Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xl8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A N GLN 5.A OE1 no hydrogen 2.829 N/A ARG 2.A NE GLU 130.A OE1 no hydrogen 3.270 N/A ARG 2.A NH2 GLU 130.A OE1 no hydrogen 3.511 N/A THR 3.A N GLU 130.A O no hydrogen 3.199 N/A THR 3.A OG1 LEU 132.A O no hydrogen 2.512 N/A PHE 4.A N GLU 130.A OE1 no hydrogen 3.495 N/A GLN 5.A N ARG 2.A O no hydrogen 3.355 N/A TYR 6.A OH GLU 1.A OE1 no hydrogen 3.142 N/A GLN 7.A N PHE 4.A O no hydrogen 3.369 N/A GLN 7.A NE2 ASP 143.A OD1 no hydrogen 2.916 N/A SER 9.A N TYR 6.A O no hydrogen 3.056 N/A SER 9.A OG TYR 6.A O no hydrogen 2.872 N/A LEU 10.A N GLN 7.A O no hydrogen 3.379 N/A LEU 13.A N ARG 68.A O no hydrogen 2.934 N/A SER 21.A N ALA 17.A O no hydrogen 3.061 N/A SER 21.A OG HIS 472.A ND1 no hydrogen 2.558 N/A LEU 22.A N LEU 18.A O no hydrogen 3.040 N/A LYS 23.A N GLU 19.A O no hydrogen 3.006 N/A LYS 23.A NZ GLU 20.A OE2 no hydrogen 2.976 N/A LYS 24.A N GLU 20.A O no hydrogen 3.144 N/A LYS 24.A NZ ASP 462.A OD2 no hydrogen 3.501 N/A LYS 24.A NZ LYS 467.A O no hydrogen 2.709 N/A TYR 25.A N SER 21.A O no hydrogen 2.923 N/A LEU 26.A N LEU 22.A O no hydrogen 2.812 N/A GLU 27.A N LYS 23.A O no hydrogen 3.002 N/A SER 28.A N LYS 24.A O no hydrogen 3.062 N/A SER 28.A OG TYR 25.A O no hydrogen 2.717 N/A VAL 29.A N TYR 25.A O no hydrogen 3.298 N/A VAL 29.A N LEU 26.A O no hydrogen 3.405 N/A LYS 30.A NZ GLU 27.A OE1 no hydrogen 2.737 N/A PHE 32.A N VAL 29.A O no hydrogen 2.968 N/A ALA 33.A N LYS 30.A O no hydrogen 3.135 N/A ASN 34.A N GLU 37.A OE1 no hydrogen 2.848 N/A GLU 37.A N ASN 34.A OD1 no hydrogen 2.869 N/A TYR 38.A N ASN 34.A O no hydrogen 3.000 N/A LYS 39.A N GLU 35.A O no hydrogen 2.942 N/A LYS 39.A NZ GLU 42.A OE1 no hydrogen 3.452 N/A LYS 40.A N ASP 36.A O no hydrogen 2.864 N/A THR 41.A N GLU 37.A O no hydrogen 2.847 N/A THR 41.A OG1 GLU 37.A O no hydrogen 3.128 N/A THR 41.A OG1 ASP 493.A OD1 no hydrogen 3.524 N/A THR 41.A OG1 ASP 493.A OD2 no hydrogen 2.727 N/A GLU 42.A N TYR 38.A O no hydrogen 2.699 N/A GLU 43.A N LYS 39.A O no hydrogen 2.965 N/A ILE 44.A N LYS 40.A O no hydrogen 3.015 N/A VAL 45.A N THR 41.A O no hydrogen 2.828 N/A GLN 46.A N GLU 42.A O no hydrogen 3.014 N/A LYS 47.A N GLU 43.A O no hydrogen 3.108 N/A PHE 48.A N ILE 44.A O no hydrogen 2.990 N/A GLN 49.A N VAL 45.A O no hydrogen 2.898 N/A GLU 50.A N GLN 46.A O no hydrogen 3.123 N/A GLY 51.A N LYS 47.A O no hydrogen 2.763 N/A ARG 55.A N GLY 51.A O no hydrogen 3.356 N/A LEU 56.A N ALA 52.A O no hydrogen 2.856 N/A HIS 57.A N GLY 53.A O no hydrogen 2.758 N/A HIS 57.A ND1 HIS 472.A NE2 no hydrogen 3.116 N/A GLN 58.A N LYS 54.A O no hydrogen 3.137 N/A LYS 59.A N ARG 55.A O no hydrogen 3.044 N/A LEU 60.A N LEU 56.A O no hydrogen 2.871 N/A LEU 61.A N HIS 57.A O no hydrogen 2.908 N/A GLU 62.A N GLN 58.A O no hydrogen 3.165 N/A ARG 63.A N LYS 59.A O no hydrogen 3.116 N/A ARG 63.A NE TRP 70.A O no hydrogen 3.061 N/A ALA 64.A N LEU 60.A O no hydrogen 2.983 N/A ARG 65.A N LEU 61.A O no hydrogen 2.989 N/A ARG 65.A N GLU 62.A O no hydrogen 3.158 N/A GLY 66.A N ARG 63.A O no hydrogen 3.200 N/A LYS 67.A N ALA 64.A O no hydrogen 3.373 N/A ARG 68.A NH1 GLN 7.A O no hydrogen 3.439 N/A ARG 68.A NH2 GLN 7.A O no hydrogen 2.848 N/A ARG 68.A NH2 LEU 10.A O no hydrogen 2.896 N/A ASN 69.A ND2 TYR 418.A O no hydrogen 2.746 N/A TRP 70.A NE1 PRO 14.A