydrogen 3.009 N/A TYR 581.A N CYS 577.A O no hydrogen 2.770 N/A LEU 582.A N LEU 578.A O no hydrogen 2.923 N/A THR 583.A OG1 SER 172.A OG no hydrogen 2.649 N/A LYS 586.A N THR 583.A OG1 no hydrogen 3.351 N/A LEU 587.A N THR 583.A O no hydrogen 2.941 N/A SER 588.A N ASP 584.A O no hydrogen 2.939 N/A SER 588.A OG ASP 584.A O no hydrogen 3.081 N/A GLN 589.A N ASP 585.A O no hydrogen 3.015 N/A TYR 590.A N LYS 586.A O no hydrogen 2.961 N/A TYR 590.A OH GLU 555.A OE2 no hydrogen 3.180 N/A GLN 593.A NE2 GLN 774.A OE1 no hydrogen 2.806 N/A LEU 594.A N TYR 590.A O no hydrogen 3.109 N/A VAL 595.A N LEU 591.A O no hydrogen 3.078 N/A GLN 596.A N ILE 592.A O no hydrogen 3.247 N/A VAL 597.A N GLN 593.A O no hydrogen 3.048 N/A LEU 598.A N VAL 595.A O no hydrogen 3.236 N/A LYS 599.A N GLN 596.A O no hydrogen 3.338 N/A LYS 599.A NZ GLN 596.A OE1 no hydrogen 3.101 N/A LYS 599.A NZ GLU 633.A OE2 no hydrogen 2.820 N/A LYS 599.A NZ GLY 958.A O no hydrogen 3.447 N/A TYR 600.A N VAL 597.A O no hydrogen 3.184 N/A GLU 601.A N LEU 598.A O no hydrogen 3.375 N/A GLN 602.A NE2 ASN 411.A OD1 no hydrogen 2.909 N/A TYR 603.A OH PHE 413.A O no hydrogen 2.565 N/A LEU 604.A N GLU 134.A OE2 no hydrogen 3.044 N/A ASN 606.A ND2 TYR 603.A O no hydrogen 2.813 N/A VAL 609.A N ASN 606.A OD1 no hydrogen 2.825 N/A ARG 610.A NE ASP 605.A OD1 no hydrogen 2.692 N/A ARG 610.A NH2 ASN 141.A O no hydrogen 3.191 N/A ARG 610.A NH2 ASP 605.A OD1 no hydrogen 3.404 N/A ARG 610.A NH2 ASP 605.A OD2 no hydrogen 3.013 N/A PHE 611.A N LEU 607.A O no hydrogen 3.159 N/A LEU 612.A N LEU 608.A O no hydrogen 2.954 N/A LEU 613.A N VAL 609.A O no hydrogen 2.973 N/A LYS 614.A N ARG 610.A O no hydrogen 2.818 N/A LYS 614.A NZ GLU 148.A OE1 no hydrogen 3.002 N/A LYS 615.A N PHE 611.A O no hydrogen 3.034 N/A LYS 615.A NZ ASP 584.A OD1 no hydrogen 3.242 N/A ALA 616.A N LEU 612.A O no hydrogen 2.848 N/A LEU 617.A N LEU 613.A O no hydrogen 3.020 N/A LEU 617.A N LYS 614.A O no hydrogen 3.147 N/A THR 618.A N LYS 615.A O no hydrogen 3.328 N/A THR 618.A OG1 LYS 614.A O no hydrogen 3.122 N/A ASN 619.A ND2 ASP 584.A OD2 no hydrogen 3.166 N/A GLN 620.A N TYR 164.A O no hydrogen 2.922 N/A ARG 621.A N ASN 619.A OD1 no hydrogen 3.011 N/A ARG 621.A NH1 PRO 167.A O no hydrogen 3.236 N/A ILE 622.A N ASN 619.A OD1 no hydrogen 3.175 N/A GLY 623.A N ASN 619.A O no hydrogen 2.783 N/A HIS 624.A N GLN 620.A O no hydrogen 2.982 N/A HIS 624.A ND1 TYR 657.A OH no hydrogen 2.728 N/A HIS 624.A NE2 PRO 713.A O no hydrogen 2.724 N/A PHE 626.A N ILE 622.A O no hydrogen 2.976 N/A PHE 627.A N GLY 623.A O no hydrogen 2.966 N/A TRP 628.A N HIS 624.A O no hydrogen 3.055 N/A TRP 628.A NE1 GLN 664.A OE1 no hydrogen 2.952 N/A HIS 629.A