Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s8a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N LEU 2.A O no hydrogen 2.645 N/A ARG 5.A N LEU 2.A O no hydrogen 3.010 N/A ASN 10.A N ILE 6.A O no hydrogen 3.212 N/A HIS 12.A N ILE 8.A O no hydrogen 3.272 N/A HIS 12.A ND1 ILE 8.A O no hydrogen 3.209 N/A LYS 13.A N ASN 10.A O no hydrogen 3.137 N/A GLN 14.A N ASN 10.A O no hydrogen 3.212 N/A THR 15.A OG1 LEU 11.A O no hydrogen 2.730 N/A SER 20.A N ASN 57.A OD1 no hydrogen 2.940 N/A VAL 22.A N GLN 18.A O no hydrogen 3.263 N/A VAL 23.A N PHE 19.A O no hydrogen 3.016 N/A GLU 24.A N SER 20.A O no hydrogen 3.053 N/A ASP 25.A N LYS 21.A O no hydrogen 3.045 N/A LEU 26.A N VAL 22.A O no hydrogen 3.087 N/A TYR 27.A N VAL 23.A O no hydrogen 2.769 N/A TYR 27.A OH ASP 43.A OD2 no hydrogen 2.831 N/A ARG 28.A N GLU 24.A O no hydrogen 3.189 N/A ARG 28.A NE GLU 24.A OE2 no hydrogen 2.744 N/A ARG 28.A NH2 TYR 46.A OH no hydrogen 3.026 N/A TYR 29.A N LEU 26.A O no hydrogen 2.920 N/A TYR 29.A OH ASN 85.A OD1 no hydrogen 3.320 N/A ASN 31.A N LYS 36.A O no hydrogen 2.957 N/A ALA 33.A N ASN 31.A OD1 no hydrogen 3.075 N/A THR 34.A N ASN 31.A O no hydrogen 3.347 N/A ALA 38.A N TYR 29.A O no hydrogen 2.922 N/A SER 42.A N GLY 134.A O no hydrogen 3.431 N/A TYR 46.A N SER 42.A O no hydrogen 2.832 N/A TYR 46.A OH GLU 24.A OE1 no hydrogen 3.367 N/A ASN 47.A N ASP 43.A O no hydrogen 2.991 N/A ILE 48.A N ASP 44.A O no hydrogen 3.244 N/A VAL 49.A N VAL 45.A O no hydrogen 2.887 N/A MET 50.A N TYR 46.A O no hydrogen 3.136 N/A GLU 51.A N ASN 47.A O no hydrogen 3.030 N/A ASN 52.A N VAL 49.A O no hydrogen 3.133 N/A LYS 53.A N MET 50.A O no hydrogen 3.167 N/A LYS 55.A NZ GLU 109.A OE1 no hydrogen 3.283 N/A LEU 56.A N ASN 52.A O no hydrogen 3.021 N/A LEU 56.A N LYS 53.A O no hydrogen 3.324 N/A ASN 57.A N LYS 53.A O no hydrogen 2.995 N/A ASN 57.A ND2 SER 20.A OG no hydrogen 2.953 N/A SER 58.A OG ASP 54.A O no hydrogen 2.719 N/A ALA 59.A N LEU 56.A O no hydrogen 3.036 N/A TYR 62.A OH HIS 94.A NE2 no hydrogen 2.998 N/A ARG 64.A N VAL 61.A O no hydrogen 3.094 N/A ARG 64.A NH1 ASN 116.A OD1 no hydrogen 2.818 N/A ASP 65.A N TYR 62.A O no hydrogen 3.226 N/A GLY 72.A N SER 69.A OG no hydrogen 3.169 N/A PHE 73.A N SER 69.A O no hydrogen 3.210 N/A LYS 74.A N TYR 70.A O no hydrogen 3.280 N/A LYS 74.A NZ GLU 77.A OE2 no hydrogen 3.366 N/A THR 75.A OG1 PHE 71.A O no hydrogen 2.298 N/A THR 75.A OG1 GLN 538.A OE1 no hydrogen 2.867 N/A GLU 77.A N PHE 73.A O no hydrogen 2.725 N/A ARG 78.A N LYS 74.A O no hydrogen 3.252 N/A SER 79.A N THR 75.A O no hydrogen 3.359 N/A SER 79.A OG THR 75.A O no hydrogen 3.339 N/A TYR 80.A N LEU 76.A O no hydrogen 2.945 N/A TYR 80.A OH SER 127.A OG no hydrogen 2.426 N/A LEU 81.A N LEU 76.A O no hydrogen 3.020 N/A LEU 82.A N GLU 90.A OE1 no hydrogen 3.147 N/A ARG 83.A NH2 GLU 77.A OE1 no hydrogen 3.508 N/A ARG 83.A NH2 ARG 78.A O no hydrogen 3.491 N/A ALA 89.A N LEU 82.A O no hydrogen 3.172 N/A GLU 90.A N LEU 82.A O no hydrogen 3.467 N/A ARG 91.A N HIS 94.A ND1 no hydrogen 3.263 N/A HIS 94.A N ARG 91.A O no hydrogen 2.812 N/A LEU 95.A N ARG 91.A O no hydrogen 3.133 N/A ILE 96.A N PRO 92.A O no hydrogen 3.205 N/A ARG 98.A N HIS 94.A O no hydrogen 2.902 N/A ARG 98.A NE GLU 90.A OE1 no hydrogen 3.421 N/A ARG 98.A NE GLU 90.A OE2 no hydrogen 2.818 N/A ARG 98.A NH1 LEU 130.A O no hydrogen 3.331 N/A ARG 98.A NH1 ALA 133.A O no hydrogen 2.653 N/A ARG 98.A NH2 GLU 90.A OE1 no hydrogen 2.958 N/A ARG 98.A NH2 LEU 130.A O no hydrogen 3.391 N/A VAL 99.A N LEU 95.A O no hydrogen 2.894 N/A ALA 100.A N ILE 96.A O no hydrogen 2.806 N/A LEU 101.A N MET 97.A O no hydrogen 2.976 N/A GLY 102.A N ARG 98.A O