O no hydrogen 3.138 N/A LEU 71.A N ASN 69.A OD1 no hydrogen 2.979 N/A GLU 72.A N ASN 69.A OD1 no hydrogen 2.853 N/A TRP 74.A NE1 GLU 482.A OE2 no hydrogen 3.110 N/A TRP 75.A N LEU 71.A O no hydrogen 2.809 N/A LEU 76.A N GLU 72.A O no hydrogen 3.134 N/A ASN 77.A N GLU 73.A O no hydrogen 3.017 N/A VAL 78.A N TRP 74.A O no hydrogen 2.797 N/A ALA 79.A N TRP 75.A O no hydrogen 2.854 N/A TYR 80.A N LEU 76.A O no hydrogen 3.154 N/A LEU 81.A N LEU 76.A O no hydrogen 2.879 N/A ASP 82.A N ASN 77.A O no hydrogen 2.682 N/A VAL 83.A N TYR 80.A O no hydrogen 3.279 N/A ARG 84.A NE ASP 82.A O no hydrogen 2.912 N/A ARG 84.A NH1 GLY 156.A O no hydrogen 2.712 N/A ARG 84.A NH2 LEU 81.A O no hydrogen 2.796 N/A ARG 84.A NH2 VAL 83.A O no hydrogen 3.329 N/A ARG 84.A NH2 ASP 160.A OD1 no hydrogen 2.800 N/A ASN 90.A N PRO 86.A O no hydrogen 3.245 N/A ASN 90.A ND2 PRO 86.A O no hydrogen 2.675 N/A VAL 91.A N SER 87.A O no hydrogen 2.686 N/A ASN 92.A N SER 87.A O no hydrogen 2.988 N/A PHE 93.A N CYS 309.A O no hydrogen 3.080 N/A VAL 94.A N VAL 520.A O no hydrogen 3.137 N/A GLY 95.A N CYS 307.A O no hydrogen 3.016 N/A CYS 97.A N PHE 305.A O no hydrogen 2.856 N/A GLU 101.A N PRO 98.A O no hydrogen 3.195 N/A TRP 104.A N HIS 99.A O no hydrogen 3.010 N/A TRP 104.A NE1 GLY 333.A O no hydrogen 3.104 N/A ARG 107.A N ASN 302.A O no hydrogen 2.882 N/A THR 110.A OG1 ARG 107.A O no hydrogen 2.987 N/A ARG 114.A N THR 110.A O no hydrogen 2.941 N/A ARG 114.A NH1 PRO 105.A O no hydrogen 2.629 N/A ARG 114.A NH1 GLY 303.A O no hydrogen 3.211 N/A ARG 114.A NH2 PRO 105.A O no hydrogen 2.845 N/A GLY 115.A N GLN 111.A O no hydrogen 2.981 N/A SER 116.A N LEU 112.A O no hydrogen 3.043 N/A SER 116.A N GLU 113.A O no hydrogen 3.055 N/A SER 116.A OG GLU 113.A O no hydrogen 2.544 N/A TRP 118.A N SER 116.A O no hydrogen 3.181 N/A LEU 121.A N LEU 117.A O no hydrogen 2.796 N/A ASN 122.A N TRP 118.A O no hydrogen 3.050 N/A TYR 123.A N HIS 119.A O no hydrogen 3.022 N/A TRP 124.A N ASN 120.A O no hydrogen 3.116 N/A GLN 125.A N LEU 121.A O no hydrogen 3.028 N/A LEU 126.A N ASN 122.A O no hydrogen 2.892 N/A LEU 127.A N TYR 123.A O no hydrogen 2.892 N/A ARG 128.A N TRP 124.A O no hydrogen 2.762 N/A ARG 128.A NH1 LYS 166.A O no hydrogen 2.858 N/A ARG 128.A NH1 GLY 171.A O no hydrogen 2.886 N/A ARG 128.A NH2 GLY 171.A O no hydrogen 3.105 N/A ARG 129.A N GLN 125.A O no hydrogen 2.992 N/A GLU 130.A N LEU 127.A O no hydrogen 2.794 N/A LYS 131.A N LEU 126.A O no hydrogen 2.765 N/A LYS 136.A NZ GLU 1.A OE1 no hydrogen 2.974 N/A SER 137.A N THR 140.A O no hydrogen 2.668 N/A THR 140.A N SER 137.A O no hydrogen 2.738 N/A LEU 142.A N HIS 135.A O no hydrogen 2.723 N/A ASP 143.A N ARG 415.A O no hydrogen 2.780 N/A ARG 147.A N ASN 144.A O no hydrogen 3.071 N/A ARG 147.A NH1 GLU 170.A OE1 no hydrogen 2.925 N/A ARG 147.A NH2 GLU 170.A OE1 no hydrogen 3.415 N/A ARG 147.A NH2 GLU 170.A OE2 no hydrogen 2.603 N/A SER 150.A N LEU 258.A O no hydrogen 2.878 N/A SER 150.A OG THR 256.A O no hydrogen 3.111 N/A THR 151.A OG1 ARG 147.A O no hydrogen 3.499 N/A THR 151.A OG1 PHE 149.A O no hydrogen 2.956 N/A THR 151.A OG1 ASN 163.A OD1 no hydrogen 2.916 N/A CYS 152.A SG LYS 153.A O no hydrogen 3.301 N/A CYS 152.A SG ASP 292.A O no hydrogen 3.470 N/A LYS 153.A N ASP 292.A O no hydrogen 2.656 N/A LYS 153.A NZ SER 87.A OG no hydrogen 3.342 N/A LYS 153.A NZ ASP 310.A OD1 no hydrogen 