N PHE 625.A O no hydrogen 2.784 N/A LEU 630.A N PHE 626.A O no hydrogen 3.095 N/A LYS 631.A N PHE 627.A O no hydrogen 2.794 N/A LYS 631.A NZ ALA 119.A O no hydrogen 2.809 N/A SER 632.A N TRP 628.A O no hydrogen 3.188 N/A SER 632.A OG TRP 628.A O no hydrogen 3.314 N/A SER 632.A OG HIS 629.A O no hydrogen 2.981 N/A GLU 633.A N LEU 630.A O no hydrogen 3.107 N/A MET 634.A N LYS 631.A O no hydrogen 3.236 N/A ASN 636.A N GLU 633.A O no hydrogen 2.982 N/A THR 638.A N ASN 636.A OD1 no hydrogen 3.170 N/A THR 638.A OG1 ASN 636.A OD1 no hydrogen 2.729 N/A VAL 639.A N ASN 636.A O no hydrogen 3.064 N/A SER 640.A N ASN 636.A O no hydrogen 2.939 N/A ARG 642.A NH1 TYR 603.A O no hydrogen 3.134 N/A PHE 643.A N VAL 639.A O no hydrogen 2.862 N/A GLY 644.A N SER 640.A O no hydrogen 2.827 N/A LEU 645.A N GLN 641.A O no hydrogen 3.037 N/A LEU 646.A N ARG 642.A O no hydrogen 3.283 N/A LEU 647.A N PHE 643.A O no hydrogen 2.891 N/A GLU 648.A N GLY 644.A O no hydrogen 2.872 N/A SER 649.A N LEU 645.A O no hydrogen 3.178 N/A SER 649.A OG LEU 645.A O no hydrogen 3.503 N/A SER 649.A OG LEU 646.A O no hydrogen 2.921 N/A TYR 650.A N LEU 646.A O no hydrogen 2.999 N/A CYS 651.A N LEU 647.A O no hydrogen 2.984 N/A CYS 651.A SG LEU 647.A O no hydrogen 3.152 N/A ARG 652.A N GLU 648.A O no hydrogen 2.970 N/A ARG 652.A NH1 ASN 113.A OD1 no hydrogen 3.285 N/A ARG 652.A NH2 ASN 113.A OD1 no hydrogen 2.923 N/A ARG 652.A NH2 GLU 648.A OE2 no hydrogen 2.795 N/A ALA 653.A N SER 649.A O no hydrogen 3.221 N/A ALA 653.A N TYR 650.A O no hydrogen 3.226 N/A CYS 654.A SG CYS 651.A O no hydrogen 3.677 N/A MET 656.A N ASP 292.A OD1 no hydrogen 2.825 N/A TYR 657.A OH HIS 624.A ND1 no hydrogen 2.728 N/A LEU 658.A N GLY 655.A O no hydrogen 3.325 N/A LYS 659.A N MET 656.A O no hydrogen 3.256 N/A LEU 661.A N TYR 657.A O no hydrogen 2.868 N/A ASN 662.A N LEU 658.A O no hydrogen 2.872 N/A ASN 662.A ND2 GLU 115.A O no hydrogen 3.190 N/A ARG 663.A N LYS 659.A O no hydrogen 3.235 N/A ARG 663.A NH1 ASP 705.A O no hydrogen 3.053 N/A ARG 663.A NH1 GLY 709.A O no hydrogen 3.435 N/A ARG 663.A NH2 ASP 705.A O no hydrogen 2.953 N/A GLN 664.A N HIS 660.A O no hydrogen 3.278 N/A GLN 664.A NE2 TYR 657.A OH no hydrogen 3.288 N/A GLN 664.A NE2 HIS 660.A O no hydrogen 3.291 N/A VAL 665.A N LEU 661.A O no hydrogen 2.903 N/A GLU 666.A N ASN 662.A O no hydrogen 2.994 N/A ALA 667.A N ARG 663.A O no hydrogen 3.063 N/A MET 668.A N GLN 664.A O no hydrogen 2.876 N/A GLU 669.A N VAL 665.A O no hydrogen 2.990 N/A LYS 670.A N GLU 666.A O no hydrogen 3.105 N/A LYS 670.A NZ ASP 90.A OD1 no hydrogen 2.809 N/A LEU 671.A N ALA 667.A O no hydrogen 3.294 N/A ILE 672.A N MET 668.A O no hydrogen 2.983 N/A ASN 673.A N GLU 