no hydrogen 2.703 N/A ILE 103.A N VAL 99.A O no hydrogen 3.007 N/A HIS 104.A N ALA 100.A O no hydrogen 2.937 N/A HIS 104.A NE2 THR 114.A OG1 no hydrogen 2.727 N/A GLY 105.A N LEU 101.A O no hydrogen 3.142 N/A ARG 106.A NH1 GLU 51.A OE1 no hydrogen 2.697 N/A ASP 107.A N HIS 104.A O no hydrogen 3.324 N/A ALA 110.A N ASP 107.A OD2 no hydrogen 3.195 N/A ALA 111.A N ASP 107.A O no hydrogen 3.161 N/A LEU 112.A N ILE 108.A O no hydrogen 3.122 N/A GLU 113.A N GLU 109.A O no hydrogen 3.235 N/A THR 114.A N ALA 110.A O no hydrogen 2.796 N/A THR 114.A OG1 HIS 104.A NE2 no hydrogen 2.727 N/A THR 114.A OG1 ALA 110.A O no hydrogen 3.242 N/A THR 114.A OG1 ASN 405.A OD1 no hydrogen 3.289 N/A TYR 115.A N ALA 111.A O no hydrogen 2.708 N/A ASN 116.A N LEU 112.A O no hydrogen 3.119 N/A LEU 117.A N GLU 113.A O no hydrogen 3.381 N/A MET 118.A N THR 114.A O no hydrogen 3.224 N/A SER 119.A N TYR 115.A O no hydrogen 3.070 N/A SER 119.A OG TYR 115.A O no hydrogen 2.566 N/A SER 119.A OG ASN 116.A O no hydrogen 3.014 N/A LEU 120.A N ASN 116.A O no hydrogen 2.957 N/A LYS 121.A N MET 118.A O no hydrogen 3.308 N/A LYS 121.A NZ GLN 67.A O no hydrogen 2.834 N/A LYS 121.A NZ LEU 540.A O no hydrogen 2.871 N/A TYR 122.A N LEU 117.A O no hydrogen 2.841 N/A THR 124.A N SER 372.A O no hydrogen 2.947 N/A ALA 126.A N LEU 370.A O no hydrogen 3.315 N/A SER 127.A OG TYR 80.A OH no hydrogen 2.426 N/A THR 129.A OG1 MET 140.A O no hydrogen 2.725 N/A LEU 130.A N ALA 126.A O no hydrogen 3.199 N/A PHE 131.A N SER 127.A O no hydrogen 3.035 N/A ASN 132.A N PRO 128.A O no hydrogen 3.053 N/A ALA 133.A N THR 129.A O no hydrogen 2.844 N/A THR 135.A N ASN 132.A O no hydrogen 3.063 N/A THR 135.A OG1 ASN 132.A O no hydrogen 2.700 N/A GLN 139.A NE2 SER 141.A OG no hydrogen 3.172 N/A GLN 139.A NE2 ASN 413.A OD1 no hydrogen 3.334 N/A MET 140.A N ASN 413.A OD1 no hydrogen 2.821 N/A SER 141.A OG ASN 369.A OD1 no hydrogen 2.814 N/A CYS 143.A SG CYS 368.A O no hydrogen 3.580 N/A LEU 145.A N ALA 366.A O no hydrogen 2.722 N/A VAL 146.A N GLY 174.A O no hydrogen 2.563 N/A LYS 149.A N THR 159.A OG1 no hydrogen 3.077 N/A LYS 149.A NZ PRO 362.A O no hydrogen 2.953 N/A LYS 149.A NZ GLU 419.A OE2 no hydrogen 2.413 N/A SER 152.A N GLU 150.A O no hydrogen 2.743 N/A SER 152.A OG GLU 150.A OE2 no hydrogen 2.620 N/A GLY 155.A N SER 152.A OG no hydrogen 2.845 N/A ILE 156.A N SER 152.A O no hydrogen 2.760 N/A TYR 157.A N ILE 153.A O no hydrogen 2.753 N/A ASP 158.A N GLU 154.A O no hydrogen 2.826 N/A THR 159.A N GLY 155.A O no hydrogen 2.984 N/A THR 159.A OG1 GLY 155.A O no hydrogen 2.607 N/A LEU 160.A N ILE 156.A O no hydrogen 2.955 N/A LEU 160.A N TYR 157.A O no hydrogen 3.213 N/A LYS 161.A N TYR 157.A O no hydrogen 3.062 N/A GLU 162.A N ASP 158.A O no hydrogen 3.321 N/A CYS 163.A N THR 159.A O no hydrogen 3.032 N/A CYS 163.A SG THR 159.A O no hydrogen 3.243 N/A ALA 164.A N LEU 160.A O no hydrogen 3.144 N/A LEU 165.A N LYS 161.A O no hydrogen 2.730 N/A ILE 166.A N GLU 162.A O no hydrogen 2.844 N/A SER 167.A N CYS 163.A O no hydrogen 2.775 N/A SER 167.A OG VAL 211.A O no hydrogen 3.540 N/A THR 169.A OG1 ILE 166.A O no hydrogen 3.133 N/A GLY 172.A N SER 142.A O no hydrogen 2.887 N/A GLY 174.A N PHE 144.A O no hydrogen 2.655 N/A LEU 175.A N ALA 223.A O no hydrogen 2.796 N/A HIS 176.A N VAL 146.A O no hydrogen 3.359 N/A ILE 177.A N TYR 225.A O no hydrogen 3.217 N/A HIS 178.A NE2 LYS 348.A O no hydrogen 2.738 N/A ASN 179.A ND2 MET 148.A O no hydrogen 3.685 N/A ILE 180.A N ILE 177.A O no hydrogen 3.137 N/A ARG 181.A N ASP 151.A OD2 no hydrogen 3.006 N/A ARG 181.A NE ASP 151.A OD1 no hydrogen 2.851 N/A ARG 181.A NH1 TYR 186.A O no hydrogen 2.871 N/A ARG 