Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vll_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 8.A N SER 5.A O no hydrogen 3.248 N/A ILE 18.A N ASN 15.A O no hydrogen 3.222 N/A LEU 19.A N LEU 16.A O no hydrogen 2.941 N/A ASP 20.A N LEU 16.A O no hydrogen 3.163 N/A GLN 21.A N GLU 17.A O no hydrogen 3.276 N/A GLN 21.A NE2 GLU 163.A OE1 no hydrogen 3.240 N/A GLN 21.A NE2 GLU 164.A O no hydrogen 3.137 N/A ASN 22.A N LEU 19.A O no hydrogen 2.994 N/A ASN 22.A ND2 ASP 577.A OD2 no hydrogen 3.195 N/A ASN 22.A ND2 LEU 581.A O no hydrogen 2.888 N/A ALA 23.A N ASP 20.A O no hydrogen 2.946 N/A ARG 24.A NH2 GLU 163.A OE1 no hydrogen 2.819 N/A GLU 30.A N GLU 30.A OE1 no hydrogen 2.646 N/A PHE 33.A N GLU 30.A O no hydrogen 2.790 N/A TYR 35.A OH ASP 134.A OD2 no hydrogen 2.501 N/A GLU 37.A N ASP 34.A OD2 no hydrogen 3.273 N/A GLU 38.A N ASP 34.A O no hydrogen 3.430 N/A PHE 39.A N TYR 35.A O no hydrogen 2.787 N/A GLN 40.A N ALA 36.A O no hydrogen 3.045 N/A LYS 41.A N GLU 38.A O no hydrogen 3.064 N/A LYS 41.A NZ GLU 38.A OE2 no hydrogen 2.689 N/A LEU 42.A N PHE 39.A O no hydrogen 2.901 N/A ALA 46.A N ASP 43.A O no hydrogen 3.012 N/A ALA 46.A N ASP 43.A OD1 no hydrogen 3.250 N/A VAL 47.A N ASP 43.A O no hydrogen 3.218 N/A LYS 48.A N LEU 44.A O no hydrogen 3.014 N/A LYS 48.A NZ GLU 145.A OE1 no hydrogen 2.699 N/A LYS 48.A NZ GLU 393.A OE1 no hydrogen 2.660 N/A LYS 48.A NZ GLU 393.A OE2 no hydrogen 3.384 N/A SER 49.A N GLU 45.A O no hydrogen 3.006 N/A ASP 50.A N ALA 46.A O no hydrogen 3.105 N/A LEU 51.A N VAL 47.A O no hydrogen 2.989 N/A GLU 52.A N LYS 48.A O no hydrogen 2.844 N/A GLU 53.A N SER 49.A O no hydrogen 3.095 N/A LEU 54.A N ASP 50.A O no hydrogen 2.933 N/A MET 55.A N LEU 51.A O no hydrogen 2.957 N/A SER 57.A N LEU 54.A O no hydrogen 2.866 N/A SER 57.A OG GLU 53.A O no hydrogen 2.712 N/A GLN 59.A N TYR 69.A OH no hydrogen 2.675 N/A GLN 59.A NE2 SER 57.A O no hydrogen 3.285 N/A TRP 61.A NE1 GLN 59.A OE1 no hydrogen 3.154 N/A TRP 62.A N GLN 59.A O no hydrogen 3.309 N/A ALA 64.A N SER 58.A OG no hydrogen 2.816 N/A TYR 66.A N ALA 329.A O no hydrogen 2.961 N/A GLY 67.A N ALA 64.A O no hydrogen 3.050 N/A HIS 68.A N ASP 65.A O no hydrogen 2.906 N/A TYR 69.A N MET 55.A O no hydrogen 2.702 N/A TYR 69.A OH TRP 62.A O no hydrogen 2.689 N/A GLY 70.A N HIS 68.A ND1 no hydrogen 2.887 N/A PHE 73.A N TYR 69.A O no hydrogen 3.162 N/A ILE 74.A N GLY 70.A O no hydrogen 3.047 N/A ARG 75.A N PRO 71.A O no hydrogen 3.100 N/A ARG 75.A NE HIS 79.A NE2 no hydrogen 3.556 N/A ARG 75.A NH1 ALA 110.A O no hydrogen 3.251 N/A ARG 75.A NH2 ASP 108.A O no hydrogen 2.998 N/A ARG 75.A NH2 ALA 110.A O no hydrogen 2.909 N/A MET 76.A N LEU 72.A O no hydrogen 2.920 N/A ALA 77.A N PHE 73.A O no hydrogen 2.794 N/A TRP 78.A N ILE 74.A O no hydrogen 2.875 N/A HIS 79.A N ARG 75.A O no hydrogen 2.814 N/A HIS 79.A ND1 ASN 109.A OD1 no hydrogen 2.524 N/A SER 80.A N MET 76.A O no hydrogen 2.966 N/A ALA 81.A N ALA 77.A O no hydrogen 3.099 N/A TYR 84.A N ALA 81.A O no hydrogen 3.409 N/A TYR 84.A OH ASP 450.A OD2 no hydrogen 2.576 N/A ARG 85.A N ARG 90.A O no hydrogen 3.031 N/A ARG 85.A NE ASP 88.A OD1 no hydrogen 3.091 N/A ARG 85.A NH1 ASP 88.A OD1 no hydrogen 3.506 N/A ARG 85.A NH1 ASP 88.A OD2 no hydrogen 2.785 N/A THR 86.A N ARG 226.A O no hydrogen 3.008 N/A ARG 90.A N ASP 88.A OD1 no hydrogen 3.002 N/A ARG 90.A NH1 ASP 88.A OD2 no hydrogen 2.860 N/A ARG 90.A NH1 ASP 574.A OD2 no hydrogen 2.772 N/A ARG 90.A NH2 ASP 574.A O no hydrogen 3.329 N/A ARG 90.A NH2 ASP 574.A OD2 no hydrogen 2.959 N/A ARG 90.A NH2 ASP 577.A OD1 no hydrogen 2.798 N/A GLY 92.A N THR 83.A OG1 no hydrogen 3.020 N/A ALA 94.A N ASP 382.A OD2 no hydrogen 2.841 N/A GLY 96.A N ALA 93.A O no hydrogen 2.911 N/A ARG 99.A N GLY 96.A O