2.822 N/A VAL 154.A N SER 161.A O no hydrogen 2.845 N/A GLY 156.A N ASP 160.A OD1 no hydrogen 2.912 N/A ARG 159.A NE ASP 82.A OD1 no hydrogen 2.586 N/A ARG 159.A NH2 ASP 82.A OD2 no hydrogen 3.388 N/A ASP 160.A N LEU 81.A O no hydrogen 2.894 N/A SER 161.A N VAL 154.A O no hydrogen 2.877 N/A TYR 164.A N SER 150.A O no hydrogen 2.789 N/A THR 167.A N GLU 170.A OE1 no hydrogen 2.905 N/A GLU 168.A N ARG 128.A O no hydrogen 2.871 N/A SER 169.A OG GLU 130.A OE2 no hydrogen 3.513 N/A GLU 170.A N THR 167.A O no hydrogen 2.942 N/A GLU 170.A N THR 167.A OG1 no hydrogen 3.368 N/A GLY 171.A N THR 167.A O no hydrogen 3.070 N/A CYS 173.A SG PRO 174.A O no hydrogen 3.516 N/A THR 175.A OG1 ASP 189.A OD1 no hydrogen 3.448 N/A THR 175.A OG1 ASP 189.A OD2 no hydrogen 2.901 N/A HIS 176.A NE2 LYS 253.A O no hydrogen 2.779 N/A ILE 177.A N PHE 188.A O no hydrogen 3.195 N/A ALA 178.A N PHE 259.A O no hydrogen 3.199 N/A VAL 179.A N PHE 186.A O no hydrogen 2.633 N/A LEU 180.A N TYR 261.A O no hydrogen 2.916 N/A CYS 181.A N ARG 184.A O no hydrogen 2.773 N/A ARG 182.A NE CYS 213.A O no hydrogen 2.916 N/A ARG 182.A NH2 GLU 216.A O no hydrogen 2.559 N/A ARG 184.A N CYS 181.A O no hydrogen 2.638 N/A ARG 184.A NE GLU 349.A OE2 no hydrogen 2.615 N/A ARG 184.A NH1 LYS 212.A O no hydrogen 2.882 N/A ARG 184.A NH2 GLU 349.A OE1 no hydrogen 2.391 N/A ARG 184.A NH2 GLU 349.A OE2 no hydrogen 3.254 N/A PHE 186.A N VAL 179.A O no hydrogen 2.759 N/A VAL 187.A N GLU 348.A O no hydrogen 2.914 N/A PHE 188.A N ILE 177.A O no hydrogen 3.366 N/A VAL 190.A N THR 175.A O no hydrogen 3.010 N/A LEU 191.A N ASP 189.A OD1 no hydrogen 2.637 N/A HIS 192.A N CYS 195.A O no hydrogen 2.964 N/A CYS 195.A SG HIS 192.A O no hydrogen 3.899 N/A CYS 195.A SG LEU 196.A O no hydrogen 3.814 N/A ILE 197.A N VAL 190.A O no hydrogen 2.887 N/A THR 198.A N GLU 201.A OE1 no hydrogen 2.887 N/A THR 198.A OG1 GLU 201.A OE1 no hydrogen 3.384 N/A LEU 202.A N THR 198.A O no hydrogen 2.864 N/A LEU 203.A N PRO 199.A O no hydrogen 2.639 N/A LEU 203.A N PRO 200.A O no hydrogen 3.097 N/A ARG 204.A N PRO 200.A O no hydrogen 3.181 N/A ARG 204.A NH1 ILE 344.A O no hydrogen 2.972 N/A ARG 204.A NH2 ILE 344.A O no hydrogen 2.376 N/A GLN 205.A N GLU 201.A O no hydrogen 3.174 N/A LEU 206.A N LEU 202.A O no hydrogen 3.214 N/A THR 207.A N LEU 203.A O no hydrogen 2.940 N/A THR 207.A OG1 LEU 203.A O no hydrogen 2.667 N/A TYR 208.A N ARG 204.A O no hydrogen 2.810 N/A ILE 209.A N GLN 205.A O no hydrogen 3.426 N/A HIS 210.A N LEU 206.A O no hydrogen 2.946 N/A LYS 211.A N THR 207.A O no hydrogen 3.051 N/A LYS 212.A N TYR 208.A O no hydrogen 3.046 N/A CYS 213.A SG CYS 181.A O no hydrogen 3.981 N/A CYS 213.A SG ILE 209.A O no hydrogen 3.189 N/A SER 214.A N LYS 211.A O no hydrogen 3.048 N/A SER 214.A OG LYS 211.A O no hydrogen 2.991 N/A GLY 219.A N ARG 182.A O no hydrogen 2.710 N/A SER 221.A N GLY 183.A O no hydrogen 2.944 N/A SER 221.A OG GLY 219.A O no hydrogen 3.205 N/A ALA 224.A N SER 221.A O no hydrogen 3.100 N/A LEU 225.A N ILE 222.A O no hydrogen 3.043 N/A THR 226.A N ALA 223.A O no hydrogen 2.779 N/A THR 226.A OG1 GLN 88.A OE1 no hydrogen 3.060 N/A THR 226.A OG1 ALA 223.A O no hydrogen 2.641 N/A THR 226.A OG1 ARG 289.A O no hydrogen 3.215 N/A SER 227.A N ALA 224.A O no hydrogen 3.268 N/A SER 227.A OG ALA 224.A O no hydrogen 2.788 N/A GLU 228.A N LEU 225.A O no hydrogen 3.408 N/A GLU 