181.A NH2 ASP 151.A OD1 no hydrogen 3.272 N/A THR 183.A N ASP 232.A OD1 no hydrogen 3.223 N/A THR 183.A N ASP 232.A OD2 no hydrogen 3.177 N/A THR 183.A OG1 ASP 232.A OD1 no hydrogen 2.472 N/A GLY 184.A N SER 194.A O no hydrogen 2.619 N/A SER 185.A N SER 182.A O no hydrogen 3.043 N/A SER 185.A OG SER 182.A O no hydrogen 3.189 N/A SER 185.A OG SER 277.A OG no hydrogen 2.864 N/A ILE 187.A N GLY 192.A O no hydrogen 2.782 N/A GLY 192.A N ILE 187.A O no hydrogen 3.180 N/A THR 193.A OG1 GLY 184.A O no hydrogen 3.455 N/A SER 194.A N SER 185.A O no hydrogen 3.093 N/A GLY 196.A N SER 194.A OG no hydrogen 2.778 N/A ILE 201.A N LEU 197.A O no hydrogen 2.936 N/A ARG 202.A N ILE 198.A O no hydrogen 2.889 N/A ARG 202.A NE ARG 249.A O no hydrogen 3.530 N/A ARG 202.A NH2 GLU 246.A O no hydrogen 3.191 N/A ARG 202.A NH2 GLU 246.A OE2 no hydrogen 2.980 N/A VAL 203.A N PRO 199.A O no hydrogen 3.181 N/A PHE 204.A N MET 200.A O no hydrogen 3.420 N/A ASN 205.A N ILE 201.A O no hydrogen 2.822 N/A ASN 206.A N ARG 202.A O no hydrogen 2.934 N/A THR 207.A N VAL 203.A O no hydrogen 2.869 N/A ALA 208.A N PHE 204.A O no hydrogen 2.754 N/A ARG 209.A N ASN 205.A O no hydrogen 3.065 N/A TYR 210.A N ASN 206.A O no hydrogen 3.037 N/A VAL 211.A N THR 207.A O no hydrogen 3.005 N/A ASP 212.A N TYR 210.A O no hydrogen 2.866 N/A GLY 215.A N ASP 212.A O no hydrogen 2.742 N/A ASN 216.A N ASP 212.A OD1 no hydrogen 3.111 N/A ASN 216.A N ASP 212.A OD2 no hydrogen 3.071 N/A GLY 220.A N ALA 208.A O no hydrogen 2.937 N/A ALA 223.A N ILE 173.A O no hydrogen 2.815 N/A LEU 224.A N PHE 254.A O no hydrogen 2.821 N/A TYR 225.A N LEU 175.A O no hydrogen 2.881 N/A TYR 225.A OH ASN 351.A O no hydrogen 2.508 N/A LEU 226.A N ALA 256.A O no hydrogen 3.187 N/A HIS 230.A N GLU 227.A O no hydrogen 2.855 N/A HIS 230.A NE2 ILE 180.A O no hydrogen 2.785 N/A ALA 231.A N PHE 276.A O no hydrogen 2.905 N/A ASP 232.A N HIS 230.A ND1 no hydrogen 3.175 N/A ILE 233.A N HIS 230.A O no hydrogen 3.041 N/A PHE 236.A N ASP 232.A O no hydrogen 3.114 N/A ILE 237.A N ILE 233.A O no hydrogen 3.161 N/A ARG 240.A NH1 LEU 253.A O no hydrogen 2.845 N/A LYS 241.A N ASP 238.A O no hydrogen 2.811 N/A LYS 241.A NZ ASP 238.A OD1 no hydrogen 3.509 N/A LYS 241.A NZ ASP 238.A OD2 no hydrogen 3.500 N/A LYS 241.A NZ GLU 319.A OE2 no hydrogen 2.593 N/A HIS 243.A NE2 GLU 323.A OE2 no hydrogen 2.850 N/A ILE 248.A N LYS 245.A O no hydrogen 2.799 N/A ARG 249.A N GLU 246.A O no hydrogen 3.298 N/A ALA 250.A N ILE 239.A O no hydrogen 2.975 N/A ASP 252.A N ASN 205.A OD1 no hydrogen 3.102 N/A LEU 253.A N ALA 250.A O no hydrogen 3.476 N/A PHE 254.A N PHE 222.A O no hydrogen 2.841 N/A ALA 256.A N LEU 224.A O no hydrogen 2.735 N/A LEU 257.A N PHE 328.A O no hydrogen 2.861 N/A TRP 258.A N LEU 226.A O no hydrogen 2.674 N/A ILE 259.A N VAL 330.A O no hydrogen 2.907 N/A ASP 261.A N ASP 333.A OD2 no hydrogen 2.879 N/A PHE 263.A N PRO 260.A O no hydrogen 2.851 N/A LYS 265.A N ASP 261.A O no hydrogen 2.896 N/A LYS 265.A NZ GLU 293.A OE1 no hydrogen 3.436 N/A LYS 265.A NZ GLU 293.A OE2 no hydrogen 2.892 N/A ARG 266.A N LEU 262.A O no hydrogen 2.916 N/A ARG 266.A NH1 THR 272.A O no hydrogen 3.061 N/A ARG 266.A NH1 GLU 300.A OE1 no hydrogen 3.121 N/A VAL 267.A N PHE 263.A O no hydrogen 3.049 N/A GLU 268.A N MET 264.A O no hydrogen 3.062 N/A GLU 269.A N LYS 265.A O no hydrogen 2.793 N/A ASN 270.A N VAL 267.A O no hydrogen 3.212 N/A GLY 271.A N ARG 266.A O no hydrogen 2.943 N/A THR 272.A OG1 GLU 300.A OE1 no hydrogen 3.287 N/A TRP 273.A N ILE 308.A O no hydrogen 2.941 N/A TRP 273.A NE1 PRO 228.A O no hydrogen 3.033 N/A THR 274.A N TYR 296.A OH no hydrogen 3.059 N/A THR 274.A OG1 GLU 300.A