no hydrogen 3.320 N/A ARG 99.A NE GLY 96.A O no hydrogen 2.720 N/A ARG 99.A NH2 GLY 95.A O no hydrogen 3.449 N/A ARG 99.A NH2 ALA 161.A O no hydrogen 2.747 N/A PHE 100.A N ARG 97.A O no hydrogen 3.023 N/A ASN 104.A N PHE 100.A O no hydrogen 2.899 N/A SER 105.A N PRO 102.A O no hydrogen 2.974 N/A TRP 106.A N ILE 103.A O no hydrogen 3.304 N/A ASN 109.A N TRP 106.A O no hydrogen 3.048 N/A ASN 109.A ND2 ILE 103.A O no hydrogen 2.610 N/A ALA 110.A N PRO 107.A O no hydrogen 3.244 N/A LEU 112.A N ASN 109.A O no hydrogen 2.975 N/A LYS 114.A N ASN 111.A O no hydrogen 3.163 N/A LYS 114.A NZ ASN 111.A OD1 no hydrogen 3.169 N/A LYS 114.A NZ ASP 113.A OD1 no hydrogen 3.071 N/A LYS 114.A NZ ASP 113.A OD2 no hydrogen 3.101 N/A LYS 114.A NZ GLY 272.A O no hydrogen 3.067 N/A ARG 116.A N LEU 112.A O no hydrogen 3.097 N/A ARG 116.A NH2 GLN 98.A OE1 no hydrogen 2.823 N/A ARG 117.A N ASP 113.A O no hydrogen 3.124 N/A ARG 117.A NH1 GLN 269.A O no hydrogen 3.369 N/A ARG 117.A NH2 GLN 269.A O no hydrogen 2.910 N/A LEU 118.A N LYS 114.A O no hydrogen 3.031 N/A LEU 119.A N ARG 116.A O no hydrogen 3.109 N/A LEU 120.A N ARG 117.A O no hydrogen 2.996 N/A LYS 123.A N LEU 119.A O no hydrogen 2.964 N/A LYS 123.A NZ GLY 127.A O no hydrogen 3.105 N/A LYS 123.A NZ ILE 130.A O no hydrogen 2.997 N/A GLN 124.A N LEU 120.A O no hydrogen 2.895 N/A GLN 124.A NE2 LEU 120.A O no hydrogen 3.484 N/A LYS 125.A N PRO 121.A O no hydrogen 2.978 N/A LYS 125.A NZ ASP 50.A OD1 no hydrogen 3.495 N/A LYS 125.A NZ ASP 50.A OD2 no hydrogen 2.776 N/A TYR 126.A N ILE 122.A O no hydrogen 3.162 N/A TYR 126.A OH ASP 50.A OD2 no hydrogen 2.610 N/A GLY 127.A N LYS 123.A O no hydrogen 2.841 N/A LYS 129.A N TYR 126.A O no hydrogen 3.191 N/A LYS 129.A NZ TYR 126.A O no hydrogen 2.915 N/A ILE 130.A N GLY 127.A O no hydrogen 3.236 N/A SER 131.A N TYR 35.A OH no hydrogen 2.833 N/A SER 131.A OG TYR 35.A OH no hydrogen 3.425 N/A SER 131.A OG ARG 158.A O no hydrogen 2.536 N/A TRP 132.A N ASP 160.A OD2 no hydrogen 2.582 N/A ALA 133.A N ASP 160.A OD1 no hydrogen 2.905 N/A ASP 134.A N SER 131.A OG no hydrogen 2.906 N/A LEU 135.A N SER 131.A O no hydrogen 2.870 N/A MET 136.A N TRP 132.A O no hydrogen 2.854 N/A ILE 137.A N ALA 133.A O no hydrogen 3.426 N/A LEU 138.A N ASP 134.A O no hydrogen 2.869 N/A ALA 139.A N LEU 135.A O no hydrogen 2.890 N/A GLY 140.A N MET 136.A O no hydrogen 3.180 N/A ASN 141.A N ILE 137.A O no hydrogen 3.011 N/A ASN 141.A ND2 GLY 153.A O no hydrogen 3.215 N/A VAL 142.A N LEU 138.A O no hydrogen 2.990 N/A ALA 143.A N ALA 139.A O no hydrogen 2.953 N/A ILE 144.A N GLY 140.A O no hydrogen 3.075 N/A GLU 145.A N ASN 141.A O no hydrogen 2.834 N/A SER 146.A N VAL 142.A O no hydrogen 2.660 N/A SER 146.A OG VAL 142.A O no hydrogen 3.292 N/A SER 146.A OG ALA 143.A O no hydrogen 2.870 N/A MET 147.A N ALA 143.A O no hydrogen 3.083 N/A MET 147.A N ILE 144.A O no hydrogen 3.237 N/A GLY 148.A N GLU 145.A O no hydrogen 3.070 N/A PHE 149.A N ILE 144.A O no hydrogen 3.129 N/A THR 151.A N GLU 145.A OE2 no hydrogen 3.263 N/A THR 151.A OG1 GLU 145.A OE2 no hydrogen 3.229 N/A TYR 154.A N GLU 393.A O no hydrogen 2.915 N/A TYR 154.A OH ASP 134.A O no hydrogen 2.802 N/A GLY 156.A N LEU 390.A O no hydrogen 2.866 N/A GLY 157.A N ASP 134.A OD2 no hydrogen 2.880 N/A ARG 158.A N ASP 134.A OD1 no hydrogen 2.915 N/A ARG 158.A NH1 ASP 134.A OD1 no hydrogen 2.783 N/A ARG 158.A NH1 ALA 155.A O no hydrogen 2.843 N/A ARG 158.A NH2 ALA 155.A O no hydrogen 3.467 N/A ARG 158.A NH2 THR 379.A O no hydrogen 2.950 N/A ALA 161.A N GLY 95.A O no hydrogen 3.189 N/A LYS 166.A N GLN 21.A OE1 no hydrogen 3.290 N/A ALA 167.A N ASP 165.A OD1 no hydrogen 3.075 N/A THR 178.A OG1 GLU 175.A O no hydrogen 3.158 N/A ARG 181.A N GLN 179.A OE1 no hydrogen 3.404 N/A