229.A N GLU 228.A OE1 no hydrogen 3.060 N/A ARG 230.A N ARG 84.A O no hydrogen 2.876 N/A ARG 230.A NE ASP 160.A OD2 no hydrogen 2.590 N/A ARG 230.A NH1 THR 226.A O no hydrogen 3.524 N/A ARG 230.A NH1 ASP 292.A OD1 no hydrogen 3.239 N/A ARG 230.A NH2 ASP 160.A OD2 no hydrogen 2.929 N/A ARG 230.A NH2 ASP 292.A OD1 no hydrogen 3.067 N/A THR 231.A OG1 ILE 157.A O no hydrogen 2.692 N/A ARG 232.A N GLU 229.A OE1 no hydrogen 2.938 N/A ARG 232.A NE GLU 228.A OE2 no hydrogen 2.916 N/A ARG 232.A NH2 ASP 361.A OD1 no hydrogen 3.253 N/A TRP 233.A N GLU 229.A O no hydrogen 3.116 N/A TRP 233.A NE1 ASP 292.A OD2 no hydrogen 2.619 N/A ALA 234.A N ARG 230.A O no hydrogen 3.081 N/A LYS 235.A N THR 231.A O no hydrogen 2.865 N/A ALA 236.A N ARG 232.A O no hydrogen 2.732 N/A ARG 237.A N TRP 233.A O no hydrogen 2.857 N/A GLU 238.A N ALA 234.A O no hydrogen 3.307 N/A TYR 239.A N LYS 235.A O no hydrogen 3.175 N/A TYR 239.A OH ASP 355.A OD2 no hydrogen 2.567 N/A LEU 240.A N ALA 236.A O no hydrogen 2.837 N/A ILE 241.A N ARG 237.A O no hydrogen 2.986 N/A SER 242.A N GLU 238.A O no hydrogen 2.925 N/A SER 242.A OG TYR 239.A O no hydrogen 2.491 N/A LEU 243.A N TYR 239.A O no hydrogen 3.060 N/A ASP 244.A N ILE 241.A O no hydrogen 2.921 N/A GLU 246.A N ASP 244.A OD1 no hydrogen 2.776 N/A ASN 247.A N ASP 244.A O no hydrogen 2.789 N/A ASN 247.A ND2 LEU 240.A O no hydrogen 2.628 N/A ASN 247.A ND2 ASP 244.A O no hydrogen 3.378 N/A ASN 247.A ND2 THR 353.A O no hydrogen 3.148 N/A LEU 250.A N GLU 246.A O no hydrogen 3.154 N/A LEU 251.A N ASN 247.A O no hydrogen 3.011 N/A GLU 252.A N LEU 248.A O no hydrogen 3.030 N/A LYS 253.A N THR 249.A O no hydrogen 3.059 N/A ILE 254.A N LEU 250.A O no hydrogen 3.135 N/A GLN 255.A N LEU 251.A O no hydrogen 2.931 N/A THR 256.A N GLU 252.A O no hydrogen 2.895 N/A THR 256.A OG1 GLU 252.A O no hydrogen 2.807 N/A THR 256.A OG1 LYS 253.A O no hydrogen 3.244 N/A SER 257.A N LYS 253.A O no hydrogen 3.178 N/A SER 257.A OG ILE 254.A O no hydrogen 2.803 N/A SER 257.A OG PHE 259.A O no hydrogen 3.385 N/A LEU 258.A N HIS 176.A O no hydrogen 2.792 N/A VAL 260.A N TYR 295.A O no hydrogen 3.358 N/A TYR 261.A N ALA 178.A O no hydrogen 2.812 N/A SER 262.A N LEU 297.A O no hydrogen 2.832 N/A SER 262.A OG VAL 288.A O no hydrogen 2.518 N/A ILE 263.A N LEU 180.A O no hydrogen 3.105 N/A GLU 264.A N SER 299.A O no hydrogen 2.838 N/A SER 266.A OG GLU 264.A OE1 no hydrogen 3.550 N/A SER 267.A OG GLU 108.A OE2 no hydrogen 2.770 N/A THR 271.A N GLU 274.A O no hydrogen 2.997 N/A THR 271.A OG1 GLU 274.A O no hydrogen 3.390 N/A GLU 273.A N THR 271.A OG1 no hydrogen 3.328 N/A GLU 274.A N THR 271.A OG1 no hydrogen 2.991 N/A SER 276.A OG GLU 274.A OE2 no hydrogen 3.227 N/A VAL 278.A N TYR 275.A O no hydrogen 2.675 N/A GLU 280.A N SER 276.A O no hydrogen 3.217 N/A LEU 282.A N PHE 279.A O no hydrogen 2.936 N/A GLY 283.A N GLU 280.A O no hydrogen 2.726 N/A SER 287.A N ASP 285.A OD1 no hydrogen 2.916 N/A SER 287.A OG ASP 285.A OD1 no hydrogen 2.373 N/A VAL 288.A N ASP 285.A O no hydrogen 3.124 N/A ARG 289.A N PRO 286.A O no hydrogen 3.253 N/A ARG 289.A NE GLU 264.A OE2 no hydrogen 3.030 N/A ARG 289.A NH1 LEU 281.A O no hydrogen 2.846 N/A TRP 290.A N ASN 296.A OD1 no hydrogen 3.113 N/A GLY 291.A N THR 226.A OG1 no hydrogen 3.184 N/A LYS 293.A N TRP 290.A O no hydrogen 2.895 N/A LYS 293.A NZ THR 151.A O no hydrogen 3.466 N/A LYS 293.A