669.A O no hydrogen 3.089 N/A ASN 673.A ND2 HIS 13.A O no hydrogen 2.927 N/A LEU 674.A N LYS 670.A O no hydrogen 3.071 N/A THR 675.A N LEU 671.A O no hydrogen 3.083 N/A THR 675.A OG1 LEU 671.A O no hydrogen 2.891 N/A THR 675.A OG1 ILE 672.A O no hydrogen 3.260 N/A ASP 676.A N ILE 672.A O no hydrogen 2.862 N/A ILE 677.A N ASN 673.A O no hydrogen 3.155 N/A LEU 678.A N LEU 674.A O no hydrogen 3.376 N/A LYS 679.A N THR 675.A O no hydrogen 2.978 N/A LYS 679.A NZ ASP 676.A OD1 no hydrogen 3.394 N/A LYS 679.A NZ ASN 762.A OD1 no hydrogen 3.149 N/A LYS 682.A N ILE 677.A O no hydrogen 2.846 N/A LYS 683.A N GLN 680.A O no hydrogen 3.467 N/A LYS 683.A NZ ASP 684.A OD2 no hydrogen 3.287 N/A GLN 687.A NE2 ILE 730.A O no hydrogen 2.951 N/A GLN 690.A N THR 686.A O no hydrogen 2.920 N/A GLN 690.A NE2 LEU 678.A O no hydrogen 3.468 N/A GLN 690.A NE2 LYS 682.A O no hydrogen 2.745 N/A MET 691.A N GLN 687.A O no hydrogen 2.786 N/A LYS 692.A N LYS 688.A O no hydrogen 3.011 N/A PHE 693.A N VAL 689.A O no hydrogen 3.005 N/A LEU 694.A N GLN 690.A O no hydrogen 2.875 N/A VAL 695.A N MET 691.A O no hydrogen 2.826 N/A GLU 696.A N LYS 692.A O no hydrogen 3.143 N/A GLN 697.A N PHE 693.A O no hydrogen 2.973 N/A MET 698.A N LEU 694.A O no hydrogen 2.932 N/A ARG 699.A N.A VAL 695.A O no hydrogen 3.187 N/A ARG 699.A N.B VAL 695.A O no hydrogen 3.181 N/A ARG 700.A N GLN 697.A O no hydrogen 3.154 N/A ARG 700.A NE GLN 697.A OE1 no hydrogen 2.783 N/A PHE 703.A N ARG 700.A O no hydrogen 2.959 N/A MET 704.A N ARG 700.A O no hydrogen 2.912 N/A ASP 705.A N PRO 701.A O no hydrogen 2.801 N/A LEU 707.A N PHE 703.A O no hydrogen 2.930 N/A GLN 708.A NE2 MET 704.A O no hydrogen 3.157 N/A GLY 709.A N LEU 720.A O no hydrogen 2.918 N/A GLY 709.A N GLY 721.A O no hydrogen 3.361 N/A PHE 710.A N LEU 720.A O no hydrogen 3.114 N/A SER 712.A N HIS 718.A O no hydrogen 2.915 N/A LEU 714.A N SER 712.A OG no hydrogen 3.270 N/A ASN 715.A N SER 712.A O no hydrogen 3.077 N/A ALA 717.A N ASN 715.A OD1 no hydrogen 2.926 N/A HIS 718.A N ASN 715.A O no hydrogen 2.812 N/A LEU 720.A N PHE 710.A O no hydrogen 2.755 N/A GLY 721.A N GLU 743.A O no hydrogen 3.014 N/A ASN 722.A ND2 GLU 743.A OE1 no hydrogen 3.443 N/A LEU 723.A N GLN 708.A OE1 no hydrogen 2.901 N/A ARG 724.A N.A ASN 741.A O no hydrogen 2.973 N/A ARG 724.A N.B ASN 741.A O no hydrogen 2.977 N/A ARG 724.A NE.B GLU 726.A OE2 no hydrogen 2.769 N/A ARG 724.A NH1.B GLU 726.A OE2 no hydrogen 3.244 N/A ARG 724.A NH2.B GLU 743.A OE2 no hydrogen 2.756 N/A GLU 726.A N GLU 726.A OE1 no hydrogen 2.982 N/A GLU 727.A N ARG 724.A O.A no hydrogen 2.819 N/A GLU 727.A N ARG 724.A O.B no hydrogen 2.814 N/A CYS 728.A N LEU 725.A O no hydrogen 3.343 N/A CYS 