Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2yk0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A NE TYR 260.A OH no hydrogen 3.402 N/A VAL 7.A N SER 3.A O no hydrogen 3.279 N/A LEU 8.A N ALA 4.A O no hydrogen 3.017 N/A GLU 9.A N ARG 5.A O no hydrogen 2.910 N/A ASN 10.A N ASN 6.A O no hydrogen 3.118 N/A ASN 10.A ND2 LYS 263.A O no hydrogen 3.196 N/A ILE 11.A N VAL 7.A O no hydrogen 3.018 N/A GLY 12.A N LEU 8.A O no hydrogen 3.059 N/A ILE 13.A N GLU 9.A O no hydrogen 3.027 N/A LYS 14.A NZ ASN 402.A OD1 no hydrogen 2.796 N/A ILE 15.A N GLY 12.A O no hydrogen 3.204 N/A TYR 16.A N GLY 12.A O no hydrogen 2.802 N/A ASN 17.A N ILE 13.A O no hydrogen 2.615 N/A GLU 19.A N ILE 15.A O no hydrogen 3.312 N/A GLU 19.A N TYR 16.A O no hydrogen 2.961 N/A ILE 20.A N TYR 16.A O no hydrogen 3.122 N/A LYS 23.A NZ GLU 27.A OE1 no hydrogen 2.677 N/A ASN 24.A ND2 TYR 222.A OH no hydrogen 2.763 N/A TYR 26.A N ASN 24.A OD1 no hydrogen 2.931 N/A GLN 29.A N TYR 26.A O no hydrogen 2.897 N/A LEU 30.A N GLU 27.A O no hydrogen 2.953 N/A LYS 31.A N GLU 27.A O no hydrogen 2.956 N/A GLY 32.A N ASN 242.A OD1 no hydrogen 3.008 N/A ARG 36.A N THR 33.A O no hydrogen 2.961 N/A ALA 37.A N LEU 34.A O no hydrogen 3.050 N/A GLN 38.A N ASP 138.A OD1 no hydrogen 3.187 N/A PHE 39.A N ARG 51.A O no hydrogen 3.178 N/A VAL 40.A N ASN 67.A OD1 no hydrogen 3.052 N/A LEU 43.A N ASP 41.A OD1 no hydrogen 2.708 N/A SER 44.A N ASP 41.A OD1 no hydrogen 3.291 N/A SER 44.A OG ASP 41.A OD2 no hydrogen 3.550 N/A SER 45.A N ASP 41.A O no hydrogen 3.061 N/A ARG 46.A N ALA 42.A O no hydrogen 2.895 N/A TYR 47.A N LEU 43.A O no hydrogen 2.765 N/A GLY 48.A N SER 45.A O no hydrogen 3.252 N/A TYR 49.A N SER 44.A O no hydrogen 2.776 N/A ARG 51.A N PHE 39.A O no hydrogen 3.031 N/A ARG 51.A NH1.A ASN 52.A O no hydrogen 3.265 N/A SER 53.A OG ASP 54.A O no hydrogen 2.886 N/A ASN 56.A N ASP 54.A OD2 no hydrogen 2.864 N/A CYS 58.A SG HIS 279.A NE2 no hydrogen 3.880 N/A ASN 59.A N ASN 56.A O no hydrogen 3.427 N/A ASN 59.A ND2 ASP 54.A OD2 no hydrogen 3.187 N/A LEU 60.A N SER 57.A O no hydrogen 3.270 N/A HIS 62.A N TYR 149.A OH no hydrogen 2.732 N/A HIS 62.A ND1 TYR 149.A OH no hydrogen 2.814 N/A PHE 64.A N ASP 61.A O no hydrogen 2.877 N/A HIS 65.A N ASP 61.A O no hydrogen 2.789 N/A LYS 69.A NZ VAL 40.A O no hydrogen 3.199 N/A ASN 73.A ND2 LYS 77.A O no hydrogen 2.793 N/A ASN 73.A ND2 GLN 123.A OE1.B no hydrogen 2.715 N/A ARG 76.A NH1 GLU 74.A O no hydrogen 2.937 N/A ARG 76.A NH2 LEU 63.A O no hydrogen 2.739 N/A LYS 77.A N ASN 73.A OD1 no hydrogen 3.020 N/A LYS 77.A NZ ASN 73.A OD1 no hydrogen 3.161 N/A GLN 84.A N ARG 82.A O no hydrogen 2.754 N/A GLN 84.A NE2 GLY 81.A O no hydrogen 3.425 N/A ASN 85.A ND2 ASP 157.A OD1 no hydrogen 2.718 N/A ARG 86.A N TYR 153.A OH no hydrogen 3.135 N/A ARG 86.A NE ARG 116.A O no hydrogen 3.287 N/A ARG 86.A NH2 GLU 150.A OE1 no hydrogen 3.207 N/A ALA 91.A N ASP 88.A O no hydrogen 3.098 N/A TYR 94.A N ALA 113.A O no hydrogen 2.975 N/A ARG 101.A N MET 190.A O no hydrogen 2.731 N/A ARG 101.A