ARG 181.A NE GLU 173.A OE1 no hydrogen 2.854 N/A ARG 181.A NH1 TRP 170.A O no hydrogen 3.419 N/A ARG 181.A NH1 ALA 194.A O no hydrogen 2.999 N/A ARG 181.A NH2 TRP 170.A O no hydrogen 2.707 N/A ARG 181.A NH2 GLU 173.A OE1 no hydrogen 2.823 N/A GLU 187.A N GLU 184.A O no hydrogen 3.118 N/A ILE 188.A N GLN 222.A OE1 no hydrogen 3.187 N/A GLN 189.A N ARG 181.A O no hydrogen 2.742 N/A SER 195.A N TYR 201.A O no hydrogen 2.869 N/A SER 195.A OG TYR 201.A O no hydrogen 3.395 N/A LEU 199.A N VAL 196.A O no hydrogen 3.195 N/A GLY 206.A N ASN 203.A O no hydrogen 2.937 N/A GLY 209.A N GLY 206.A O no hydrogen 2.779 N/A ASN 210.A N PRO 207.A O no hydrogen 2.922 N/A ASP 212.A N ASN 210.A O no hydrogen 2.724 N/A ALA 215.A N ASP 212.A OD1 no hydrogen 3.042 N/A SER 216.A N ASP 212.A O no hydrogen 2.885 N/A ALA 217.A N PRO 213.A O no hydrogen 2.941 N/A ASN 219.A N ALA 215.A O no hydrogen 3.372 N/A ILE 220.A N SER 216.A O no hydrogen 2.790 N/A ARG 221.A N ALA 217.A O no hydrogen 2.811 N/A ARG 221.A NE ASP 231.A OD1 no hydrogen 2.846 N/A ARG 221.A NE ASP 231.A OD2 no hydrogen 3.363 N/A ARG 221.A NH1 ASP 350.A OD1 no hydrogen 3.206 N/A ARG 221.A NH2 ASP 231.A OD1 no hydrogen 3.522 N/A ARG 221.A NH2 ASP 231.A OD2 no hydrogen 2.869 N/A ARG 221.A NH2 ASP 350.A OD2 no hydrogen 2.936 N/A GLN 222.A N LYS 218.A O no hydrogen 3.034 N/A THR 223.A N ASN 219.A O no hydrogen 2.879 N/A THR 223.A OG1 ASN 219.A O no hydrogen 2.793 N/A THR 223.A OG1 ILE 220.A O no hydrogen 3.099 N/A PHE 224.A N ILE 220.A O no hydrogen 2.860 N/A ASP 225.A N ARG 221.A O no hydrogen 3.017 N/A ARG 226.A N GLN 222.A O no hydrogen 3.139 N/A ARG 226.A NH1 LEU 192.A O no hydrogen 3.153 N/A ARG 226.A NH2 ILE 188.A O no hydrogen 2.972 N/A MET 227.A N PHE 224.A O no hydrogen 3.003 N/A ALA 228.A N ASP 225.A O no hydrogen 3.078 N/A MET 229.A N PHE 224.A O no hydrogen 2.807 N/A ASN 230.A N GLU 233.A OE1 no hydrogen 2.878 N/A GLU 233.A N ASN 230.A OD1 no hydrogen 2.867 N/A THR 234.A N ASN 230.A O no hydrogen 2.867 N/A THR 234.A OG1 ASN 230.A O no hydrogen 2.645 N/A ALA 235.A N ASP 231.A O no hydrogen 2.919 N/A ALA 236.A N LYS 232.A O no hydrogen 3.016 N/A LEU 237.A N GLU 233.A O no hydrogen 2.846 N/A ILE 238.A N THR 234.A O no hydrogen 2.974 N/A ALA 239.A N ALA 235.A O no hydrogen 2.957 N/A GLY 240.A N ALA 236.A O no hydrogen 2.767 N/A GLY 241.A N LEU 237.A O no hydrogen 2.830 N/A HIS 242.A N ILE 238.A O no hydrogen 2.877 N/A HIS 242.A ND1 ASP 344.A OD1 no hydrogen 2.748 N/A THR 243.A N GLY 240.A O no hydrogen 3.205 N/A THR 243.A OG1 ALA 239.A O no hydrogen 2.735 N/A THR 243.A OG1 GLY 240.A O no hydrogen 3.309 N/A PHE 244.A N GLY 241.A O no hydrogen 3.125 N/A GLY 245.A N PRO 287.A O no hydrogen 2.928 N/A LYS 246.A NZ GLU 280.A OE1 no hydrogen 3.452 N/A LYS 246.A NZ GLU 280.A OE2 no hydrogen 2.603 N/A VAL 247.A N GLY 281.A O no hydrogen 2.914 N/A HIS 248.A NE2 ASP 65.A OD1 no hydrogen 2.554 N/A GLY 249.A N GLU 280.A OE1 no hydrogen 3.103 N/A GLU 254.A N ASP 252.A OD2 no hydrogen 3.083 N/A GLU 255.A N ASP 252.A O no hydrogen 3.218 N/A ASN 256.A N PRO 253.A O no hydrogen 3.096 N/A ASN 256.A ND2 ASP 252.A O no hydrogen 3.110 N/A GLU 260.A N GLU 260.A OE1 no hydrogen 2.777 N/A GLU 262.A N SER 105.A OG no hydrogen 3.104 N/A ALA 263.A N GLU 260.A O no hydrogen 2.808 N/A ALA 264.A N PRO 261.A O no hydrogen 3.175 N/A GLU 267.A N GLU 267.A OE1 no hydrogen 2.719 N/A GLN 268.A N PRO 265.A O no hydrogen 2.963 N/A GLN 269.A N ILE 266.A O no hydrogen 3.083 N/A LEU 271.A N GLN 268.A O no hydrogen 3.066 N/A GLY 272.A N ASP 113.A OD1 no hydrogen 2.833 N/A TRP 273.A N PRO 259.A O no hydrogen 2.754 N/A THR 276.A N HIS 248.A O no hydrogen 2.909 N/A ALA 277.A N HIS 248.A O no hydrogen 3.383 N/A ILE 279.A N ALA 277.A O no hydrogen 2.661 N/A GLY 