NZ ILE 254.A O no hydrogen 3.091 N/A LYS 293.A NZ SER 257.A O no hydrogen 2.765 N/A SER 294.A N THR 151.A O no hydrogen 3.256 N/A SER 294.A OG LEU 148.A O no hydrogen 3.226 N/A SER 294.A OG THR 151.A O no hydrogen 3.327 N/A TYR 295.A OH ASN 120.A OD1 no hydrogen 2.592 N/A ASN 296.A N CYS 308.A O no hydrogen 3.056 N/A ASN 296.A ND2 VAL 260.A O no hydrogen 3.012 N/A ASN 296.A ND2 SER 262.A OG no hydrogen 2.818 N/A ASN 296.A ND2 LEU 297.A O no hydrogen 3.428 N/A LEU 297.A N VAL 260.A O no hydrogen 2.905 N/A ILE 298.A N GLY 306.A O no hydrogen 2.602 N/A SER 299.A N SER 262.A O no hydrogen 2.820 N/A SER 299.A OG TYR 261.A OH no hydrogen 3.364 N/A PHE 300.A N ILE 304.A O no hydrogen 2.922 N/A ALA 301.A N SER 266.A O no hydrogen 2.975 N/A ASN 302.A ND2 PRO 268.A O no hydrogen 2.756 N/A GLY 303.A N PHE 300.A O no hydrogen 3.347 N/A ILE 304.A N ASN 302.A OD1 no hydrogen 3.193 N/A GLY 306.A N ILE 298.A O no hydrogen 2.961 N/A CYS 307.A N GLY 95.A O no hydrogen 2.802 N/A CYS 307.A SG TYR 295.A OH no hydrogen 3.882 N/A CYS 308.A N ASN 296.A O no hydrogen 3.098 N/A CYS 308.A SG ASN 92.A OD1 no hydrogen 3.727 N/A CYS 309.A N PHE 93.A O no hydrogen 2.907 N/A CYS 309.A SG TYR 314.A OH no hydrogen 3.917 N/A HIS 311.A ND1 HIS 311.A O no hydrogen 2.662 N/A ALA 312.A N ASP 310.A OD1 no hydrogen 3.133 N/A TYR 314.A OH SER 294.A O no hydrogen 2.607 N/A ASP 315.A N GLN 145.A OE1 no hydrogen 2.782 N/A ILE 320.A N VAL 317.A O no hydrogen 3.176 N/A HIS 322.A N VAL 318.A O no hydrogen 2.884 N/A HIS 322.A ND1 LEU 515.A O no hydrogen 3.104 N/A TYR 323.A N ASN 319.A O no hydrogen 2.853 N/A VAL 324.A N ILE 320.A O no hydrogen 2.867 N/A ASP 325.A N ALA 321.A O no hydrogen 3.036 N/A GLU 326.A N HIS 322.A O no hydrogen 2.947 N/A ARG 327.A N TYR 323.A O no hydrogen 3.020 N/A ARG 327.A NE GLU 330.A OE1 no hydrogen 2.938 N/A VAL 328.A N VAL 324.A O no hydrogen 2.779 N/A LEU 329.A N ASP 325.A O no hydrogen 3.039 N/A GLU 330.A N GLU 326.A O no hydrogen 2.961 N/A THR 331.A N ARG 327.A O no hydrogen 3.146 N/A THR 331.A OG1 ARG 327.A O no hydrogen 2.952 N/A THR 331.A OG1 VAL 328.A O no hydrogen 3.359 N/A GLU 332.A N LEU 329.A O no hydrogen 3.199 N/A GLY 333.A N VAL 328.A O no hydrogen 2.731 N/A ARG 334.A N THR 331.A O no hydrogen 2.818 N/A TRP 335.A NE1 SER 338.A O no hydrogen 2.771 N/A LYS 340.A N SER 338.A OG no hydrogen 3.165 N/A ARG 342.A N GLU 201.A OE2 no hydrogen 3.093 N/A ARG 342.A NE GLU 201.A OE2 no hydrogen 2.762 N/A ARG 342.A NH1 HIS 192.A O no hydrogen 3.358 N/A ARG 342.A NH2 GLU 201.A OE1 no hydrogen 2.829 N/A GLU 348.A N VAL 187.A O no hydrogen 2.972 N/A LEU 350.A N ALA 185.A O no hydrogen 2.616 N/A THR 353.A N ASN 247.A OD1 no hydrogen 2.779 N/A THR 353.A OG1 ASP 244.A OD2 no hydrogen 2.573 N/A LYS 357.A NZ ASP 361.A OD1 no hydrogen 3.495 N/A LYS 357.A NZ ASP 361.A OD2 no hydrogen 3.113 N/A ILE 358.A N ASP 355.A OD1 no hydrogen 3.157 N/A ASN 360.A N GLU 356.A O no hydrogen 3.227 N/A ASN 360.A N LYS 357.A O no hydrogen 2.592 N/A ASP 361.A N LYS 357.A O no hydrogen 2.908 N/A VAL 362.A N ILE 358.A O no hydrogen 2.732 N/A SER 363.A N LEU 359.A O no hydrogen 3.014 N/A GLN 364.A N ASN 360.A O no hydrogen 2.851 N/A ALA 365.A N ASP 361.A O no hydrogen 2.813 N/A LYS 366.A N VAL 362.A O no hydrogen 3.140 N/A ALA 367.A N SER 363.A O no hydrogen 3.282 N/A GLN 368.A N GLN 364.A O no hydrogen 2.922 N/A GLN 368.A NE2 SER 227.A