OE1 no hydrogen 3.137 N/A THR 274.A OG1 THR 307.A OG1 no hydrogen 2.901 N/A LEU 275.A N LYS 306.A O no hydrogen 2.853 N/A PHE 276.A N TRP 229.A O no hydrogen 2.733 N/A SER 277.A OG SER 185.A OG no hydrogen 2.864 N/A SER 277.A OG THR 279.A OG1 no hydrogen 2.940 N/A THR 279.A N SER 277.A OG no hydrogen 3.298 N/A THR 279.A OG1 SER 277.A OG no hydrogen 2.940 N/A SER 280.A N SER 277.A O no hydrogen 2.763 N/A ALA 281.A N SER 277.A O no hydrogen 3.147 N/A ASP 286.A N GLY 283.A O no hydrogen 2.953 N/A CYS 287.A SG GLY 283.A O no hydrogen 3.858 N/A GLY 289.A N ASP 333.A OD1 no hydrogen 2.605 N/A PHE 292.A N TYR 288.A O no hydrogen 2.994 N/A GLU 293.A N GLY 289.A O no hydrogen 3.174 N/A ALA 294.A N ASP 290.A O no hydrogen 2.910 N/A LEU 295.A N GLU 291.A O no hydrogen 3.117 N/A TYR 296.A N PHE 292.A O no hydrogen 2.662 N/A TYR 296.A OH THR 274.A O no hydrogen 2.641 N/A THR 297.A N GLU 293.A O no hydrogen 2.788 N/A THR 297.A OG1 GLU 293.A O no hydrogen 2.590 N/A ARG 298.A N ALA 294.A O no hydrogen 3.323 N/A ARG 298.A NE GLU 302.A OE2 no hydrogen 2.929 N/A TYR 299.A N LEU 295.A O no hydrogen 3.051 N/A TYR 299.A OH PRO 282.A O no hydrogen 2.658 N/A GLU 300.A N TYR 296.A O no hydrogen 3.019 N/A LYS 301.A N THR 297.A O no hydrogen 3.175 N/A GLU 302.A N ARG 298.A O no hydrogen 2.927 N/A GLY 303.A N GLU 300.A O no hydrogen 2.648 N/A ARG 304.A N TYR 299.A O no hydrogen 3.365 N/A ARG 304.A NE SER 280.A O no hydrogen 3.067 N/A ARG 304.A NH1 GLU 302.A OE1 no hydrogen 2.785 N/A ARG 304.A NH2 SER 280.A O no hydrogen 3.451 N/A LYS 306.A N LEU 275.A O no hydrogen 2.988 N/A THR 307.A OG1 THR 274.A OG1 no hydrogen 2.901 N/A ILE 308.A N TRP 273.A O no hydrogen 2.804 N/A ALA 310.A N GLY 271.A O no hydrogen 2.982 N/A GLN 311.A NE2 VAL 267.A O no hydrogen 3.062 N/A LYS 312.A N LYS 309.A O no hydrogen 2.688 N/A TRP 314.A N ALA 310.A O no hydrogen 3.358 N/A TRP 314.A NE1 THR 643.A OG1 no hydrogen 3.347 N/A TYR 315.A N GLN 311.A O no hydrogen 2.923 N/A SER 316.A N LYS 312.A O no hydrogen 3.037 N/A SER 316.A OG LYS 312.A O no hydrogen 3.525 N/A ILE 317.A N LEU 313.A O no hydrogen 2.966 N/A LEU 318.A N TRP 314.A O no hydrogen 2.990 N/A GLU 319.A N TYR 315.A O no hydrogen 2.941 N/A ALA 320.A N SER 316.A O no hydrogen 3.095 N/A GLN 321.A N ILE 317.A O no hydrogen 2.961 N/A GLN 321.A NE2 PRO 327.A O no hydrogen 3.196 N/A THR 322.A N LEU 318.A O no hydrogen 3.011 N/A THR 322.A OG1 LEU 318.A O no hydrogen 2.817 N/A GLU 323.A N GLU 319.A O no hydrogen 3.322 N/A THR 324.A N ALA 320.A O no hydrogen 2.846 N/A THR 324.A OG1 ALA 320.A O no hydrogen 2.969 N/A THR 324.A OG1 THR 326.A OG1 no hydrogen 2.748 N/A GLY 325.A N GLN 321.A O no hydrogen 2.705 N/A THR 326.A OG1 THR 324.A OG1 no hydrogen 2.748 N/A PHE 328.A N PRO 255.A O no hydrogen 3.204 N/A VAL 329.A N MET 658.A O no hydrogen 2.788 N/A VAL 330.A N LEU 257.A O no hydrogen 3.075 N/A TYR 331.A N LYS 655.A O no hydrogen 2.493 N/A TYR 331.A OH HIS 646.A O no hydrogen 3.130 N/A LYS 332.A N ILE 259.A O no hydrogen 2.996 N/A LYS 332.A NZ GLU 227.A OE1 no hydrogen 2.788 N/A LYS 332.A NZ GLU 227.A OE2 no hydrogen 3.546 N/A LYS 332.A NZ LEU 284.A O no hydrogen 3.099 N/A LYS 332.A NZ CYS 287.A O no hydrogen 2.678 N/A CYS 335.A N TYR 331.A O no hydrogen 3.052 N/A CYS 335.A SG TYR 331.A O no hydrogen 3.395 N/A ASN 336.A N LYS 332.A O no hydrogen 3.093 N/A ASN 336.A ND2 LYS 332.A O no hydrogen 3.073 N/A ASN 336.A ND2 ILE 347.A O no hydrogen 3.308 N/A ARG 337.A N ASP 333.A O no hydrogen 2.677 N/A LYS 338.A N ALA 334.A O no hydrogen 3.317 N/A ASN 340.A ND2 SER 525.A O no hydrogen 2.808 N/A GLN 341.A N SER 339.A OG no hydrogen 2.877 N/A GLN 341.A NE2 SER 525.A OG no hydrogen 