728.A SG ARG 724.A O.A no hydrogen 3.562 N/A CYS 728.A SG ARG 724.A O.B no hydrogen 3.587 N/A CYS 728.A SG ASN 741.A O no hydrogen 3.976 N/A GLU 729.A N LYS 739.A O no hydrogen 2.997 N/A MET 731.A N PRO 737.A O no hydrogen 2.867 N/A LYS 735.A NZ ASP 764.A OD2 no hydrogen 2.819 N/A ARG 736.A NE SER 733.A O no hydrogen 3.248 N/A ARG 736.A NH2 GLN 690.A OE1 no hydrogen 3.113 N/A LEU 738.A N PHE 760.A O no hydrogen 3.010 N/A LYS 739.A N GLU 729.A O no hydrogen 2.792 N/A LEU 740.A N ILE 758.A O no hydrogen 2.835 N/A TRP 742.A N ASN 756.A O no hydrogen 2.838 N/A TRP 742.A NE1 LEU 707.A O no hydrogen 2.698 N/A GLU 743.A N ASN 722.A O no hydrogen 2.786 N/A ASN 744.A N GLN 754.A O no hydrogen 2.833 N/A ASN 744.A ND2 GLY 248.A O no hydrogen 2.755 N/A ASN 744.A ND2 PHE 753.A O no hydrogen 2.969 N/A ASP 746.A N ASN 744.A OD1 no hydrogen 3.321 N/A MET 748.A N ASP 746.A OD2 no hydrogen 3.197 N/A SER 749.A N ASP 746.A O no hydrogen 3.242 N/A GLU 750.A N GLU 750.A OE1 no hydrogen 2.861 N/A LEU 751.A N MET 748.A O no hydrogen 3.179 N/A LEU 752.A N SER 749.A O no hydrogen 2.972 N/A ASN 756.A N TRP 742.A O no hydrogen 2.740 N/A ILE 758.A N LEU 740.A O no hydrogen 2.952 N/A MET 759.A N ILE 807.A O no hydrogen 2.778 N/A PHE 760.A N LEU 738.A O no hydrogen 2.847 N/A LYS 761.A N GLY 805.A O no hydrogen 2.907 N/A LYS 761.A NZ ASP 764.A OD2 no hydrogen 3.089 N/A ASN 762.A ND2 THR 675.A OG1 no hydrogen 2.772 N/A ASN 762.A ND2 ASP 676.A OD1 no hydrogen 3.059 N/A GLY 763.A N CYS 803.A O no hydrogen 2.791 N/A ARG 767.A N ASP 765.A OD1 no hydrogen 3.362 N/A ARG 767.A NE ASP 765.A OD1 no hydrogen 3.008 N/A ARG 767.A NE ASP 765.A OD2 no hydrogen 3.380 N/A ARG 767.A NH1 SER 959.A O no hydrogen 3.119 N/A ARG 767.A NH2 ASP 765.A OD2 no hydrogen 2.781 N/A GLN 768.A NE2 GLY 886.A O no hydrogen 3.302 N/A GLN 768.A NE2 HIS 887.A ND1 no hydrogen 3.352 N/A MET 770.A N LEU 766.A O no hydrogen 2.966 N/A LEU 771.A N ARG 767.A O no hydrogen 2.958 N/A THR 772.A N GLN 768.A O no hydrogen 2.995 N/A THR 772.A OG1 GLN 768.A O no hydrogen 2.815 N/A LEU 773.A N ASP 769.A O no hydrogen 3.053 N/A GLN 774.A N MET 770.A O no hydrogen 3.143 N/A GLN 774.A NE2 GLN 589.A O no hydrogen 2.753 N/A GLN 774.A NE2 GLN 593.A OE1 no hydrogen 2.743 N/A ILE 775.A N LEU 771.A O no hydrogen 2.916 N/A ILE 776.A N THR 772.A O no hydrogen 3.127 N/A ARG 777.A N LEU 773.A O no hydrogen 3.222 N/A ARG 777.A NH1 PRO 794.A O no hydrogen 2.769 N/A ILE 778.A N GLN 774.A O no hydrogen 3.095 N/A MET 779.A N ILE 775.A O no hydrogen 2.955 N/A GLU 780.A N ILE 776.A O no hydrogen 2.758 N/A ASN 781.A N ARG 777.A O no hydrogen 2.866 N/A ILE 782.A N ILE 778.A O no hydrogen 2.979 N/A TRP 783.A N MET 779.A O no hydrogen 