281.A N VAL 247.A O no hydrogen 3.183 N/A TRP 283.A NE1 ASP 344.A OD2 no hydrogen 2.904 N/A THR 284.A OG1 THR 243.A O no hydrogen 3.379 N/A GLU 289.A N SER 286.A O no hydrogen 3.158 N/A TRP 290.A N MET 147.A O no hydrogen 2.874 N/A GLY 293.A N ASP 291.A OD2 no hydrogen 2.742 N/A TYR 294.A OH ASP 344.A OD1 no hydrogen 2.679 N/A ASN 296.A N MET 292.A O no hydrogen 2.939 N/A ASN 296.A ND2 GLN 361.A OE1 no hydrogen 2.937 N/A ASN 297.A N GLY 293.A O no hydrogen 3.030 N/A ASN 297.A ND2 TRP 283.A O no hydrogen 2.782 N/A LEU 298.A N TYR 294.A O no hydrogen 3.060 N/A LEU 299.A N ILE 295.A O no hydrogen 2.916 N/A ASP 300.A N ASN 296.A O no hydrogen 2.885 N/A TYR 301.A OH GLU 321.A OE2 no hydrogen 2.492 N/A TRP 303.A NE1 ASN 297.A O no hydrogen 2.847 N/A GLU 304.A N ALA 316.A O no hydrogen 3.090 N/A GLY 308.A N ALA 312.A O no hydrogen 2.894 N/A GLY 311.A N GLY 308.A O no hydrogen 2.813 N/A TRP 313.A N GLU 205.A OE1 no hydrogen 2.735 N/A GLN 314.A N GLU 306.A O no hydrogen 3.063 N/A TRP 315.A N MET 340.A O no hydrogen 2.728 N/A TRP 315.A NE1 THR 342.A OG1 no hydrogen 2.822 N/A ALA 316.A N GLU 304.A O no hydrogen 2.996 N/A LYS 318.A N GLU 302.A O no hydrogen 3.078 N/A LYS 318.A NZ GLU 302.A OE1 no hydrogen 2.855 N/A LYS 323.A N GLU 320.A O no hydrogen 3.416 N/A ASN 324.A N THR 337.A OG1 no hydrogen 3.034 N/A SER 325.A N LEU 322.A O no hydrogen 3.083 N/A SER 325.A OG LEU 322.A O no hydrogen 2.689 N/A VAL 326.A N GLN 336.A O no hydrogen 2.989 N/A ASP 328.A N GLU 334.A O no hydrogen 3.333 N/A HIS 330.A N ASP 328.A OD1 no hydrogen 2.743 N/A ASP 331.A N ASP 328.A OD1 no hydrogen 2.689 N/A GLU 334.A N ASP 331.A O no hydrogen 3.251 N/A GLN 336.A N VAL 326.A O no hydrogen 2.620 N/A GLN 336.A NE2 GLU 280.A OE2 no hydrogen 2.758 N/A MET 339.A N PRO 282.A O no hydrogen 2.777 N/A MET 340.A N TRP 315.A O no hydrogen 3.106 N/A LEU 341.A N ASP 344.A OD2 no hydrogen 2.859 N/A THR 342.A OG1 GLU 205.A O no hydrogen 2.717 N/A ASP 344.A N LEU 341.A O no hydrogen 2.867 N/A ILE 345.A N LEU 341.A O no hydrogen 3.051 N/A ALA 346.A N THR 342.A O no hydrogen 3.083 N/A LEU 347.A N ASP 344.A O no hydrogen 2.912 N/A LYS 348.A N ILE 345.A O no hydrogen 2.921 N/A LYS 348.A NZ LEU 298.A O no hydrogen 2.720 N/A ARG 349.A N ILE 345.A O no hydrogen 2.898 N/A ASP 350.A N ALA 346.A O no hydrogen 3.020 N/A TYR 353.A N ASP 350.A OD2 no hydrogen 3.065 N/A ARG 354.A N ASP 350.A O no hydrogen 2.796 N/A ARG 354.A NE GLU 358.A OE1 no hydrogen 3.067 N/A ARG 354.A NH1 LYS 348.A O no hydrogen 3.129 N/A GLU 355.A N PRO 351.A O no hydrogen 3.053 N/A VAL 356.A N ASP 352.A O no hydrogen 3.212 N/A MET 357.A N TYR 353.A O no hydrogen 2.826 N/A GLU 358.A N ARG 354.A O no hydrogen 2.864 N/A THR 359.A N GLU 355.A O no hydrogen 3.097 N/A THR 359.A OG1 GLU 355.A O no hydrogen 2.833 N/A PHE 360.A N VAL 356.A O no hydrogen 2.919 N/A GLN 361.A N MET 357.A O no hydrogen 2.938 N/A GLU 362.A N GLU 358.A O no hydrogen 2.923 N/A ASN 363.A N THR 359.A O no hydrogen 2.794 N/A GLU 366.A N ASN 363.A O no hydrogen 2.818 N/A PHE 367.A N ASN 363.A O no hydrogen 3.359 N/A GLY 368.A N PRO 364.A O no hydrogen 3.153 N/A MET 369.A N MET 365.A O no hydrogen 2.988 N/A ASN 370.A N GLU 366.A O no hydrogen 3.082 N/A ASN 370.A ND2 GLU 366.A O no hydrogen 2.827 N/A PHE 371.A N PHE 367.A O no hydrogen 2.930 N/A ALA 372.A N GLY 368.A O no hydrogen 2.838 N/A LYS 373.A N MET 369.A O no hydrogen 3.000 N/A ALA 374.A N ASN 370.A O no hydrogen 2.944 N/A TRP 375.A N PHE 371.A O no hydrogen 2.748 N/A TRP 375.A NE1 ASN 141.A OD1 no hydrogen 2.830 N/A TYR 376.A N ALA 372.A O no hydrogen 3.053 N/A LYS 377.A N LYS 373.A O no hydrogen 2.963 N/A LYS 377.A NZ ALA 228.A O no hydrogen 2.709 N/A LYS 377.A NZ GLU 233.A OE1 no hydrogen 3.560 N/A LYS 377.A NZ GLU 233.A OE2 