NH1 ASP 189.A O no hydrogen 2.551 N/A ARG 101.A NH2 ASP 197.A OD2 no hydrogen 3.027 N/A ASN 103.A ND2 CYS 95.A O no hydrogen 3.484 N/A ASN 103.A ND2 ASN 96.A O no hydrogen 3.549 N/A ASN 103.A ND2 ALA 111.A O no hydrogen 2.883 N/A ALA 110.A N LYS 375.A O no hydrogen 2.947 N/A ALA 111.A N ASN 103.A OD1 no hydrogen 2.915 N/A ALA 113.A N TYR 94.A O no hydrogen 2.941 N/A ARG 116.A NE GLU 300.A OE1 no hydrogen 3.322 N/A ARG 116.A NE GLU 300.A OE2 no hydrogen 3.040 N/A ARG 116.A NH1 SER 177.A OG no hydrogen 2.851 N/A ARG 116.A NH2 ASP 180.A OD2 no hydrogen 2.606 N/A ARG 116.A NH2 GLU 300.A OE1 no hydrogen 3.186 N/A ARG 117.A NE ASP 189.A OD1 no hydrogen 3.000 N/A ARG 117.A NH1 ARG 117.A O no hydrogen 2.817 N/A ARG 117.A NH2 ASP 189.A OD2 no hydrogen 2.810 N/A ARG 118.A N PRO 114.A O no hydrogen 3.091 N/A ARG 118.A NH1 GLU 92.A O no hydrogen 3.016 N/A HIS 119.A N PRO 115.A O no hydrogen 3.319 N/A ILE 120.A N ARG 117.A O no hydrogen 2.985 N/A CYS 121.A N GLU 150.A OE1 no hydrogen 2.723 N/A CYS 121.A SG GLU 150.A OE1 no hydrogen 3.420 N/A GLN 123.A N PRO 78.A O no hydrogen 3.022 N/A GLN 123.A NE2.A TYR 80.A O no hydrogen 2.638 N/A GLN 123.A NE2.A GLU 83.A OE1 no hydrogen 3.091 N/A ASN 124.A ND2 CYS 121.A O no hydrogen 3.698 N/A ASN 124.A ND2 THR 146.A OG1 no hydrogen 2.503 N/A LEU 125.A N ASP 122.A O no hydrogen 3.053 N/A GLU 126.A N GLN 123.A O no hydrogen 3.385 N/A PHE 127.A N ASN 124.A O no hydrogen 3.385 N/A ASN 130.A ND2 PHE 127.A O no hydrogen 2.559 N/A ASN 132.A N ASN 130.A OD1 no hydrogen 3.007 N/A THR 133.A N ASN 130.A O no hydrogen 3.309 N/A THR 133.A N ASN 130.A OD1 no hydrogen 2.819 N/A THR 133.A OG1 LEU 128.A O no hydrogen 3.310 N/A THR 133.A OG1 ASN 130.A OD1 no hydrogen 2.456 N/A ASN 134.A N ASP 138.A OD2 no hydrogen 2.924 N/A ASN 134.A ND2 LYS 131.A O no hydrogen 3.093 N/A THR 135.A N ASP 138.A OD2 no hydrogen 3.150 N/A THR 135.A OG1 HIS 137.A ND1 no hydrogen 3.171 N/A HIS 137.A ND1 THR 135.A OG1 no hydrogen 3.171 N/A ASP 138.A N THR 135.A OG1 no hydrogen 3.062 N/A LEU 139.A N THR 135.A O no hydrogen 3.225 N/A LEU 140.A N ALA 136.A O no hydrogen 3.092 N/A GLY 141.A N HIS 137.A O no hydrogen 3.045 N/A ASN 142.A N ASP 138.A O no hydrogen 3.103 N/A ASN 142.A N LEU 139.A O no hydrogen 2.874 N/A VAL 143.A N LEU 139.A O no hydrogen 2.922 N/A LEU 144.A N LEU 140.A O no hydrogen 2.538 N/A VAL 145.A N GLY 141.A O no hydrogen 3.191 N/A THR 146.A N ASN 142.A O no hydrogen 3.197 N/A THR 146.A OG1 CYS 121.A O no hydrogen 3.434 N/A THR 146.A OG1 ASN 142.A O no hydrogen 3.360 N/A ALA 147.A N VAL 143.A O no hydrogen 2.799 N/A LYS 148.A N LEU 144.A O no hydrogen 3.024 N/A TYR 149.A N VAL 145.A O no hydrogen 3.128 N/A TYR 149.A OH LEU 60.A O no hydrogen 3.399 N/A TYR 149.A OH HIS 62.A ND1 no hydrogen 2.814 N/A GLU 150.A N THR 146.A O no hydrogen 2.915 N/A GLY 151.A N ALA 147.A O no hydrogen 3.024 N/A ASN 152.A N LYS 148.A O no hydrogen 2.891 N/A TYR 153.A N TYR 149.A O no hydrogen 3.086 N/A TYR 153.A OH GLN 84.A O no hydrogen 2.532 N/A ILE 154.A N GLU 150.A O no hydrogen 