2.405 N/A LYS 342.A N SER 339.A O no hydrogen 3.261 N/A LYS 342.A NZ ARG 337.A O no hydrogen 2.726 N/A ASN 343.A ND2 THR 484.A O no hydrogen 2.779 N/A ASN 343.A ND2 GLN 486.A O no hydrogen 3.549 N/A LEU 344.A N GLN 341.A O no hydrogen 2.839 N/A GLY 345.A N LYS 342.A O no hydrogen 3.163 N/A ILE 347.A N ASN 336.A OD1 no hydrogen 3.124 N/A LYS 348.A NZ ASP 286.A OD1 no hydrogen 3.246 N/A LYS 348.A NZ VAL 346.A O no hydrogen 3.035 N/A SER 349.A OG SER 350.A O no hydrogen 3.403 N/A SER 350.A OG ILE 356.A O no hydrogen 2.636 N/A ASN 351.A ND2 GLU 355.A OE2 no hydrogen 3.080 N/A CYS 353.A SG TYR 659.A OH no hydrogen 3.747 N/A GLU 355.A N ASN 351.A OD1 no hydrogen 2.916 N/A GLU 355.A N GLU 355.A OE2 no hydrogen 2.979 N/A ILE 356.A N ASN 351.A OD1 no hydrogen 3.142 N/A VAL 357.A N GLN 626.A OE1 no hydrogen 2.817 N/A TYR 359.A N GLN 341.A OE1 no hydrogen 2.781 N/A ALA 361.A N GLU 364.A O no hydrogen 3.030 N/A GLU 364.A N ALA 361.A O no hydrogen 2.824 N/A THR 365.A N GLU 419.A O no hydrogen 3.198 N/A THR 365.A OG1 GLU 162.A OE2 no hydrogen 2.682 N/A ALA 366.A N LEU 145.A O no hydrogen 2.990 N/A CYS 368.A N CYS 143.A O no hydrogen 3.187 N/A CYS 368.A SG GLU 358.A OE2 no hydrogen 3.321 N/A CYS 368.A SG ASN 369.A O no hydrogen 4.007 N/A CYS 368.A SG PRO 429.A O no hydrogen 3.465 N/A ASN 369.A ND2 PRO 429.A O no hydrogen 3.695 N/A ALA 371.A N ALA 431.A O no hydrogen 3.413 N/A SER 372.A N THR 124.A O no hydrogen 3.058 N/A VAL 373.A N GLY 433.A O no hydrogen 2.987 N/A ALA 374.A N TYR 122.A O no hydrogen 3.055 N/A LEU 375.A N GLN 435.A O no hydrogen 2.920 N/A ALA 377.A N ALA 374.A O no hydrogen 3.077 N/A ILE 379.A N PRO 376.A O no hydrogen 2.916 N/A GLU 380.A N THR 389.A O no hydrogen 2.781 N/A SER 382.A N THR 387.A O no hydrogen 2.761 N/A THR 389.A N GLU 380.A O no hydrogen 2.765 N/A THR 389.A OG1 GLU 380.A O no hydrogen 3.142 N/A TYR 390.A OH LEU 375.A O no hydrogen 2.787 N/A ASN 391.A N PHE 378.A O no hydrogen 2.920 N/A ASN 391.A ND2 GLU 380.A OE2 no hydrogen 3.013 N/A PHE 392.A N TYR 390.A O no hydrogen 3.192 N/A LYS 394.A N ASN 391.A OD1 no hydrogen 2.804 N/A LYS 394.A NZ GLU 397.A OE2 no hydrogen 3.305 N/A LEU 395.A N ASN 391.A O no hydrogen 3.192 N/A HIS 396.A N PHE 392.A O no hydrogen 3.035 N/A HIS 396.A NE2 HIS 466.A ND1 no hydrogen 2.632 N/A GLU 397.A N LYS 393.A O no hydrogen 3.063 N/A ILE 398.A N LYS 394.A O no hydrogen 2.628 N/A ALA 399.A N LEU 395.A O no hydrogen 2.857 N/A LYS 400.A N HIS 396.A O no hydrogen 3.160 N/A LYS 400.A NZ GLU 470.A OE2 no hydrogen 2.616 N/A LYS 400.A NZ GLU 474.A OE1 no hydrogen 3.562 N/A LYS 400.A NZ GLU 474.A OE2 no hydrogen 3.486 N/A VAL 402.A N ILE 398.A O no hydrogen 3.244 N/A THR 403.A N ALA 399.A O no hydrogen 2.872 N/A THR 403.A OG1 ALA 399.A O no hydrogen 2.980 N/A ARG 404.A N LYS 400.A O no hydrogen 3.010 N/A ARG 404.A NH1 GLU 474.A OE2 no hydrogen 3.160 N/A ASN 405.A N VAL 401.A O no hydrogen 2.713 N/A ASN 405.A ND2 THR 114.A OG1 no hydrogen 3.099 N/A ASN 405.A ND2 HIS 125.A NE2 no hydrogen 3.498 N/A LEU 406.A N VAL 402.A O no hydrogen 2.781 N/A ASN 407.A N THR 403.A O no hydrogen 3.259 N/A ASN 407.A ND2 THR 403.A O no hydrogen 3.539 N/A ASN 407.A ND2 ASN 524.A OD1 no hydrogen 3.053 N/A ARG 408.A N ARG 404.A O no hydrogen 3.302 N/A ARG 408.A NH2 ASP 107.A OD1 no hydrogen 2.809 N/A VAL 409.A N ASN 405.A O no hydrogen 3.270 N/A ILE 410.A N LEU 406.A O no hydrogen 3.326 N/A ASP 411.A N ASN 407.A O no hydrogen 3.291 N/A ARG 412.A N ARG 408.A O no hydrogen 2.740 N/A ARG 412.A NE GLY 102.A O no hydrogen 3.167 N/A ARG 412.A NE ILE 103.A O no hydrogen 3.181 N/A ARG 412.A NH1 ASP 44.A OD1 no hydrogen 3.080 N/A ARG 412.A NH2 ASP 44.A OD1 no hydrogen 