no hydrogen 3.140 N/A LEU 378.A N ALA 374.A O no hydrogen 2.898 N/A THR 379.A N TRP 375.A O no hydrogen 3.103 N/A THR 379.A OG1 TRP 375.A O no hydrogen 2.852 N/A THR 379.A OG1 TYR 376.A O no hydrogen 3.350 N/A HIS 380.A N LYS 377.A O no hydrogen 3.169 N/A ARG 381.A NH1 ARG 381.A O no hydrogen 2.997 N/A ARG 381.A NH1 TRP 401.A O no hydrogen 2.963 N/A MET 383.A N HIS 380.A O no hydrogen 3.111 N/A ARG 388.A N PRO 385.A O no hydrogen 2.945 N/A ARG 388.A NH1 MET 383.A O no hydrogen 2.641 N/A PHE 389.A N PRO 386.A O no hydrogen 2.911 N/A LEU 390.A N GLY 156.A O no hydrogen 3.215 N/A GLN 402.A N MET 399.A O no hydrogen 2.871 N/A GLN 402.A NE2 MET 399.A O no hydrogen 3.627 N/A ASP 403.A N ILE 400.A O no hydrogen 2.934 N/A ASP 411.A N GLY 497.A O no hydrogen 3.045 N/A GLY 414.A N GLU 417.A OE2 no hydrogen 2.960 N/A GLU 417.A N GLU 417.A OE1 no hydrogen 2.721 N/A ILE 418.A N GLY 414.A O no hydrogen 2.932 N/A ALA 419.A N ASP 415.A O no hydrogen 3.158 N/A GLU 420.A N GLU 416.A O no hydrogen 3.136 N/A LEU 421.A N GLU 417.A O no hydrogen 2.865 N/A LYS 422.A N ILE 418.A O no hydrogen 3.035 N/A LYS 422.A NZ GLU 515.A OE1 no hydrogen 3.431 N/A GLU 423.A N ALA 419.A O no hydrogen 2.895 N/A GLU 424.A N GLU 420.A O no hydrogen 2.961 N/A ILE 425.A N LEU 421.A O no hydrogen 2.876 N/A LEU 426.A N LYS 422.A O no hydrogen 3.221 N/A ASP 427.A N GLU 423.A O no hydrogen 3.026 N/A SER 428.A N ILE 425.A O no hydrogen 3.200 N/A SER 428.A OG ILE 425.A O no hydrogen 2.774 N/A LEU 430.A N SER 428.A OG no hydrogen 3.065 N/A SER 431.A N GLN 434.A OE1 no hydrogen 2.834 N/A SER 433.A N GLU 613.A OE2 no hydrogen 3.049 N/A SER 433.A OG GLY 597.A O no hydrogen 2.948 N/A SER 433.A OG GLU 613.A OE2 no hydrogen 2.771 N/A GLN 434.A N SER 431.A OG no hydrogen 3.062 N/A LEU 435.A N SER 431.A O no hydrogen 3.059 N/A VAL 436.A N VAL 432.A O no hydrogen 2.976 N/A LYS 437.A N SER 433.A O no hydrogen 3.015 N/A THR 438.A N GLN 434.A O no hydrogen 3.048 N/A THR 438.A OG1 GLN 434.A O no hydrogen 2.909 N/A ALA 439.A N LEU 435.A O no hydrogen 3.055 N/A TRP 440.A N VAL 436.A O no hydrogen 2.870 N/A TRP 440.A NE1 ASP 554.A OD1 no hydrogen 3.111 N/A ALA 441.A N LYS 437.A O no hydrogen 2.827 N/A SER 442.A N THR 438.A O no hydrogen 3.051 N/A ALA 443.A N ALA 439.A O no hydrogen 3.023 N/A SER 444.A N TRP 440.A O no hydrogen 2.811 N/A SER 444.A OG TRP 440.A O no hydrogen 2.643 N/A TYR 446.A N ALA 443.A O no hydrogen 3.202 N/A ARG 447.A N ARG 452.A O no hydrogen 2.990 N/A ARG 447.A NE ASP 450.A OD1 no hydrogen 2.871 N/A ARG 447.A NE ASP 450.A OD2 no hydrogen 3.423 N/A ARG 447.A NH1 THR 86.A O no hydrogen 2.919 N/A ARG 447.A NH2 THR 86.A O no hydrogen 2.807 N/A ARG 447.A NH2 ASP 450.A OD2 no hydrogen 2.875 N/A ASP 448.A N LEU 578.A O no hydrogen 2.833 N/A SER 449.A OG ASP 88.A O no hydrogen 2.605 N/A LYS 451.A NZ ASP 448.A O no hydrogen 3.007 N/A LYS 451.A NZ ASP 448.A OD1 no hydrogen 2.918 N/A ARG 452.A NE ASP 403.A OD1 no hydrogen 2.850 N/A ARG 452.A NH1 SER 545.A O no hydrogen 2.937 N/A ARG 452.A NH2 ASP 403.A OD1 no hydrogen 3.150 N/A GLY 454.A N THR 445.A OG1 no hydrogen 3.030 N/A ASN 456.A N ASP 698.A OD2 no hydrogen 2.757 N/A ALA 458.A N ALA 455.A O no hydrogen 3.066 N/A ARG 459.A NE THR 541.A OG1 no hydrogen 2.955 N/A ARG 459.A NH1 ASP 403.A O no hydrogen 3.258 N/A ARG 459.A NH2 PRO 404.A O no hydrogen 2.684 N/A ARG 459.A NH2 HIS 540.A O no hydrogen 2.975 N/A ARG 461.A N ALA 458.A O no hydrogen 3.351 N/A ARG 461.A NH1 ALA 458.A O no hydrogen 3.009 N/A ARG 461.A NH1 ALA 536.A O no hydrogen 2.921 N/A ARG 461.A NH2 ALA 536.A O no hydrogen 3.074 N/A LEU 462.A N ARG 459.A O no hydrogen 2.922 N/A LYS 466.A N LEU 462.A O no hydrogen 2.899 N/A ASN 467.A N PRO 464.A O no hydrogen 2.936 N/A ASN 467.A ND2 GLU 463.A OE2 no