2.994 N/A TRP 783.A NE1 ALA 938.A O no hydrogen 2.931 N/A GLN 784.A N GLU 780.A O no hydrogen 2.992 N/A GLN 784.A NE2 GLU 780.A OE2 no hydrogen 2.795 N/A GLN 784.A NE2 ASP 789.A OD1 no hydrogen 3.202 N/A ASN 785.A N ASN 781.A O no hydrogen 3.082 N/A ASN 785.A ND2 ASN 781.A O no hydrogen 2.914 N/A GLN 786.A N TRP 783.A O no hydrogen 3.179 N/A GLN 786.A NE2 GLN 944.A OE1 no hydrogen 3.623 N/A GLY 787.A N GLN 784.A O no hydrogen 3.003 N/A LEU 788.A N TRP 783.A O no hydrogen 2.736 N/A ARG 791.A NE ASP 789.A OD1 no hydrogen 3.557 N/A ARG 791.A NE ASP 789.A OD2 no hydrogen 3.256 N/A ARG 791.A NH2 ASP 789.A OD2 no hydrogen 3.480 N/A MET 792.A N GLU 780.A OE1 no hydrogen 2.895 N/A TYR 795.A OH HIS 882.A O no hydrogen 2.828 N/A GLY 796.A N GLU 808.A OE1 no hydrogen 2.934 N/A CYS 797.A SG LEU 806.A O no hydrogen 4.018 N/A LEU 798.A N LEU 806.A O no hydrogen 2.802 N/A ILE 800.A N VAL 804.A O no hydrogen 2.898 N/A GLY 801.A N VAL 804.A O no hydrogen 3.269 N/A CYS 803.A SG ASP 802.A OD1 no hydrogen 3.832 N/A GLY 805.A N LYS 761.A O no hydrogen 3.009 N/A LEU 806.A N LEU 798.A O no hydrogen 2.920 N/A ILE 807.A N MET 759.A O no hydrogen 3.019 N/A GLU 808.A N GLY 796.A O no hydrogen 2.803 N/A TRP 809.A N ILE 757.A O no hydrogen 3.097 N/A SER 813.A OG VAL 810.A O no hydrogen 3.070 N/A HIS 814.A N VAL 874.A O no hydrogen 2.860 N/A THR 815.A N GLN 818.A OE1 no hydrogen 3.175 N/A THR 815.A OG1 ASN 869.A O no hydrogen 3.501 N/A ILE 816.A N ILE 872.A O no hydrogen 3.052 N/A MET 817.A N ASN 869.A O no hydrogen 2.817 N/A GLN 818.A N THR 815.A O no hydrogen 2.824 N/A GLN 818.A N THR 815.A OG1 no hydrogen 3.294 N/A ILE 819.A N THR 815.A O no hydrogen 3.344 N/A GLN 820.A N ILE 816.A O no hydrogen 3.030 N/A GLN 820.A NE2 ASP 910.A OD2 no hydrogen 3.266 N/A CYS 821.A N MET 817.A O no hydrogen 2.806 N/A LYS 822.A N GLN 818.A O no hydrogen 3.280 N/A ASN 824.A N THR 827.A OG1 no hydrogen 2.864 N/A HIS 826.A N ASN 824.A OD1 no hydrogen 2.807 N/A THR 827.A OG1 ASN 824.A O no hydrogen 2.868 N/A HIS 829.A NE2 TYR 841.A OH no hydrogen 2.699 N/A GLN 830.A N HIS 826.A O no hydrogen 2.799 N/A GLN 830.A NE2 ASP 834.A OD1 no hydrogen 2.810 N/A TRP 831.A N THR 827.A O no hydrogen 2.904 N/A LEU 832.A N LEU 828.A O no hydrogen 2.979 N/A LYS 833.A N HIS 829.A O no hydrogen 2.848 N/A ASP 834.A N GLN 830.A O no hydrogen 2.882 N/A LYS 835.A N TRP 831.A O no hydrogen 3.164 N/A LYS 835.A NZ ASP 876.A OD1 no hydrogen 3.379 N/A ASN 836.A N LYS 833.A O no hydrogen 3.152 N/A ASN 836.A ND2 LEU 832.A O no hydrogen 3.238 N/A ASN 836.A ND2 ASP 876.A O no hydrogen 2.776 N/A TYR 841.A OH HIS 829.A NE2 no hydrogen 2.699 N/A ILE 845.A N TYR 841.A O no hydrogen 3.087 N/A ASP 846.A N ASP 