O no hydrogen 2.760 N/A GLN 368.A NE2 ALA 365.A O no hydrogen 2.888 N/A HIS 369.A N ALA 365.A O no hydrogen 3.070 N/A LEU 370.A N LYS 366.A O no hydrogen 2.887 N/A LYS 371.A N ALA 367.A O no hydrogen 2.893 N/A ALA 372.A N GLN 368.A O no hydrogen 2.928 N/A ALA 373.A N HIS 369.A O no hydrogen 2.850 N/A SER 374.A N LEU 370.A O no hydrogen 3.116 N/A SER 374.A N LYS 371.A O no hydrogen 3.285 N/A SER 374.A OG LYS 371.A O no hydrogen 2.517 N/A ASP 375.A N ALA 372.A O no hydrogen 3.172 N/A LEU 376.A N ALA 373.A O no hydrogen 3.006 N/A GLN 377.A N SER 545.A O no hydrogen 2.941 N/A ALA 379.A N CYS 543.A O no hydrogen 2.801 N/A SER 381.A N VAL 541.A O no hydrogen 3.122 N/A PHE 383.A N PHE 539.A O no hydrogen 2.642 N/A THR 389.A OG1 ASN 459.A OD1 no hydrogen 2.602 N/A PHE 390.A N HIS 386.A O no hydrogen 2.890 N/A ILE 391.A N PRO 387.A O no hydrogen 2.960 N/A GLN 392.A N ASP 388.A O no hydrogen 2.904 N/A GLN 392.A NE2 THR 509.A OG1 no hydrogen 3.076 N/A GLN 392.A NE2 TYR 532.A OH no hydrogen 2.885 N/A LEU 393.A N THR 389.A O no hydrogen 2.984 N/A ALA 394.A N PHE 390.A O no hydrogen 3.028 N/A LEU 395.A N ILE 391.A O no hydrogen 2.891 N/A GLN 396.A N GLN 392.A O no hydrogen 3.047 N/A GLN 396.A NE2 GLY 407.A O no hydrogen 3.273 N/A LEU 397.A N LEU 393.A O no hydrogen 2.934 N/A ALA 398.A N ALA 394.A O no hydrogen 2.887 N/A TYR 399.A N LEU 395.A O no hydrogen 2.865 N/A TYR 400.A N GLN 396.A O no hydrogen 2.899 N/A ARG 401.A N LEU 397.A O no hydrogen 2.841 N/A ARG 401.A NH1 ASP 566.A OD2 no hydrogen 2.944 N/A ARG 401.A NH2 ASP 566.A OD2 no hydrogen 2.901 N/A LEU 402.A N ALA 398.A O no hydrogen 2.916 N/A HIS 403.A N TYR 399.A O no hydrogen 2.775 N/A HIS 403.A NE2 TYR 528.A OH no hydrogen 2.760 N/A CYS 408.A SG ARG 498.A O no hydrogen 3.883 N/A CYS 408.A SG ASN 504.A O no hydrogen 3.470 N/A CYS 409.A SG GLN 392.A OE1 no hydrogen 3.505 N/A CYS 409.A SG TYR 410.A O no hydrogen 3.709 N/A CYS 409.A SG SER 427.A OG no hydrogen 3.591 N/A CYS 409.A SG LEU 507.A O no hydrogen 3.876 N/A CYS 409.A SG THR 509.A OG1 no hydrogen 3.769 N/A TYR 410.A N LEU 507.A O no hydrogen 2.806 N/A GLU 411.A N VAL 425.A O no hydrogen 2.885 N/A THR 412.A N THR 509.A O no hydrogen 3.259 N/A THR 412.A OG1 THR 509.A O no hydrogen 3.539 N/A ALA 413.A N GLU 423.A O no hydrogen 2.879 N/A ARG 415.A NE ASP 143.A O no hydrogen 3.132 N/A ARG 415.A NH1 HIS 135.A ND1 no hydrogen 3.505 N/A ARG 415.A NH2 HIS 135.A ND1 no hydrogen 2.705 N/A ARG 415.A NH2 ASP 143.A O no hydrogen 3.189 N/A PHE 417.A N THR 414.A O no hydrogen 3.202 N/A TYR 418.A N PRO 11.A O no hydrogen 2.921 N/A HIS 419.A N ASP 143.A OD1 no hydrogen 2.766 N/A HIS 419.A ND1 GLU 72.A OE2 no hydrogen 2.438 N/A GLY 420.A N PHE 417.A O no hydrogen 2.846 N/A ARG 421.A NE ASP 315.A OD1 no hydrogen 3.408 N/A ARG 421.A NE ASP 315.A OD2 no hydrogen 3.150 N/A ARG 421.A NH1 ALA 312.A O no hydrogen 2.752 N/A ARG 421.A NH2 HIS 311.A O no hydrogen 3.036 N/A ARG 421.A NH2 ALA 312.A O no hydrogen 3.548 N/A ARG 421.A NH2 ASP 315.A OD1 no hydrogen 2.894 N/A GLU 423.A N ALA 413.A O no hydrogen 2.665 N/A THR 424.A N GLU 423.A OE2 no hydrogen 3.008 N/A VAL 425.A N GLU 411.A O no hydrogen 2.856 N/A ARG 426.A NE ASP 470.A OD1 no hydrogen 3.407 N/A ARG 426.A NE ASP 470.A OD2 no hydrogen 2.943 N/A ARG 426.A NH1 SER 499.A OG no hydrogen 3.107 N/A ARG 426.A NH2 ASP 470.A OD1 no hydrogen 2.972 N/A SER 427.A OG GLN 