3.214 N/A ARG 412.A NH2 LEU 101.A O no hydrogen 3.493 N/A ARG 412.A NH2 GLY 102.A O no hydrogen 3.235 N/A TYR 414.A N PRO 138.A O no hydrogen 2.721 N/A TYR 415.A OH ILE 410.A O no hydrogen 2.637 N/A GLU 419.A N GLU 419.A OE1 no hydrogen 2.929 N/A ALA 420.A N VAL 417.A O no hydrogen 2.949 N/A ARG 421.A NE GLU 418.A OE2 no hydrogen 3.172 N/A ARG 421.A NH2 GLU 418.A OE1 no hydrogen 2.711 N/A LYS 422.A N GLU 418.A O no hydrogen 2.975 N/A LYS 422.A NZ ASP 363.A OD1 no hydrogen 2.917 N/A LYS 422.A NZ GLU 364.A OE2 no hydrogen 3.435 N/A SER 423.A N GLU 419.A O no hydrogen 3.007 N/A SER 423.A OG THR 365.A O no hydrogen 2.943 N/A ASN 424.A N ALA 420.A O no hydrogen 2.889 N/A ASN 424.A ND2 TYR 415.A OH no hydrogen 3.037 N/A MET 425.A N ARG 421.A O no hydrogen 2.998 N/A ARG 426.A N LYS 422.A O no hydrogen 3.277 N/A ARG 426.A N SER 423.A O no hydrogen 3.157 N/A ARG 426.A NH1 GLU 483.A OE2 no hydrogen 3.040 N/A HIS 427.A N SER 423.A O no hydrogen 3.234 N/A HIS 427.A NE2 GLU 364.A OE1 no hydrogen 2.548 N/A ARG 428.A N ASN 424.A O no hydrogen 2.926 N/A ARG 428.A NH2 ASP 411.A OD1 no hydrogen 2.560 N/A ILE 430.A N LEU 526.A O no hydrogen 3.135 N/A ALA 431.A N ASN 369.A O no hydrogen 2.912 N/A LEU 432.A N THR 527.A O no hydrogen 2.831 N/A GLY 433.A N ALA 371.A O no hydrogen 3.087 N/A GLN 435.A N VAL 373.A O no hydrogen 2.778 N/A GLN 435.A NE2 SER 372.A OG no hydrogen 3.361 N/A GLY 436.A N ASN 543.A O no hydrogen 3.293 N/A THR 440.A N GLY 436.A O no hydrogen 2.701 N/A THR 440.A OG1 GLY 436.A O no hydrogen 2.667 N/A PHE 441.A N LEU 437.A O no hydrogen 3.010 N/A MET 442.A N ALA 438.A O no hydrogen 3.053 N/A LEU 443.A N ASP 439.A O no hydrogen 2.677 N/A LEU 444.A N THR 440.A O no hydrogen 3.108 N/A ARG 445.A N MET 442.A O no hydrogen 2.839 N/A ARG 445.A NH1 GLU 597.A OE1 no hydrogen 2.851 N/A LEU 446.A N PHE 441.A O no hydrogen 3.150 N/A SER 450.A N PRO 447.A O no hydrogen 3.011 N/A SER 450.A OG PRO 447.A O no hydrogen 2.705 N/A ALA 453.A N SER 450.A OG no hydrogen 3.018 N/A ARG 454.A N SER 450.A O no hydrogen 3.188 N/A ARG 454.A NH1 GLU 451.A OE2 no hydrogen 3.336 N/A LEU 455.A N GLU 451.A O no hydrogen 2.920 N/A LEU 456.A N GLU 452.A O no hydrogen 2.766 N/A ASN 457.A N ALA 453.A O no hydrogen 2.776 N/A ASN 457.A ND2 MET 616.A O no hydrogen 3.443 N/A ILE 458.A N ARG 454.A O no hydrogen 3.417 N/A GLN 459.A N LEU 455.A O no hydrogen 3.124 N/A GLN 459.A N LEU 456.A O no hydrogen 2.876 N/A ILE 460.A N LEU 456.A O no hydrogen 2.889 N/A PHE 461.A N ASN 457.A O no hydrogen 3.305 N/A GLU 462.A N ILE 458.A O no hydrogen 3.050 N/A THR 463.A N GLN 459.A O no hydrogen 3.015 N/A ILE 464.A N ILE 460.A O no hydrogen 3.077 N/A TYR 465.A N PHE 461.A O no hydrogen 3.164 N/A HIS 466.A N GLU 462.A O no hydrogen 2.897 N/A HIS 466.A ND1 HIS 396.A NE2 no hydrogen 2.632 N/A ALA 467.A N THR 463.A O no hydrogen 2.872 N/A SER 468.A N ILE 464.A O no hydrogen 2.980 N/A SER 468.A OG ILE 464.A O no hydrogen 3.051 N/A SER 468.A OG TYR 465.A O no hydrogen 3.089 N/A SER 468.A OG THR 527.A OG1 no hydrogen 3.161 N/A MET 469.A N TYR 465.A O no hydrogen 2.961 N/A GLU 470.A N HIS 466.A O no hydrogen 3.020 N/A ALA 471.A N ALA 467.A O no hydrogen 2.952 N/A SER 472.A OG ASN 524.A OD1 no hydrogen 2.713 N/A CYS 473.A N MET 469.A O no hydrogen 2.858 N/A CYS 473.A SG GLY 521.A O no hydrogen 3.752 N/A GLU 474.A N GLU 470.A O no hydrogen 3.023 N/A LEU 475.A N ALA 471.A O no hydrogen 3.167 N/A ALA 476.A N SER 472.A O no hydrogen 3.304 N/A GLN 477.A N CYS 473.A O no hydrogen 2.994 N/A LYS 478.A N GLU 474.A O no hydrogen 3.095 N/A LYS 478.A N LEU 475.A O no hydrogen 2.945 N/A LYS 478.A NZ GLU 474.A O no hydrogen 3.548 N/A ASP 479.A N