3.211 N/A VAL 155.A N GLY 151.A O no hydrogen 3.394 N/A ASN 156.A N ASN 152.A O no hydrogen 2.943 N/A HIS 158.A NE2 SER 173.A OG no hydrogen 2.801 N/A ASP 160.A N HIS 158.A ND1 no hydrogen 3.129 N/A LYS 161.A N HIS 158.A O no hydrogen 2.968 N/A SER 163.A N ASP 160.A O no hydrogen 2.868 N/A SER 163.A OG ASP 160.A O no hydrogen 2.680 N/A LYS 167.A NZ LYS 161.A O no hydrogen 3.005 N/A ILE 170.A N LYS 167.A O no hydrogen 3.254 N/A THR 172.A N ALA 168.A O no hydrogen 3.415 N/A THR 172.A OG1 ALA 168.A O no hydrogen 3.032 N/A SER 173.A N GLY 169.A O no hydrogen 3.228 N/A SER 173.A OG HIS 158.A NE2 no hydrogen 2.801 N/A SER 173.A OG GLY 169.A O no hydrogen 2.901 N/A LEU 174.A N ILE 170.A O no hydrogen 3.068 N/A ALA 175.A N CYS 171.A O no hydrogen 2.784 N/A ARG 176.A N THR 172.A O no hydrogen 3.214 N/A SER 177.A N SER 173.A O no hydrogen 3.086 N/A SER 177.A OG GLU 150.A OE2 no hydrogen 3.083 N/A SER 177.A OG SER 173.A O no hydrogen 3.333 N/A PHE 178.A N LEU 174.A O no hydrogen 2.717 N/A ALA 179.A N ALA 175.A O no hydrogen 2.975 N/A ASP 180.A N ARG 176.A O no hydrogen 3.153 N/A ILE 181.A N SER 177.A O no hydrogen 2.874 N/A GLY 182.A N PHE 178.A O no hydrogen 2.889 N/A ASP 183.A N ALA 179.A O no hydrogen 2.864 N/A ILE 184.A N ASP 180.A O no hydrogen 3.007 N/A VAL 185.A N ILE 181.A O no hydrogen 2.865 N/A ARG 186.A N GLY 182.A O no hydrogen 2.842 N/A ARG 186.A NH1 ASP 289.A O no hydrogen 3.065 N/A ARG 186.A NH2 ASP 183.A OD1 no hydrogen 3.150 N/A ARG 186.A NH2 ASP 289.A O no hydrogen 2.397 N/A GLY 187.A N ILE 184.A O no hydrogen 3.134 N/A ASP 189.A N ASP 183.A O no hydrogen 2.754 N/A MET 190.A N GLN 293.A OE1 no hydrogen 2.822 N/A LEU 192.A N LYS 99.A O no hydrogen 2.725 N/A ASP 197.A N ASN 194.A O no hydrogen 2.869 N/A LYS 201.A N ASP 197.A O no hydrogen 2.751 N/A LYS 201.A NZ ASP 196.A O no hydrogen 2.678 N/A GLY 202.A N LYS 198.A O no hydrogen 3.097 N/A LEU 203.A N VAL 199.A O no hydrogen 2.762 N/A GLN 204.A N GLN 200.A O no hydrogen 3.072 N/A VAL 205.A N LYS 201.A O no hydrogen 3.336 N/A VAL 206.A N GLY 202.A O no hydrogen 3.003 N/A PHE 207.A N LEU 203.A O no hydrogen 3.406 N/A LYS 208.A N GLN 204.A O no hydrogen 3.045 N/A LYS 208.A NZ TYR 231.A OH no hydrogen 3.401 N/A LYS 209.A N VAL 205.A O no hydrogen 3.377 N/A LYS 209.A NZ ASN 130.A O no hydrogen 2.868 N/A LYS 209.A NZ THR 133.A O no hydrogen 3.091 N/A LYS 209.A NZ ASN 134.A OD1 no hydrogen 3.528 N/A ILE 210.A N VAL 206.A O no hydrogen 2.880 N/A TYR 211.A N PHE 207.A O no hydrogen 2.812 N/A TYR 211.A OH ARG 219.A O no hydrogen 2.496 N/A LYS 212.A N LYS 208.A O no hydrogen 3.183 N/A SER 213.A N LYS 209.A O no hydrogen 3.107 N/A SER 213.A OG LYS 209.A O no hydrogen 2.770 N/A LEU 214.A N ILE 210.A O no hydrogen 3.186 N/A LEU 214.A N TYR 211.A O no hydrogen 3.153 N/A THR 215.A N GLN 29.A OE1 no hydrogen 3.357 N/A THR 215.A OG1 GLN 29.A OE1 no hydrogen 2.738 N/A THR 215.A OG1 GLU 217.A OE1 no hydrogen 3.189 N/A GLU 217.A N GLU 217.A OE1 no hydrogen 2.775 N/A ARG 219.A N THR 215.A O no hydrogen 2.812 N/A ARG 219.A