hydrogen 3.100 N/A TRP 468.A N GLN 465.A O no hydrogen 3.201 N/A ASN 471.A N TRP 468.A O no hydrogen 2.927 N/A ASN 471.A ND2 GLN 465.A O no hydrogen 2.982 N/A GLU 472.A N GLU 469.A O no hydrogen 2.987 N/A GLU 474.A N GLU 474.A OE2 no hydrogen 2.485 N/A LEU 476.A N GLU 472.A O no hydrogen 2.855 N/A GLU 477.A N PRO 473.A O no hydrogen 2.990 N/A THR 478.A N GLN 475.A O no hydrogen 3.142 N/A VAL 479.A N GLN 475.A O no hydrogen 3.478 N/A LEU 480.A N LEU 476.A O no hydrogen 2.916 N/A GLY 481.A N GLU 477.A O no hydrogen 2.833 N/A THR 482.A N THR 478.A O no hydrogen 3.022 N/A THR 482.A OG1 THR 478.A O no hydrogen 3.081 N/A LEU 483.A N VAL 479.A O no hydrogen 2.993 N/A GLU 484.A N LEU 480.A O no hydrogen 2.868 N/A ASN 485.A N GLY 481.A O no hydrogen 3.007 N/A ILE 486.A N THR 482.A O no hydrogen 3.055 N/A GLN 487.A N LEU 483.A O no hydrogen 2.828 N/A THR 488.A N GLU 484.A O no hydrogen 3.077 N/A THR 488.A OG1 GLU 484.A O no hydrogen 3.081 N/A GLU 489.A N ASN 485.A O no hydrogen 2.939 N/A PHE 490.A N ILE 486.A O no hydrogen 2.827 N/A ASN 491.A N GLN 487.A O no hydrogen 2.844 N/A ASN 491.A ND2 VAL 500.A O no hydrogen 3.464 N/A ASP 492.A N THR 488.A O no hydrogen 2.946 N/A SER 493.A N PHE 490.A O no hydrogen 3.139 N/A SER 493.A OG GLU 489.A O no hydrogen 3.294 N/A SER 493.A OG PHE 490.A O no hydrogen 2.864 N/A ARG 494.A N ASN 491.A O no hydrogen 3.399 N/A ARG 494.A NE PHE 490.A O no hydrogen 3.027 N/A ARG 494.A NE SER 493.A OG no hydrogen 3.257 N/A ARG 494.A NH1 GLU 420.A OE1 no hydrogen 3.206 N/A ARG 494.A NH1 SER 493.A OG no hydrogen 2.751 N/A ARG 494.A NH2 GLU 420.A OE2 no hydrogen 3.526 N/A THR 498.A OG1 ASP 496.A OD1 no hydrogen 3.369 N/A THR 498.A OG1 ASP 496.A OD2 no hydrogen 2.751 N/A GLN 499.A N ASP 411.A O no hydrogen 3.291 N/A VAL 500.A N ASN 491.A OD1 no hydrogen 2.817 N/A SER 501.A OG ARG 533.A O no hydrogen 2.630 N/A LEU 502.A N ASP 535.A OD2 no hydrogen 2.781 N/A ALA 503.A N ASP 535.A OD1 no hydrogen 2.770 N/A ASP 504.A N SER 501.A OG no hydrogen 3.088 N/A LEU 505.A N SER 501.A O no hydrogen 3.181 N/A ILE 506.A N LEU 502.A O no hydrogen 2.955 N/A VAL 507.A N ALA 503.A O no hydrogen 3.427 N/A LEU 508.A N ASP 504.A O no hydrogen 2.721 N/A GLY 509.A N LEU 505.A O no hydrogen 2.729 N/A GLY 510.A N ILE 506.A O no hydrogen 3.078 N/A ASN 511.A N VAL 507.A O no hydrogen 2.931 N/A ASN 511.A ND2 PRO 528.A O no hydrogen 3.689 N/A ALA 512.A N LEU 508.A O no hydrogen 2.879 N/A ALA 513.A N GLY 509.A O no hydrogen 2.983 N/A VAL 514.A N GLY 510.A O no hydrogen 2.964 N/A GLU 515.A N ASN 511.A O no hydrogen 2.882 N/A GLN 516.A N ALA 512.A O no hydrogen 2.835 N/A ALA 517.A N ALA 513.A O no hydrogen 2.874 N/A ALA 518.A N VAL 514.A O no hydrogen 2.964 N/A ALA 519.A N GLU 515.A O no hydrogen 2.936 N/A ASN 520.A N GLN 516.A O no hydrogen 2.883 N/A ASN 520.A ND2 GLU 613.A O no hydrogen 2.945 N/A ALA 521.A N ALA 518.A O no hydrogen 2.918 N/A GLY 522.A N ALA 519.A O no hydrogen 2.960 N/A TYR 523.A N ALA 518.A O no hydrogen 2.881 N/A TYR 523.A OH GLU 680.A OE2 no hydrogen 2.542 N/A ILE 527.A N GLU 515.A OE2 no hydrogen 2.848 N/A GLY 532.A N ASP 504.A OD2 no hydrogen 2.851 N/A ARG 533.A N ASP 504.A OD1 no hydrogen 3.216 N/A ARG 533.A NH1 ASP 504.A OD1 no hydrogen 3.108 N/A ARG 533.A NH1 GLU 530.A O no hydrogen 2.918 N/A ARG 533.A NH2 MET 695.A O no hydrogen 2.917 N/A VAL 534.A N ASN 456.A OD1 no hydrogen 2.947 N/A ALA 536.A N GLY 457.A O no hydrogen 2.773 N/A GLU 539.A N GLU 539.A OE1 no hydrogen 2.627 N/A HIS 540.A N GLY 537.A O no hydrogen 3.079 N/A THR 541.A N PRO 538.A O no hydrogen 3.094 N/A THR 541.A OG1 GLY 537.A O no hydrogen 2.835 N/A SER 545.A N ASP 542.A O no hydrogen 3.091 N/A SER 545.A N ASP 542.A OD1 no hydrogen 3.459 N/A SER 545.A OG ASP 542.A O no hydrogen 2.656 N/A