LEU 475.A O no hydrogen 2.565 N/A GLY 480.A N ALA 476.A O no hydrogen 2.977 N/A TYR 482.A N VAL 522.A O no hydrogen 3.456 N/A PHE 485.A N TYR 482.A O no hydrogen 3.246 N/A SER 488.A N PHE 485.A O no hydrogen 3.047 N/A SER 488.A OG PHE 485.A O no hydrogen 2.964 N/A SER 491.A N SER 488.A O no hydrogen 2.912 N/A SER 491.A N SER 488.A OG no hydrogen 3.122 N/A SER 491.A OG SER 488.A O no hydrogen 2.589 N/A SER 491.A OG GLN 492.A OE1 no hydrogen 3.004 N/A GLN 492.A N SER 488.A O no hydrogen 3.489 N/A GLY 493.A N ALA 490.A O no hydrogen 2.928 N/A ILE 494.A N PRO 489.A O no hydrogen 2.733 N/A LEU 495.A N ASP 498.A OD1 no hydrogen 2.871 N/A GLN 496.A N TYR 465.A OH no hydrogen 3.104 N/A GLN 496.A NE2 LYS 338.A O no hydrogen 3.137 N/A MET 499.A N LEU 495.A O no hydrogen 3.415 N/A TRP 500.A N PHE 497.A O no hydrogen 2.988 N/A TRP 500.A NE1 GLN 496.A OE1 no hydrogen 3.160 N/A ASP 501.A N ASP 498.A O no hydrogen 2.856 N/A GLN 502.A N PHE 497.A O no hydrogen 3.060 N/A GLY 506.A N GLU 462.A OE1 no hydrogen 3.156 N/A TRP 510.A NE1 GLU 462.A OE1 no hydrogen 2.433 N/A THR 512.A N ASP 509.A OD1 no hydrogen 3.104 N/A THR 512.A OG1 ASP 509.A OD1 no hydrogen 3.214 N/A THR 512.A OG1 ASP 509.A OD2 no hydrogen 2.461 N/A ARG 514.A N TRP 510.A O no hydrogen 3.234 N/A ARG 514.A NE GLY 493.A O no hydrogen 2.963 N/A ARG 514.A NH2 ASP 498.A OD1 no hydrogen 3.091 N/A ARG 514.A NH2 ASP 498.A OD2 no hydrogen 3.336 N/A LYS 515.A N ASP 511.A O no hydrogen 3.161 N/A ASP 516.A N THR 512.A O no hydrogen 3.169 N/A ILE 517.A N LEU 513.A O no hydrogen 2.921 N/A MET 518.A N ARG 514.A O no hydrogen 2.969 N/A LYS 519.A N LYS 515.A O no hydrogen 3.051 N/A LYS 519.A NZ LYS 519.A O no hydrogen 3.527 N/A HIS 520.A N ASP 516.A O no hydrogen 2.669 N/A GLY 521.A N ILE 517.A O no hydrogen 2.767 N/A ARG 523.A N SER 472.A O no hydrogen 2.793 N/A ASN 524.A N SER 472.A OG no hydrogen 2.893 N/A ASN 524.A ND2 ARG 428.A O no hydrogen 2.755 N/A SER 525.A N HIS 427.A O no hydrogen 2.876 N/A THR 527.A N ASP 625.A OD2 no hydrogen 2.637 N/A THR 527.A OG1 SER 468.A OG no hydrogen 3.161 N/A ALA 529.A N LEU 432.A O no hydrogen 2.815 N/A THR 533.A OG1 PRO 532.A O no hydrogen 2.973 N/A SER 537.A N THR 533.A O no hydrogen 2.982 N/A SER 537.A OG THR 533.A O no hydrogen 2.921 N/A SER 537.A OG THR 533.A OG1 no hydrogen 3.409 N/A SER 537.A OG ALA 534.A O no hydrogen 3.236 N/A LEU 540.A N THR 536.A O no hydrogen 3.145 N/A TYR 542.A N SER 537.A O no hydrogen 2.844 N/A ASN 543.A N ASP 439.A OD2 no hydrogen 2.976 N/A ASN 543.A ND2 TYR 554.A OH no hydrogen 3.568 N/A CYS 545.A SG MET 531.A O no hydrogen 3.681 N/A CYS 545.A SG PRO 532.A O no hydrogen 3.931 N/A THR 550.A OG1 TYR 554.A OH no hydrogen 2.858 N/A SER 551.A OG MET 553.A O no hydrogen 2.576 N/A SER 551.A OG ASN 585.A O no hydrogen 3.364 N/A ASN 552.A N GLY 586.A O no hydrogen 3.205 N/A ASN 552.A ND2 GLY 586.A O no hydrogen 3.321 N/A ASN 552.A ND2 TYR 602.A O no hydrogen 2.713 N/A MET 553.A N SER 551.A OG no hydrogen 2.946 N/A TYR 554.A N VAL 558.A O no hydrogen 2.723 N/A TYR 554.A OH THR 550.A OG1 no hydrogen 2.858 N/A VAL 558.A N TYR 554.A O no hydrogen 2.770 N/A ASN 560.A N ASN 552.A O no hydrogen 2.549 N/A ASN 560.A ND2 ASN 552.A OD1 no hydrogen 3.295 N/A TYR 562.A OH ASP 439.A OD1 no hydrogen 2.528 N/A LEU 564.A N ASN 560.A O no hydrogen 2.852 N/A ARG 565.A N PRO 561.A O no hydrogen 3.059 N/A LEU 567.A N LEU 563.A O no hydrogen 3.073 N/A VAL 568.A N LEU 564.A O no hydrogen 3.469 N/A ASP 569.A N ARG 565.A O no hydrogen 3.085 N/A LEU 570.A N ASP 566.A O no hydrogen 3.031 N/A GLY 571.A N VAL 568.A O no hydrogen 3.275 N/A ILE 572.A N LEU 567.A O no hydrogen 3.213 N/A MET 577.A N ASP 574.A