NH1 LYS 212.A O no hydrogen 3.466 N/A LYS 220.A N PRO 216.A O no hydrogen 2.857 N/A HIS 221.A N GLU 217.A O no hydrogen 2.923 N/A TYR 222.A N ALA 218.A O no hydrogen 2.777 N/A TYR 222.A OH ASP 237.A OD2 no hydrogen 2.877 N/A HIS 224.A N SER 228.A O no hydrogen 2.609 N/A GLY 227.A N HIS 224.A O no hydrogen 2.628 N/A SER 228.A OG ASP 226.A OD2 no hydrogen 2.989 N/A ASN 230.A N TYR 222.A O no hydrogen 2.724 N/A LYS 233.A NZ HIS 221.A O no hydrogen 3.085 N/A LEU 234.A N ASN 230.A O no hydrogen 2.945 N/A ARG 235.A N TYR 231.A O no hydrogen 3.015 N/A ARG 235.A NH1 VAL 185.A O no hydrogen 2.626 N/A ARG 235.A NH1 GLN 200.A OE1 no hydrogen 3.060 N/A GLU 236.A N ALA 232.A O no hydrogen 3.097 N/A ASP 237.A N LYS 233.A O no hydrogen 3.286 N/A TRP 238.A N LEU 234.A O no hydrogen 2.968 N/A TRP 239.A N ARG 235.A O no hydrogen 3.383 N/A TRP 239.A NE1 ASP 289.A OD2 no hydrogen 2.765 N/A THR 240.A N GLU 236.A O no hydrogen 3.270 N/A THR 240.A OG1 GLU 236.A O no hydrogen 2.890 N/A THR 240.A OG1 ASP 237.A O no hydrogen 3.511 N/A THR 240.A OG1 TYR 290.A OH no hydrogen 3.273 N/A ILE 241.A N ASP 237.A O no hydrogen 3.125 N/A ASN 242.A N TRP 238.A O no hydrogen 3.152 N/A ASN 242.A ND2 LEU 30.A O no hydrogen 3.218 N/A ASN 242.A ND2 TRP 238.A O no hydrogen 2.404 N/A ARG 243.A N TRP 239.A O no hydrogen 2.738 N/A ARG 243.A NE ASP 289.A OD2 no hydrogen 2.632 N/A ARG 243.A NH2 THR 286.A O no hydrogen 2.702 N/A ARG 243.A NH2 ASP 289.A OD1 no hydrogen 2.892 N/A ARG 243.A NH2 ASP 289.A OD2 no hydrogen 3.374 N/A GLN 245.A NE2 GLY 32.A O no hydrogen 2.852 N/A ILE 246.A N ASN 242.A O no hydrogen 3.077 N/A TRP 247.A N ARG 243.A O no hydrogen 3.016 N/A TRP 247.A NE1 CYS 277.A O no hydrogen 2.902 N/A LYS 248.A N GLU 244.A O no hydrogen 3.204 N/A ALA 249.A N GLN 245.A O no hydrogen 3.341 N/A LEU 250.A N ILE 246.A O no hydrogen 3.269 N/A THR 251.A N TRP 247.A O no hydrogen 3.050 N/A THR 251.A OG1 TRP 247.A O no hydrogen 2.736 N/A THR 251.A OG1 LYS 248.A O no hydrogen 3.326 N/A THR 251.A OG1 HIS 279.A ND1 no hydrogen 2.812 N/A ALA 254.A N THR 251.A O no hydrogen 3.186 N/A ALA 258.A N PRO 255.A O no hydrogen 3.084 N/A TYR 260.A N SER 272.A OG no hydrogen 3.296 N/A TYR 260.A OH GLU 9.A OE2 no hydrogen 2.432 N/A ARG 262.A N HIS 270.A O no hydrogen 3.071 N/A ARG 262.A NH2 ASN 10.A OD1 no hydrogen 3.414 N/A LYS 263.A N ASN 6.A OD1 no hydrogen 2.934 N/A GLY 264.A N THR 268.A O no hydrogen 2.881 N/A GLY 267.A N ASP 266.A OD1 no hydrogen 2.783 N/A THR 268.A N ASP 266.A OD1 no hydrogen 3.081 N/A THR 268.A OG1 ASP 266.A OD1 no hydrogen 2.697 N/A HIS 270.A N ARG 262.A O no hydrogen 2.888 N/A GLY 275.A N GLU 281.A OE2 no hydrogen 3.283 N/A LYS 276.A NZ CYS 252.A O no hydrogen 2.776 N/A CYS 277.A N ALA 258.A O no hydrogen 2.836 N/A CYS 277.A SG ALA 258.A O no hydrogen 3.954 N/A GLY 278.A N GLY 275.A O no hydrogen 3.132 N/A HIS 279.A ND1 THR 251.A OG1 no hydrogen 2.812 N/A THR 286.A OG1 GLU 9.A OE2 no hydrogen 2.665 N/A THR 286.A OG1 TYR 260.A OH no hydrogen 3.341 N/A TYR 287.A N GLU 9.A OE1 no hydrogen 2.999 