842.A O no hydrogen 2.809 N/A LEU 847.A N ALA 843.A O no hydrogen 2.830 N/A PHE 848.A N ALA 844.A O no hydrogen 3.047 N/A THR 849.A N ILE 845.A O no hydrogen 3.126 N/A THR 849.A OG1 ILE 845.A O no hydrogen 2.807 N/A ARG 850.A N ASP 846.A O no hydrogen 3.073 N/A ARG 850.A NE ASP 789.A O no hydrogen 2.792 N/A ARG 850.A NH1 ASP 846.A OD1 no hydrogen 2.808 N/A SER 851.A N LEU 847.A O no hydrogen 3.102 N/A SER 851.A OG LEU 847.A O no hydrogen 2.885 N/A SER 851.A OG PHE 848.A O no hydrogen 3.074 N/A CYS 852.A N PHE 848.A O no hydrogen 3.041 N/A ALA 853.A N THR 849.A O no hydrogen 2.936 N/A GLY 854.A N ARG 850.A O no hydrogen 2.898 N/A TYR 855.A N SER 851.A O no hydrogen 3.114 N/A TYR 855.A OH MET 792.A O no hydrogen 3.276 N/A CYS 856.A N CYS 852.A O no hydrogen 3.142 N/A CYS 856.A SG CYS 852.A O no hydrogen 3.559 N/A CYS 856.A SG PHE 905.A O no hydrogen 3.885 N/A VAL 857.A N ALA 853.A O no hydrogen 3.293 N/A ALA 858.A N GLY 854.A O no hydrogen 3.045 N/A THR 859.A N TYR 855.A O no hydrogen 3.004 N/A THR 859.A OG1 TYR 855.A O no hydrogen 2.689 N/A THR 859.A OG1 CYS 856.A O no hydrogen 3.547 N/A PHE 860.A N CYS 856.A O no hydrogen 3.074 N/A ILE 861.A N VAL 857.A O no hydrogen 2.830 N/A LEU 862.A N ALA 858.A O no hydrogen 3.023 N/A GLY 863.A N THR 859.A O no hydrogen 2.817 N/A GLY 865.A N PHE 885.A O no hydrogen 3.039 N/A ARG 867.A N PRO 904.A O no hydrogen 2.971 N/A ARG 867.A NE GLY 865.A O no hydrogen 2.879 N/A ARG 867.A NH1 ILE 883.A O no hydrogen 3.044 N/A ARG 867.A NH2 GLY 865.A O no hydrogen 3.049 N/A ARG 867.A NH2 ASP 884.A O no hydrogen 2.920 N/A HIS 868.A N ASN 871.A OD1 no hydrogen 2.798 N/A ASN 869.A ND2 GLN 820.A OE1 no hydrogen 3.292 N/A SER 870.A N HIS 868.A ND1 no hydrogen 3.100 N/A ASN 871.A N HIS 868.A O no hydrogen 3.378 N/A ASN 871.A ND2 ASP 866.A O no hydrogen 2.930 N/A MET 873.A N VAL 881.A O no hydrogen 2.776 N/A VAL 874.A N HIS 814.A O no hydrogen 2.762 N/A LYS 875.A N GLN 879.A O no hydrogen 2.797 N/A ASP 876.A N ASN 812.A O no hydrogen 3.114 N/A GLY 878.A N LYS 875.A O no hydrogen 3.151 N/A GLN 879.A NE2 ARG 791.A O no hydrogen 2.763 N/A GLN 879.A NE2 LEU 880.A O no hydrogen 3.084 N/A LEU 880.A N SER 851.A OG no hydrogen 3.159 N/A VAL 881.A N MET 873.A O no hydrogen 2.780 N/A ILE 883.A N ASN 871.A O no hydrogen 3.036 N/A HIS 887.A ND1 GLU 963.A OE2 no hydrogen 2.792 N/A PHE 888.A N GLU 963.A OE2 no hydrogen 3.250 N/A LEU 889.A N LEU 862.A O no hydrogen 2.891 N/A HIS 891.A ND1 PHE 888.A O no hydrogen 2.976 N/A LYS 892.A NZ ASP 866.A OD2 no hydrogen 2.869 N/A PHE 896.A N LYS 892.A O no hydrogen 2.808 N/A GLY 897.A N LYS 893.A O no hydrogen 2.991 N/A ARG 900.A NE GLU 901.A O no hydrogen 3.220 N/A ARG 900.A NH2 GLU 901.A