392.A OE1 no hydrogen 2.516 N/A CYS 428.A SG GLN 396.A OE1 no hydrogen 3.425 N/A THR 429.A N SER 427.A O no hydrogen 2.895 N/A THR 429.A OG1 GLU 431.A OE1 no hydrogen 3.524 N/A GLU 431.A N GLU 431.A OE1 no hydrogen 2.535 N/A ALA 432.A N THR 429.A OG1 no hydrogen 3.080 N/A VAL 433.A N THR 429.A O no hydrogen 3.087 N/A ARG 434.A N VAL 430.A O no hydrogen 2.891 N/A TRP 435.A N GLU 431.A O no hydrogen 2.994 N/A CYS 436.A N ALA 432.A O no hydrogen 2.909 N/A CYS 436.A SG ALA 432.A O no hydrogen 3.367 N/A GLN 437.A N VAL 433.A O no hydrogen 2.904 N/A SER 438.A N ARG 434.A O no hydrogen 3.097 N/A SER 438.A OG TRP 435.A O no hydrogen 2.604 N/A ASP 440.A N SER 438.A O no hydrogen 3.062 N/A SER 442.A N ASP 440.A OD1 no hydrogen 2.979 N/A SER 442.A OG ASP 440.A OD1 no hydrogen 2.795 N/A SER 442.A OG ASP 440.A OD2 no hydrogen 3.407 N/A ALA 443.A N ASP 440.A O no hydrogen 2.834 N/A GLU 447.A N SER 444.A OG no hydrogen 3.218 N/A ARG 448.A N SER 444.A O no hydrogen 3.077 N/A ARG 448.A NE SER 438.A O no hydrogen 3.020 N/A ARG 448.A NH2 ASP 440.A O no hydrogen 2.957 N/A GLN 449.A N LEU 445.A O no hydrogen 3.003 N/A GLN 449.A NE2 LEU 569.A O no hydrogen 3.420 N/A GLN 449.A NE2 ALA 572.A O no hydrogen 3.632 N/A GLN 450.A N LEU 446.A O no hydrogen 3.013 N/A LYS 451.A N GLU 447.A O no hydrogen 2.891 N/A LYS 451.A NZ GLU 447.A OE2 no hydrogen 2.903 N/A GLU 453.A N GLN 450.A O no hydrogen 3.151 N/A ALA 454.A N LYS 451.A O no hydrogen 3.017 N/A ALA 456.A N LEU 452.A O no hydrogen 2.955 N/A LYS 457.A N GLU 453.A O no hydrogen 3.067 N/A HIS 458.A N ALA 454.A O no hydrogen 2.946 N/A ASN 459.A N PHE 455.A O no hydrogen 2.785 N/A LYS 460.A N ALA 456.A O no hydrogen 3.125 N/A LYS 460.A NZ ASP 462.A OD1 no hydrogen 3.498 N/A ASP 462.A N LYS 460.A O no hydrogen 2.870 N/A CYS 463.A SG THR 424.A O no hydrogen 3.386 N/A SER 464.A OG LYS 461.A O no hydrogen 2.812 N/A SER 464.A OG HIS 465.A ND1 no hydrogen 3.177 N/A HIS 465.A N LYS 461.A O no hydrogen 3.055 N/A HIS 465.A ND1 LYS 461.A O no hydrogen 2.778 N/A HIS 465.A ND1 SER 464.A OG no hydrogen 3.177 N/A GLY 466.A N CYS 463.A O no hydrogen 3.046 N/A LYS 467.A N ASP 462.A O no hydrogen 2.703 N/A ARG 471.A N GLU 423.A OE2 no hydrogen 3.114 N/A ARG 471.A NE THR 422.A O no hydrogen 3.080 N/A ARG 471.A NH1 THR 424.A OG1 no hydrogen 2.631 N/A ARG 471.A NH2 TYR 410.A OH no hydrogen 2.690 N/A ARG 471.A NH2 THR 422.A OG1 no hydrogen 3.012 N/A HIS 472.A ND1 SER 21.A OG no hydrogen 2.558 N/A HIS 472.A NE2 HIS 57.A ND1 no hydrogen 3.116 N/A LEU 473.A N PHE 469.A O no hydrogen 2.940 N/A LEU 474.A N ASP 470.A O no hydrogen 3.179 N/A GLY 475.A N ARG 471.A O no hydrogen 2.910 N/A LEU 476.A N HIS 472.A O no hydrogen 3.150 N/A LEU 477.A N LEU 473.A O no hydrogen 3.034 N/A LEU 478.A N LEU 474.A O no hydrogen 2.783 N/A ILE 479.A N GLY 475.A O no hydrogen 2.803 N/A ILE 479.A N LEU 476.A O no hydrogen 3.067 N/A ALA 480.A N LEU 476.A O no hydrogen 3.139 N/A LYS 481.A N LEU 477.A O no hydrogen 3.043 N/A GLU 482.A N LEU 478.A O no hydrogen 3.039 N/A GLU 483.A N ALA 480.A O no hydrogen 2.978 N/A GLY 484.A N LYS 481.A O no hydrogen 2.863 N/A LEU 485.A N ALA 480.A O no hydrogen 2.958 N/A PHE 491.A N PRO 488.A O no hydrogen 3.135 N/A GLU 492.A N GLU 489.A O no hydrogen 2.891 N/A ASP 493.A N GLU 489.A O no hydrogen 3.138 N/A LEU 495.A N ASP 493.A OD1 no hydrogen 2.997 N/A PHE 496.A N ASP 493.A O no hydrogen 