N/A LEU 288.A N THR 286.A OG1 no hydrogen 3.152 N/A ASP 289.A N ASP 289.A OD1 no hydrogen 2.641 N/A TYR 290.A N TYR 287.A O no hydrogen 2.740 N/A TYR 290.A OH THR 240.A OG1 no hydrogen 3.273 N/A VAL 291.A N LEU 288.A O no hydrogen 3.180 N/A GLN 293.A NE2 ASP 180.A OD1 no hydrogen 3.148 N/A GLN 293.A NE2 ASP 189.A OD1 no hydrogen 2.642 N/A ARG 296.A N PRO 292.A O no hydrogen 3.263 N/A ARG 296.A NH1 ASP 183.A OD2 no hydrogen 3.543 N/A ARG 296.A NH2 ASP 180.A OD1 no hydrogen 2.804 N/A ARG 296.A NH2 ASP 183.A OD2 no hydrogen 3.087 N/A TRP 297.A N GLN 293.A O no hydrogen 2.811 N/A TRP 297.A NE1 ASP 180.A OD2 no hydrogen 3.341 N/A PHE 298.A N PHE 294.A O no hydrogen 2.750 N/A GLU 299.A N LEU 295.A O no hydrogen 2.820 N/A GLU 300.A N ARG 296.A O no hydrogen 2.821 N/A TRP 301.A N TRP 297.A O no hydrogen 2.692 N/A TRP 301.A NE1 GLU 372.A OE1 no hydrogen 2.661 N/A SER 302.A N PHE 298.A O no hydrogen 2.935 N/A SER 302.A OG GLU 299.A O no hydrogen 2.942 N/A GLU 303.A N GLU 299.A O no hydrogen 3.194 N/A GLU 304.A N GLU 300.A O no hydrogen 2.907 N/A PHE 305.A N TRP 301.A O no hydrogen 2.858 N/A CYS 306.A N SER 302.A O no hydrogen 3.035 N/A CYS 306.A SG SER 302.A O no hydrogen 3.206 N/A ARG 307.A NE GLU 304.A OE1 no hydrogen 3.181 N/A ARG 307.A NE GLU 304.A OE2 no hydrogen 2.911 N/A ARG 307.A NH2 PHE 87.A O no hydrogen 2.816 N/A ARG 307.A NH2 GLU 304.A OE1 no hydrogen 2.745 N/A ILE 308.A N GLU 304.A O no hydrogen 2.853 N/A LYS 309.A N PHE 305.A O no hydrogen 2.799 N/A LYS 310.A N ARG 307.A O no hydrogen 3.267 N/A LYS 310.A NZ HIS 423.A O no hydrogen 2.759 N/A LYS 310.A NZ ASP 426.A O no hydrogen 3.432 N/A LYS 312.A N ILE 308.A O no hydrogen 2.750 N/A ILE 313.A N LYS 309.A O no hydrogen 2.937 N/A ASP 314.A N LYS 310.A O no hydrogen 3.078 N/A LYS 315.A N ILE 311.A O no hydrogen 2.984 N/A LYS 315.A NZ GLU 319.A OE2 no hydrogen 2.746 N/A VAL 316.A N LYS 312.A O no hydrogen 3.041 N/A LYS 317.A N ILE 313.A O no hydrogen 2.778 N/A LYS 318.A N ASP 314.A O no hydrogen 3.058 N/A GLU 319.A N VAL 316.A O no hydrogen 3.129 N/A ARG 321.A N LYS 317.A O no hydrogen 2.831 N/A ARG 321.A NH1 CYS 320.A O no hydrogen 3.276 N/A ASP 322.A N LYS 327.A O no hydrogen 3.095 N/A ASN 325.A N ASP 322.A O no hydrogen 2.871 N/A ASN 325.A ND2 ASP 322.A OD1 no hydrogen 3.487 N/A ASN 325.A ND2 ASP 322.A OD2 no hydrogen 2.766 N/A LYS 326.A N GLU 323.A O no hydrogen 3.369 N/A LYS 327.A N ASP 322.A O no hydrogen 2.801 N/A LYS 327.A NZ GLU 319.A O no hydrogen 3.273 N/A CYS 329.A N CYS 320.A O no hydrogen 2.915 N/A CYS 329.A SG GLU 319.A O no hydrogen 3.901 N/A SER 330.A N HIS 334.A O no hydrogen 3.055 N/A SER 330.A OG ASP 332.A OD1 no hydrogen 2.653 N/A GLY 333.A N SER 330.A O no hydrogen 2.843 N/A ASP 335.A N ASP 351.A OD2 no hydrogen 3.051 N/A CYS 336.A N TYR 328.A O no hydrogen 3.125 N/A CYS 336.A SG TYR 328.A O no hydrogen 3.885 N/A CYS 336.A SG HIS 334.A O no hydrogen 3.705 N/A THR 337.A OG1 ASP 335.A OD1 no hydrogen 3.000 N/A THR 337.A OG1 ASP 335.A OD2 no hydrogen 2.614 N/A GLN 338.A NE2 ASN 340.A O no