O no hydrogen 3.353 N/A ARG 902.A N TYR 972.A OH no hydrogen 3.376 N/A ARG 902.A NH1 ILE 864.A O no hydrogen 2.767 N/A ARG 902.A NH1 ASP 866.A OD1 no hydrogen 3.061 N/A ARG 902.A NH2 GLY 863.A O no hydrogen 2.978 N/A ARG 902.A NH2 ILE 864.A O no hydrogen 3.066 N/A LEU 907.A N HIS 998.A NE2 no hydrogen 2.859 N/A PHE 911.A N THR 908.A O no hydrogen 2.991 N/A LEU 912.A N THR 908.A O no hydrogen 2.976 N/A ILE 913.A N GLN 909.A O no hydrogen 2.734 N/A ILE 915.A N PHE 911.A O no hydrogen 3.127 N/A SER 916.A N LEU 912.A O no hydrogen 2.765 N/A SER 916.A OG CYS 922.A O no hydrogen 2.722 N/A SER 916.A OG THR 925.A OG1 no hydrogen 2.901 N/A LYS 917.A N VAL 914.A O no hydrogen 3.084 N/A LYS 917.A NZ ASP 842.A OD1 no hydrogen 3.306 N/A GLY 918.A N ILE 913.A O no hydrogen 2.868 N/A ALA 919.A N SER 916.A O no hydrogen 3.191 N/A CYS 922.A SG ALA 919.A O no hydrogen 3.622 N/A LYS 924.A N GLU 921.A O no hydrogen 3.367 N/A LYS 924.A NZ GLU 921.A OE1 no hydrogen 2.828 N/A THR 925.A OG1 SER 916.A OG no hydrogen 2.901 N/A THR 925.A OG1 CYS 922.A O no hydrogen 2.994 N/A PHE 928.A N THR 925.A OG1 no hydrogen 3.179 N/A GLU 929.A N THR 925.A O no hydrogen 3.349 N/A ARG 930.A N ARG 926.A O no hydrogen 2.991 N/A ARG 930.A NH2 ASP 846.A OD1 no hydrogen 3.013 N/A PHE 931.A N GLU 927.A O no hydrogen 3.033 N/A GLN 932.A N PHE 928.A O no hydrogen 2.968 N/A GLN 932.A NE2 PHE 928.A O no hydrogen 3.593 N/A GLU 933.A N GLU 929.A O no hydrogen 3.292 N/A MET 934.A N ARG 930.A O no hydrogen 3.024 N/A CYS 935.A N PHE 931.A O no hydrogen 3.211 N/A CYS 935.A SG PHE 931.A O no hydrogen 3.475 N/A TYR 936.A N GLN 932.A O no hydrogen 3.026 N/A TYR 936.A OH THR 1003.A O no hydrogen 2.797 N/A LYS 937.A N GLU 933.A O no hydrogen 2.972 N/A LYS 937.A NZ GLU 933.A OE2 no hydrogen 3.205 N/A ALA 938.A N MET 934.A O no hydrogen 2.949 N/A TYR 939.A N CYS 935.A O no hydrogen 2.911 N/A TYR 939.A OH THR 976.A O no hydrogen 2.679 N/A LEU 940.A N TYR 936.A O no hydrogen 3.129 N/A ALA 941.A N LYS 937.A O no hydrogen 2.980 N/A ILE 942.A N ALA 938.A O no hydrogen 3.254 N/A ARG 943.A N TYR 939.A O no hydrogen 2.967 N/A ARG 943.A NE LEU 977.A O no hydrogen 2.797 N/A ARG 943.A NH2 ALA 978.A O no hydrogen 2.737 N/A ARG 943.A NH2 LYS 981.A O no hydrogen 2.802 N/A GLN 944.A N LEU 940.A O no hydrogen 2.924 N/A GLN 944.A NE2 GLU 983.A OE1 no hydrogen 3.465 N/A GLN 944.A NE2 GLU 983.A OE2 no hydrogen 3.498 N/A HIS 945.A N ILE 942.A O no hydrogen 2.927 N/A HIS 945.A ND1 ALA 941.A O no hydrogen 2.757 N/A ALA 946.A N ARG 943.A O no hydrogen 3.279 N/A PHE 949.A N HIS 945.A O no hydrogen 3.508 N/A ILE 950.A N ALA 946.A O no hydrogen 2.834 N/A ASN 951.A N ASN 947.A O no hydrogen 2.881 N/A ASN 951.A ND2 