OD1 no hydrogen 2.961 N/A GLN 579.A N GLU 575.A O no hydrogen 2.855 N/A TYR 580.A N GLY 576.A O no hydrogen 3.016 N/A LEU 581.A N LYS 578.A O no hydrogen 3.221 N/A SER 587.A N GLN 584.A O no hydrogen 3.455 N/A SER 587.A OG GLU 607.A OE2 no hydrogen 2.690 N/A GLN 589.A N SER 587.A OG no hydrogen 3.378 N/A GLN 589.A NE2 LYS 599.A O no hydrogen 2.820 N/A LEU 598.A N PRO 595.A O no hydrogen 2.789 N/A LYS 599.A N PRO 595.A O no hydrogen 3.314 N/A LYS 599.A NZ ILE 588.A O no hydrogen 3.123 N/A LYS 599.A NZ LEU 591.A O no hydrogen 3.523 N/A ASP 600.A N GLN 596.A O no hydrogen 3.150 N/A ASP 600.A N GLU 597.A O no hydrogen 3.267 N/A LEU 601.A N GLU 597.A O no hydrogen 3.078 N/A TYR 602.A N LEU 598.A O no hydrogen 2.889 N/A TYR 602.A OH ASP 566.A OD2 no hydrogen 2.314 N/A THR 604.A N GLU 607.A OE1 no hydrogen 3.001 N/A THR 604.A OG1 THR 550.A O no hydrogen 2.941 N/A VAL 605.A N VAL 549.A O no hydrogen 2.710 N/A GLU 607.A N THR 604.A O no hydrogen 2.503 N/A THR 612.A N SER 609.A O no hydrogen 3.032 N/A ILE 613.A N SER 609.A O no hydrogen 3.393 N/A ILE 614.A N GLN 610.A O no hydrogen 3.080 N/A ASN 615.A N LYS 611.A O no hydrogen 3.227 N/A MET 616.A N THR 612.A O no hydrogen 3.164 N/A ALA 617.A N ILE 613.A O no hydrogen 2.985 N/A ALA 618.A N ILE 614.A O no hydrogen 2.790 N/A ASP 619.A N ASN 615.A O no hydrogen 2.748 N/A ARG 620.A N MET 616.A O no hydrogen 2.985 N/A ARG 620.A NE ASN 457.A OD1 no hydrogen 2.807 N/A ARG 620.A NH2 ASN 457.A OD1 no hydrogen 2.785 N/A SER 621.A N ALA 617.A O no hydrogen 3.276 N/A SER 621.A OG ALA 617.A O no hydrogen 2.656 N/A TYR 623.A N ARG 620.A O no hydrogen 2.886 N/A ILE 624.A N SER 621.A O no hydrogen 3.151 N/A GLN 626.A N MET 528.A O no hydrogen 3.037 N/A GLN 626.A NE2 GLU 358.A OE2 no hydrogen 3.404 N/A GLN 626.A NE2 ILE 430.A O no hydrogen 3.642 N/A SER 627.A N GLU 355.A O no hydrogen 3.111 N/A SER 627.A OG HIS 628.A O no hydrogen 3.509 N/A SER 627.A OG THR 656.A OG1 no hydrogen 2.479 N/A SER 629.A OG CYS 353.A O no hydrogen 2.835 N/A LEU 632.A N TYR 660.A O no hydrogen 3.226 N/A LEU 634.A N ARG 662.A O no hydrogen 3.452 N/A LYS 641.A N THR 638.A OG1 no hydrogen 3.132 N/A LEU 642.A N THR 638.A O no hydrogen 3.460 N/A THR 643.A N MET 639.A O no hydrogen 3.109 N/A THR 643.A OG1 MET 639.A O no hydrogen 3.132 N/A SER 644.A N GLY 640.A O no hydrogen 3.075 N/A SER 644.A N LYS 641.A O no hydrogen 3.310 N/A SER 644.A OG GLY 640.A O no hydrogen 2.915 N/A SER 644.A OG LYS 641.A O no hydrogen 3.497 N/A MET 645.A N LYS 641.A O no hydrogen 3.372 N/A MET 645.A N LEU 642.A O no hydrogen 3.117 N/A HIS 646.A N LEU 642.A O no hydrogen 3.125 N/A HIS 646.A NE2 GLN 321.A OE1 no hydrogen 2.654 N/A PHE 647.A N THR 643.A O no hydrogen 3.188 N/A TYR 648.A N SER 644.A O no hydrogen 3.043 N/A TYR 648.A OH ASN 615.A OD1 no hydrogen 2.834 N/A GLY 649.A N MET 645.A O no hydrogen 3.242 N/A TRP 650.A N HIS 646.A O no hydrogen 2.959 N/A TRP 650.A NE1 ASP 261.A OD1 no hydrogen 2.781 N/A LYS 651.A N PHE 647.A O no hydrogen 2.881 N/A LYS 651.A NZ GLU 268.A OE2 no hydrogen 2.452 N/A LYS 652.A N TYR 648.A O no hydrogen 2.866 N/A LYS 652.A NZ ASN 615.A OD1 no hydrogen 2.964 N/A GLY 653.A N TRP 650.A O no hydrogen 2.875 N/A LEU 654.A N GLY 649.A O no hydrogen 3.203 N/A LYS 655.A NZ LYS 338.A O no hydrogen 3.257 N/A LYS 655.A NZ GLN 496.A OE1 no hydrogen 2.876 N/A LYS 655.A NZ GLN 626.A O no hydrogen 2.895 N/A THR 656.A OG1 CYS 354.A O no hydrogen 2.763 N/A THR 656.A OG1 SER 627.A OG no hydrogen 2.479 N/A GLY 657.A N VAL 329.A O no hydrogen 2.840 N/A MET 658.A N VAL 329.A O no hydrogen 3.220 N/A TYR 659.A N LEU 630.A O no hydrogen 2.743 N/A ARG 662.A N LEU 632.A O no hydrogen 3.040 N/A