hydrogen 3.400 N/A GLN 345.A N ALA 342.A O no hydrogen 3.203 N/A VAL 348.A N GLN 345.A O no hydrogen 3.101 N/A LEU 350.A N ASP 349.A OD1 no hydrogen 3.075 N/A ASP 351.A N ASP 351.A OD1 no hydrogen 2.565 N/A CYS 352.A SG GLU 319.A O no hydrogen 3.573 N/A ARG 354.A NE GLU 319.A OE1 no hydrogen 3.233 N/A ARG 354.A NH2 GLU 319.A OE1 no hydrogen 2.786 N/A CYS 355.A N CYS 352.A O no hydrogen 3.348 N/A CYS 355.A SG SER 330.A O no hydrogen 3.099 N/A ASP 357.A N PRO 353.A O no hydrogen 3.074 N/A GLN 358.A N ARG 354.A O no hydrogen 2.971 N/A CYS 359.A N CYS 355.A O no hydrogen 2.975 N/A CYS 359.A SG CYS 355.A O no hydrogen 3.153 N/A ILE 360.A N GLN 356.A O no hydrogen 2.920 N/A LYS 361.A N ASP 357.A O no hydrogen 3.340 N/A LYS 361.A NZ GLN 358.A OE1 no hydrogen 3.092 N/A TYR 362.A N GLN 358.A O no hydrogen 2.775 N/A ASN 363.A N CYS 359.A O no hydrogen 2.813 N/A GLU 364.A N ILE 360.A O no hydrogen 3.032 N/A TRP 365.A N LYS 361.A O no hydrogen 3.012 N/A TRP 365.A N TYR 362.A O no hydrogen 3.179 N/A ILE 366.A N TYR 362.A O no hydrogen 2.972 N/A VAL 367.A N ASN 363.A O no hydrogen 3.029 N/A LYS 368.A N GLU 364.A O no hydrogen 3.261 N/A LYS 369.A N TRP 365.A O no hydrogen 2.764 N/A LYS 369.A NZ GLU 372.A OE1 no hydrogen 2.840 N/A LEU 370.A N ILE 366.A O no hydrogen 2.900 N/A GLU 371.A N VAL 367.A O no hydrogen 3.105 N/A GLU 372.A N LYS 368.A O no hydrogen 3.300 N/A PHE 373.A N LYS 369.A O no hydrogen 3.055 N/A TYR 374.A N LEU 370.A O no hydrogen 2.920 N/A LYS 375.A N GLU 371.A O no hydrogen 3.034 N/A GLN 376.A N GLU 372.A O no hydrogen 3.070 N/A ASN 377.A N PHE 373.A O no hydrogen 3.010 N/A ASN 377.A ND2 PHE 373.A O no hydrogen 2.823 N/A LEU 378.A N TYR 374.A O no hydrogen 3.127 N/A LYS 379.A N LYS 375.A O no hydrogen 3.248 N/A LYS 379.A NZ GLY 102.A O no hydrogen 2.933 N/A LYS 379.A NZ ASN 103.A OD1 no hydrogen 3.472 N/A LYS 379.A NZ GLY 109.A O no hydrogen 3.544 N/A TYR 380.A N GLN 376.A O no hydrogen 2.958 N/A TYR 380.A OH TYR 408.A O no hydrogen 2.927 N/A SER 381.A N ASN 377.A O no hydrogen 3.272 N/A SER 381.A OG ASN 377.A O no hydrogen 3.476 N/A MET 382.A N LEU 378.A O no hydrogen 2.976 N/A GLU 383.A N LYS 379.A O no hydrogen 2.794 N/A ILE 384.A N TYR 380.A O no hydrogen 2.893 N/A GLN 385.A N SER 381.A O no hydrogen 2.920 N/A LYS 386.A N MET 382.A O no hydrogen 3.189 N/A LYS 388.A N GLN 385.A O no hydrogen 3.061 N/A LYS 389.A N GLN 385.A O no hydrogen 3.308 N/A THR 390.A N LYS 386.A O no hydrogen 3.022 N/A THR 390.A OG1 LYS 386.A O no hydrogen 2.725 N/A LYS 391.A NZ LYS 389.A O no hydrogen 2.957 N/A LYS 397.A N TYR 394.A O no hydrogen 3.217 N/A LYS 397.A NZ THR 390.A O no hydrogen 3.016 N/A LYS 397.A NZ ASN 392.A O no hydrogen 2.727 N/A LYS 397.A NZ ASN 393.A OD1 no hydrogen 3.301 N/A GLU 398.A N GLU 398.A OE1 no hydrogen 2.784 N/A PHE 399.A N ASP 396.A O no hydrogen 2.822 N/A TYR 400.A N ASP 396.A O no hydrogen 3.201 N/A GLU 401.A N LYS 397.A O no hydrogen 2.878 N/A ASN 402.A N GLU 398.A O no hydrogen 3.454 N/A LEU 403.A N PHE 399.A O no hydrogen 3.063 N/A ASP 404.A