PHE 546.A N ALA 543.A O no hydrogen 3.029 N/A ASP 547.A N PRO 544.A O no hydrogen 3.023 N/A LEU 549.A N PHE 546.A O no hydrogen 2.966 N/A LYS 550.A N ASP 547.A O no hydrogen 3.034 N/A LYS 552.A NZ GLU 190.A OE2 no hydrogen 3.182 N/A ASP 554.A N TYR 559.A O no hydrogen 2.703 N/A ARG 557.A N ASP 554.A OD2 no hydrogen 2.988 N/A ARG 557.A NE ASP 554.A OD1 no hydrogen 2.947 N/A ARG 557.A NH1 ASN 471.A OD1 no hydrogen 2.781 N/A ARG 557.A NH2 ASP 554.A OD1 no hydrogen 2.711 N/A ASN 558.A N GLY 555.A O no hydrogen 3.084 N/A ASN 558.A ND2 THR 655.A OG1 no hydrogen 2.704 N/A TYR 559.A N ASP 554.A O no hydrogen 2.787 N/A TYR 559.A OH GLU 469.A OE1 no hydrogen 2.962 N/A GLN 561.A N LYS 552.A O no hydrogen 2.743 N/A GLN 561.A NE2 ASP 563.A OD2 no hydrogen 2.983 N/A ARG 566.A NH1 ASP 574.A OD1 no hydrogen 3.007 N/A ARG 566.A NH2 ASP 574.A OD1 no hydrogen 2.812 N/A GLU 569.A N GLU 569.A OE1 no hydrogen 2.787 N/A GLU 570.A N PRO 567.A O no hydrogen 2.969 N/A VAL 571.A N PRO 567.A O no hydrogen 3.400 N/A LEU 572.A N ALA 568.A O no hydrogen 2.984 N/A VAL 573.A N GLU 569.A O no hydrogen 3.148 N/A ASP 574.A N GLU 570.A O no hydrogen 3.049 N/A ASN 575.A N VAL 571.A O no hydrogen 2.741 N/A ALA 576.A N LEU 572.A O no hydrogen 2.827 N/A ASP 577.A N VAL 573.A O no hydrogen 3.005 N/A LEU 578.A N ASN 575.A O no hydrogen 3.135 N/A LEU 579.A N ALA 576.A O no hydrogen 3.027 N/A ASN 580.A N ASP 577.A O no hydrogen 3.060 N/A ASN 580.A ND2 ASP 577.A O no hydrogen 3.602 N/A LEU 581.A N ALA 576.A O no hydrogen 3.176 N/A THR 582.A N GLU 585.A OE1 no hydrogen 2.946 N/A GLU 585.A N THR 582.A OG1 no hydrogen 3.102 N/A LEU 586.A N THR 582.A O no hydrogen 2.997 N/A THR 587.A N ALA 583.A O no hydrogen 2.996 N/A THR 587.A OG1 ALA 583.A O no hydrogen 2.831 N/A ALA 588.A N SER 584.A O no hydrogen 2.834 N/A LEU 589.A N GLU 585.A O no hydrogen 2.951 N/A ILE 590.A N LEU 586.A O no hydrogen 3.029 N/A GLY 591.A N THR 587.A O no hydrogen 2.893 N/A GLY 592.A N ALA 588.A O no hydrogen 2.871 N/A MET 593.A N LEU 589.A O no hydrogen 2.906 N/A ARG 594.A N ILE 590.A O no hydrogen 3.045 N/A ARG 594.A NE ASP 658.A OD1 no hydrogen 2.503 N/A ARG 594.A NH1 GLY 555.A O no hydrogen 2.907 N/A ARG 594.A NH2 GLY 555.A O no hydrogen 2.736 N/A ARG 594.A NH2 ASP 658.A OD1 no hydrogen 2.829 N/A SER 595.A N GLY 592.A O no hydrogen 3.117 N/A SER 595.A OG GLY 592.A O no hydrogen 2.718 N/A SER 595.A OG THR 614.A O no hydrogen 3.287 N/A SER 595.A OG THR 616.A O no hydrogen 3.539 N/A ILE 596.A N GLY 592.A O no hydrogen 3.219 N/A GLY 597.A N MET 593.A O no hydrogen 2.762 N/A ASN 599.A ND2 THR 603.A O no hydrogen 3.103 N/A ASN 599.A ND2 THR 603.A OG1 no hydrogen 3.255 N/A ASN 599.A ND2 LEU 605.A O no hydrogen 2.775 N/A TYR 600.A N ARG 557.A O no hydrogen 2.835 N/A GLN 601.A N GLU 472.A OE1 no hydrogen 3.273 N/A GLN 601.A N GLU 472.A OE2 no hydrogen 2.782 N/A GLN 601.A NE2 TYR 600.A OH no hydrogen 3.313 N/A ASP 602.A N ASN 599.A O no hydrogen 2.942 N/A GLY 606.A N GLU 653.A O no hydrogen 2.799 N/A VAL 607.A N ASP 604.A O no hydrogen 3.049 N/A PHE 608.A N GLY 606.A O no hydrogen 2.979 N/A THR 609.A OG1 ASP 618.A OD2 no hydrogen 2.764 N/A GLU 611.A N THR 609.A OG1 no hydrogen 3.261 N/A GLU 613.A N ILE 596.A O no hydrogen 2.767 N/A THR 614.A OG1 GLU 611.A O no hydrogen 3.157 N/A THR 614.A OG1 PRO 612.A O no hydrogen 3.259 N/A LEU 615.A N ALA 517.A O no hydrogen 3.009 N/A THR 616.A N SER 595.A OG no hydrogen 3.260 N/A ASN 617.A ND2 TYR 674.A O no hydrogen 2.768 N/A ASN 617.A ND2 SER 676.A O no hydrogen 3.571 N/A ASP 618.A N THR 616.A OG1 no hydrogen 3.194 N/A VAL 621.A N ASN 617.A O no hydrogen 3.164 N/A ASN 622.A N ASP 618.A O no hydrogen 2.977 N/A ASN 622.A ND2 PHE 608.A O no hydrogen 2.768 N/A LEU 623.A N PHE 619.A O no hydrogen 2.945 