GLU 555.A O no hydrogen 3.216 N/A LEU 952.A N LEU 948.A O no hydrogen 2.788 N/A PHE 953.A N PHE 949.A O no hydrogen 3.012 N/A SER 954.A N ILE 950.A O no hydrogen 2.891 N/A SER 954.A OG ILE 950.A O no hydrogen 2.921 N/A MET 955.A N ASN 951.A O no hydrogen 2.957 N/A MET 956.A N PHE 953.A O no hydrogen 3.038 N/A GLY 958.A N TYR 600.A OH no hydrogen 3.122 N/A SER 959.A N MET 956.A O no hydrogen 3.076 N/A SER 959.A OG MET 956.A O no hydrogen 3.030 N/A GLU 963.A N GLU 963.A OE1 no hydrogen 2.789 N/A LEU 964.A N MET 961.A O no hydrogen 3.098 N/A GLN 965.A N ASP 969.A OD2 no hydrogen 3.237 N/A SER 966.A N ASP 969.A OD2 no hydrogen 2.956 N/A SER 966.A OG ASP 969.A OD2 no hydrogen 3.179 N/A ASP 969.A N SER 966.A O no hydrogen 3.252 N/A ILE 970.A N PHE 967.A O no hydrogen 3.016 N/A ILE 973.A N ILE 970.A O no hydrogen 2.979 N/A ARG 974.A NE ASP 497.A OD2 no hydrogen 2.772 N/A ARG 974.A NH1 ASP 980.A OD2 no hydrogen 3.229 N/A ARG 974.A NH2 ASP 497.A OD1 no hydrogen 2.707 N/A ARG 974.A NH2 ASP 497.A OD2 no hydrogen 3.385 N/A ARG 974.A NH2 ASP 980.A OD1 no hydrogen 3.313 N/A LYS 975.A N ALA 971.A O no hydrogen 3.057 N/A LYS 975.A N TYR 972.A O no hydrogen 2.910 N/A THR 976.A N TYR 972.A O no hydrogen 2.828 N/A THR 976.A OG1 ILE 861.A O no hydrogen 2.843 N/A THR 976.A OG1 TYR 972.A O no hydrogen 3.337 N/A THR 976.A OG1 ILE 973.A O no hydrogen 3.423 N/A LEU 977.A N ILE 973.A O no hydrogen 2.994 N/A ALA 978.A N LYS 975.A O no hydrogen 2.890 N/A LEU 979.A N ARG 974.A O no hydrogen 3.163 N/A LYS 981.A N ALA 978.A O no hydrogen 3.170 N/A THR 982.A N GLU 985.A OE2 no hydrogen 3.018 N/A GLU 985.A N THR 982.A OG1 no hydrogen 3.092 N/A ALA 986.A N THR 982.A O no hydrogen 2.816 N/A LEU 987.A N GLU 983.A O no hydrogen 3.135 N/A GLU 988.A N GLN 984.A O no hydrogen 3.025 N/A TYR 989.A N GLU 985.A O no hydrogen 2.882 N/A TYR 989.A OH GLU 901.A OE1 no hydrogen 2.719 N/A PHE 990.A N ALA 986.A O no hydrogen 2.978 N/A MET 991.A N LEU 987.A O no hydrogen 3.136 N/A LYS 992.A N GLU 988.A O no hydrogen 2.900 N/A LYS 992.A NZ ASP 996.A OD2 no hydrogen 3.460 N/A GLN 993.A N TYR 989.A O no hydrogen 3.049 N/A MET 994.A N PHE 990.A O no hydrogen 3.230 N/A ASN 995.A N MET 991.A O no hydrogen 2.864 N/A ASN 995.A ND2 MET 991.A O no hydrogen 3.256 N/A ASN 995.A ND2 TRP 1002.A O no hydrogen 2.770 N/A ASP 996.A N LYS 992.A O no hydrogen 2.781 N/A ALA 997.A N GLN 993.A O no hydrogen 3.089 N/A HIS 998.A N MET 994.A O no hydrogen 2.815 N/A HIS 998.A ND1 MET 994.A O no hydrogen 2.775 N/A GLY 1000.A N ASN 995.A O no hydrogen 3.086 N/A TRP 1002.A N ASN 995.A OD1 no hydrogen 3.151 N/A THR 1003.A N GLN 932.A OE1 no hydrogen 2.902 N/A LYS 1005.A N THR 1004.A OG1 no hydrogen 2.770 N/A