N TYR 400.A O no hydrogen 3.111 N/A LYS 405.A N GLU 401.A O no hydrogen 3.041 N/A LYS 406.A N ASN 402.A O no hydrogen 3.145 N/A LYS 406.A N LEU 403.A O no hydrogen 3.138 N/A SER 409.A N SER 407.A O no hydrogen 2.893 N/A SER 409.A OG ASP 404.A O no hydrogen 2.974 N/A THR 410.A OG1 ASP 412.A OD2 no hydrogen 2.705 N/A LYS 413.A N THR 410.A O no hydrogen 3.143 N/A LYS 413.A NZ ASP 412.A OD2 no hydrogen 3.307 N/A PHE 414.A N THR 410.A O no hydrogen 3.225 N/A LEU 415.A N ILE 411.A O no hydrogen 2.717 N/A LEU 417.A N PHE 414.A O no hydrogen 2.861 N/A LEU 418.A N PHE 414.A O no hydrogen 3.211 N/A ASN 419.A N LEU 415.A O no hydrogen 3.146 N/A ASN 419.A ND2 ASP 435.A OD1 no hydrogen 3.070 N/A ASN 420.A N LEU 417.A O no hydrogen 2.876 N/A ASN 420.A ND2 LYS 2.A O no hydrogen 3.534 N/A GLY 421.A N LEU 418.A O no hydrogen 3.361 N/A HIS 423.A N GLU 303.A OE1 no hydrogen 3.051 N/A CYS 424.A N GLU 303.A OE2 no hydrogen 3.418 N/A CYS 424.A SG SER 302.A O no hydrogen 3.560 N/A CYS 424.A SG GLU 303.A OE2 no hydrogen 3.163 N/A CYS 424.A SG LEU 418.A O no hydrogen 3.646 N/A HIS 425.A N GLY 421.A O no hydrogen 2.812 N/A ASN 427.A N HIS 425.A O no hydrogen 2.871 N/A LYS 431.A NZ GLU 447.A OE1 no hydrogen 3.309 N/A LYS 431.A NZ GLU 447.A OE2 no hydrogen 2.856 N/A LYS 433.A NZ CYS 424.A O no hydrogen 2.804 N/A LYS 433.A NZ ASN 427.A OD1 no hydrogen 3.179 N/A PHE 436.A N ASN 419.A OD1 no hydrogen 2.684 N/A ASN 437.A N ASP 435.A OD1 no hydrogen 3.267 N/A LYS 438.A N ASP 435.A O no hydrogen 2.915 N/A THR 442.A N LYS 438.A O no hydrogen 3.207 N/A THR 442.A OG1 ASP 435.A O no hydrogen 3.242 N/A THR 442.A OG1 LYS 438.A O no hydrogen 2.736 N/A PHE 443.A N PRO 439.A O no hydrogen 2.866 N/A SER 444.A N LYS 441.A O no hydrogen 3.350 N/A SER 444.A OG LYS 441.A O no hydrogen 2.665 N/A TYR 448.A N SER 446.A OG no hydrogen 3.388 N/A CYS 449.A N SER 446.A O no hydrogen 3.077 N/A THR 451.A N ASP 549.A OD1 no hydrogen 2.997 N/A THR 451.A OG1 ASP 332.A OD2 no hydrogen 3.285 N/A CYS 452.A SG HIS 334.A O no hydrogen 3.295 N/A GLY 456.A N PRO 453.A O no hydrogen 2.651 N/A VAL 457.A N CYS 336.A O no hydrogen 2.888 N/A THR 458.A N ILE 466.A O no hydrogen 2.915 N/A THR 460.A N ILE 464.A O no hydrogen 2.815 N/A THR 460.A OG1 ILE 464.A O no hydrogen 3.205 N/A GLY 463.A N THR 460.A O no hydrogen 3.427 N/A CYS 465.A N GLU 323.A OE1 no hydrogen 2.736 N/A ILE 466.A N THR 458.A O no hydrogen 3.162 N/A ASN 468.A N GLY 456.A O no hydrogen 3.252 N/A ASN 468.A ND2 THR 458.A OG1 no hydrogen 2.963 N/A GLY 475.A N LYS 472.A O no hydrogen 3.216 N/A LYS 481.A N ASN 477.A O no hydrogen 3.264 N/A ASN 483.A N ASN 480.A O no hydrogen 3.198 N/A ASN 483.A ND2 PHE 619.A O no hydrogen 2.797 N/A LYS 485.A N LYS 617.A O no hydrogen 2.967 N/A LYS 485.A NZ ILE 482.A O no hydrogen 2.888 N/A SER 488.A N ASP 486.A OD1 no hydrogen 2.903 N/A SER 488.A OG ASP 486.A OD1 no hydrogen 2.588 N/A THR 490.A N CYS 528.A O no hydrogen 2.618 N/A THR 491.A OG1 TRP 526.A O no hydrogen 2.664 N/A THR 491.A OG1 THR 527.A OG1 no hydrogen 3.243 N/A PHE 492.A