N/A LEU 624.A N PHE 620.A O no hydrogen 2.941 N/A GLY 627.A N ASP 625.A OD1 no hydrogen 2.777 N/A THR 628.A N ASP 625.A O no hydrogen 2.977 N/A GLU 631.A N LYS 641.A O no hydrogen 2.938 N/A ALA 633.A N ARG 639.A O no hydrogen 2.948 N/A ARG 639.A N SER 636.A OG no hydrogen 3.246 N/A TYR 640.A N ALA 654.A O no hydrogen 2.650 N/A LYS 641.A N GLU 631.A O no hydrogen 2.812 N/A GLY 642.A N TRP 652.A O no hydrogen 3.048 N/A LEU 643.A N GLU 629.A O no hydrogen 2.788 N/A ARG 645.A NE MET 626.A O no hydrogen 2.814 N/A ARG 645.A NH2 THR 628.A O no hydrogen 3.511 N/A THR 647.A N ASP 644.A O no hydrogen 3.213 N/A THR 647.A OG1 ASP 644.A OD2 no hydrogen 3.213 N/A LYS 651.A N GLY 642.A O no hydrogen 2.757 N/A LYS 651.A NZ THR 628.A OG1 no hydrogen 3.234 N/A ALA 654.A N TYR 640.A O no hydrogen 2.789 N/A THR 655.A N ASP 658.A OD2 no hydrogen 3.027 N/A THR 655.A OG1 ASP 658.A OD2 no hydrogen 3.302 N/A ARG 656.A NE GLU 569.A OE1 no hydrogen 2.846 N/A ARG 656.A NH1 TYR 640.A OH no hydrogen 3.123 N/A ARG 656.A NH2 GLU 569.A OE2 no hydrogen 2.735 N/A ILE 657.A N THR 655.A OG1 no hydrogen 3.136 N/A LEU 659.A N THR 655.A O no hydrogen 3.148 N/A ILE 660.A N ARG 656.A O no hydrogen 2.981 N/A PHE 661.A N ASP 658.A O no hydrogen 3.435 N/A GLY 662.A N LEU 659.A O no hydrogen 2.954 N/A SER 663.A N ILE 660.A O no hydrogen 3.090 N/A ASN 664.A N ILE 660.A O no hydrogen 2.953 N/A ARG 666.A NH1 ASP 20.A OD1 no hydrogen 3.529 N/A ARG 666.A NH1 ASP 20.A OD2 no hydrogen 2.751 N/A ARG 666.A NH2 ASP 20.A OD1 no hydrogen 2.748 N/A ARG 666.A NH2 ASP 20.A OD2 no hydrogen 3.521 N/A LEU 667.A N ASN 664.A OD1 no hydrogen 3.018 N/A ARG 668.A N ASN 664.A O no hydrogen 2.839 N/A ARG 668.A NE GLU 672.A OE2 no hydrogen 3.274 N/A ARG 668.A NH1 GLY 662.A O no hydrogen 3.004 N/A ALA 669.A N ASP 665.A O no hydrogen 3.268 N/A ILE 670.A N ARG 666.A O no hydrogen 3.322 N/A SER 671.A N LEU 667.A O no hydrogen 2.860 N/A SER 671.A OG PHE 661.A O no hydrogen 2.883 N/A SER 671.A OG LEU 667.A O no hydrogen 3.144 N/A GLU 672.A N ARG 668.A O no hydrogen 2.883 N/A VAL 673.A N ILE 670.A O no hydrogen 3.076 N/A TYR 674.A N ILE 670.A O no hydrogen 3.157 N/A TYR 674.A OH ASP 686.A OD2 no hydrogen 2.713 N/A GLY 675.A N SER 671.A O no hydrogen 2.860 N/A SER 676.A N VAL 673.A O no hydrogen 3.277 N/A SER 676.A OG GLU 672.A O no hydrogen 2.866 N/A SER 676.A OG VAL 673.A O no hydrogen 3.569 N/A ALA 679.A N SER 676.A O no hydrogen 3.067 N/A LYS 682.A NZ ASP 686.A OD1 no hydrogen 2.981 N/A LYS 682.A NZ ASP 686.A OD2 no hydrogen 3.190 N/A LEU 683.A N ALA 679.A O no hydrogen 2.750 N/A VAL 684.A N GLU 680.A O no hydrogen 2.930 N/A HIS 685.A N LYS 681.A O no hydrogen 2.967 N/A ASP 686.A N LYS 682.A O no hydrogen 2.918 N/A PHE 687.A N LEU 683.A O no hydrogen 2.775 N/A VAL 688.A N VAL 684.A O no hydrogen 3.035 N/A ASP 689.A N HIS 685.A O no hydrogen 3.005 N/A THR 690.A N ASP 686.A O no hydrogen 3.032 N/A THR 690.A OG1 ASP 686.A O no hydrogen 2.915 N/A TRP 691.A N PHE 687.A O no hydrogen 2.865 N/A TRP 691.A NE1 ASN 511.A OD1 no hydrogen 3.212 N/A SER 692.A N VAL 688.A O no hydrogen 2.846 N/A LYS 693.A N ASP 689.A O no hydrogen 2.925 N/A LYS 693.A NZ ASN 580.A O no hydrogen 2.640 N/A LYS 693.A NZ GLU 585.A OE1 no hydrogen 2.982 N/A LYS 693.A NZ GLU 585.A OE2 no hydrogen 3.351 N/A VAL 694.A N THR 690.A O no hydrogen 2.974 N/A MET 695.A N TRP 691.A O no hydrogen 2.966 N/A LYS 696.A N SER 692.A O no hydrogen 3.195 N/A LYS 696.A N LYS 693.A O no hydrogen 3.154 N/A LYS 696.A NZ PRO 528.A O no hydrogen 2.721 N/A LYS 696.A NZ SER 692.A OG no hydrogen 2.858 N/A LEU 697.A N VAL 694.A O no hydrogen 3.338 N/A ARG 699.A N LYS 696.A O no hydrogen 3.106 N/A ARG 699.A NE GLU 530.A OE2 no hydrogen 2.842 N/A ARG 699.A NH1 GLU 530.A OE2 no hydrogen 3.293 N/A