3.008 N/A SER 497.A OG PRO 494.A O no hydrogen 3.275 N/A ARG 498.A N PRO 494.A O no hydrogen 3.114 N/A ARG 498.A NH1 PHE 32.A O no hydrogen 2.756 N/A ARG 498.A NH1 GLU 37.A OE1 no hydrogen 3.416 N/A ARG 498.A NH1 GLU 37.A OE2 no hydrogen 2.959 N/A ARG 498.A NH2 GLU 37.A OE2 no hydrogen 3.281 N/A SER 499.A N LEU 495.A O no hydrogen 2.886 N/A SER 499.A OG LEU 495.A O no hydrogen 3.001 N/A SER 499.A OG PHE 496.A O no hydrogen 2.928 N/A GLY 500.A N SER 497.A O no hydrogen 3.133 N/A GLY 501.A N PHE 496.A O no hydrogen 2.888 N/A ASN 504.A N GLY 500.A O no hydrogen 3.008 N/A ASN 504.A ND2 GLY 501.A O no hydrogen 2.907 N/A LEU 507.A N CYS 408.A O no hydrogen 3.192 N/A SER 508.A N TYR 528.A O no hydrogen 2.998 N/A THR 509.A N TYR 410.A O no hydrogen 2.840 N/A THR 509.A OG1 TYR 410.A O no hydrogen 2.814 N/A SER 510.A OG LEU 511.A O no hydrogen 3.196 N/A VAL 512.A N TYR 532.A O no hydrogen 2.785 N/A ARG 516.A NE ASP 325.A OD2 no hydrogen 3.310 N/A ARG 516.A NH2 ASP 325.A OD2 no hydrogen 3.137 N/A GLN 518.A NE2 GLY 519.A O no hydrogen 2.786 N/A VAL 520.A N VAL 94.A O no hydrogen 2.955 N/A GLY 527.A N VAL 524.A O no hydrogen 2.769 N/A TYR 528.A N VAL 506.A O no hydrogen 2.671 N/A TYR 528.A OH HIS 403.A NE2 no hydrogen 2.760 N/A GLY 529.A N SER 544.A O no hydrogen 2.894 N/A PHE 530.A N SER 508.A O no hydrogen 2.785 N/A PHE 531.A N ALA 542.A O no hydrogen 2.924 N/A TYR 532.A OH ASP 388.A OD1 no hydrogen 2.608 N/A HIS 533.A N VAL 540.A O no hydrogen 2.952 N/A ILE 534.A N GLY 513.A O no hydrogen 3.069 N/A ARG 535.A N ARG 538.A O no hydrogen 2.942 N/A ARG 535.A NH1 GLU 101.A OE1 no hydrogen 2.872 N/A ARG 535.A NH2 GLU 101.A OE2 no hydrogen 2.891 N/A ARG 538.A N ARG 535.A O no hydrogen 3.189 N/A ARG 538.A NE ASP 537.A OD2 no hydrogen 3.022 N/A ARG 538.A NH2 ASP 537.A OD2 no hydrogen 2.873 N/A PHE 539.A N PHE 383.A O no hydrogen 2.860 N/A VAL 540.A N HIS 533.A O no hydrogen 3.152 N/A VAL 541.A N SER 381.A O no hydrogen 2.934 N/A ALA 542.A N PHE 531.A O no hydrogen 2.862 N/A CYS 543.A N ALA 379.A O no hydrogen 2.732 N/A CYS 543.A SG GLY 529.A O no hydrogen 3.463 N/A CYS 543.A SG SER 544.A O no hydrogen 3.935 N/A CYS 543.A SG ALA 554.A O no hydrogen 3.954 N/A SER 544.A N GLY 529.A O no hydrogen 2.738 N/A SER 544.A OG VAL 521.A O no hydrogen 2.704 N/A SER 545.A N GLN 377.A O no hydrogen 3.040 N/A SER 545.A OG GLN 377.A OE1 no hydrogen 3.368 N/A ARG 547.A N ASP 375.A O no hydrogen 2.898 N/A ARG 547.A NH1 SER 374.A O no hydrogen 3.188 N/A SER 548.A N ASP 375.A OD1 no hydrogen 2.643 N/A SER 548.A OG ASP 375.A OD1 no hydrogen 3.263 N/A SER 548.A OG ASP 375.A OD2 no hydrogen 2.493 N/A CYS 549.A N TRP 546.A O no hydrogen 3.049 N/A ASP 553.A N TYR 528.A OH no hydrogen 2.963 N/A ALA 554.A N SER 545.A OG no hydrogen 3.019 N/A LYS 556.A N ASP 553.A OD1 no hydrogen 2.965 N/A LEU 557.A N ASP 553.A O no hydrogen 3.188 N/A VAL 558.A N ALA 554.A O no hydrogen 3.133 N/A GLN 559.A N GLU 555.A O no hydrogen 3.042 N/A PHE 561.A N VAL 558.A O no hydrogen 3.136 N/A HIS 562.A N GLN 559.A O no hydrogen 3.114 N/A PHE 564.A N ILE 560.A O no hydrogen 2.765 N/A HIS 565.A N PHE 561.A O no hydrogen 3.006 N/A ASP 566.A N HIS 562.A O no hydrogen 2.877 N/A GLN 568.A N HIS 565.A O no hydrogen 2.980 N/A LEU 569.A N ASP 566.A O no hydrogen 3.094 N/A THR 571.A N GLN 568.A O no hydrogen 2.652 N/A THR 571.A OG1 GLN 568.A O no hydrogen 2.823 N/A