N TRP 526.A O no hydrogen 3.002 N/A VAL 494.A N GLN 524.A O no hydrogen 2.713 N/A ASP 495.A N GLU 607.A OE1 no hydrogen 3.497 N/A ASP 495.A N GLU 607.A OE2 no hydrogen 2.711 N/A MET 496.A N ARG 522.A O no hydrogen 2.943 N/A ILE 497.A N ASP 564.A OD1 no hydrogen 2.958 N/A TYR 498.A N GLY 520.A O no hydrogen 3.373 N/A TYR 498.A OH ILE 546.A O no hydrogen 3.293 N/A LYS 505.A N TYR 503.A O no hydrogen 2.583 N/A ASN 506.A ND2 GLU 507.A OE2.B no hydrogen 2.805 N/A GLU 507.A N MET 504.A O no hydrogen 2.760 N/A LYS 509.A N LYS 505.A O no hydrogen 3.092 N/A LYS 509.A NZ LYS 509.A O no hydrogen 2.632 N/A LYS 509.A NZ GLU 513.A OE1.A no hydrogen 2.996 N/A LYS 509.A NZ GLU 513.A OE2.B no hydrogen 3.449 N/A PHE 511.A N LEU 508.A O no hydrogen 2.698 N/A VAL 512.A N LEU 508.A O no hydrogen 2.953 N/A GLU 513.A N MET 521.A O no hydrogen 3.205 N/A SER 514.A N GLU 513.A OE1.A no hydrogen 3.309 N/A THR 515.A N PHE 518.A O no hydrogen 2.908 N/A CYS 516.A N THR 515.A OG1 no hydrogen 2.573 N/A MET 521.A N GLU 513.A O no hydrogen 2.700 N/A ARG 522.A N MET 496.A O no hydrogen 2.617 N/A ARG 522.A NE ASP 547.A OD1 no hydrogen 3.182 N/A ARG 522.A NH1 PHE 511.A O no hydrogen 3.129 N/A ARG 522.A NH2 ASP 547.A OD2 no hydrogen 2.650 N/A ASN 523.A ND2 ASP 493.A OD2 no hydrogen 2.780 N/A ASN 523.A ND2 ASP 495.A OD1 no hydrogen 2.835 N/A GLN 524.A N VAL 494.A O no hydrogen 2.785 N/A TRP 526.A N PHE 492.A O no hydrogen 2.835 N/A THR 527.A N LYS 538.A O no hydrogen 3.000 N/A THR 527.A OG1 THR 491.A OG1 no hydrogen 3.243 N/A THR 527.A OG1 ASN 540.A OD1 no hydrogen 2.786 N/A CYS 528.A N THR 490.A O no hydrogen 2.831 N/A GLN 529.A N VAL 536.A O no hydrogen 3.084 N/A GLN 529.A NE2 LYS 487.A O no hydrogen 2.960 N/A LEU 531.A N LEU 534.A O no hydrogen 3.173 N/A LYS 532.A NZ TYR 455.A OH no hydrogen 2.981 N/A ASN 533.A ND2 ASN 477.A O no hydrogen 3.036 N/A LEU 534.A N LEU 531.A O no hydrogen 3.252 N/A VAL 536.A N GLN 529.A O no hydrogen 3.223 N/A CYS 537.A N ILE 552.A O no hydrogen 2.712 N/A LYS 538.A N THR 527.A O no hydrogen 3.070 N/A LYS 538.A NZ ASN 540.A OD1 no hydrogen 2.771 N/A LEU 539.A N LYS 550.A O no hydrogen 2.921 N/A ASN 540.A N GLU 525.A O no hydrogen 2.726 N/A ASN 540.A ND2 THR 527.A OG1 no hydrogen 2.872 N/A ASN 541.A ND2 GLU 525.A O no hydrogen 3.585 N/A ASN 543.A N ASP 547.A OD2 no hydrogen 2.940 N/A ILE 546.A N ASN 543.A O no hydrogen 3.155 N/A ASP 547.A N ASN 543.A O no hydrogen 2.705 N/A ILE 552.A N CYS 537.A O no hydrogen 3.000 N/A THR 553.A OG1 HIS 343.A O no hydrogen 2.650 N/A PHE 554.A N ASP 535.A O no hydrogen 2.754 N/A LYS 555.A NZ VAL 348.A O no hydrogen 2.777 N/A VAL 556.A N THR 553.A OG1 no hydrogen 3.017 N/A LEU 557.A N THR 553.A O no hydrogen 3.175 N/A LEU 558.A N PHE 554.A O no hydrogen 2.845 N/A GLU 559.A N LYS 555.A O no hydrogen 3.342 N/A ARG 560.A N VAL 556.A O no hydrogen 3.088 N/A ARG 560.A NH2 ASP 549.A OD2 no hydrogen 2.797 N/A TRP 561.A N LEU 557.A O no hydrogen 2.942 N/A TRP 561.A NE1 GLU 607.A OE1 no hydrogen 2.975 N/A LEU 562.A N LEU 558.A O no hydrogen 2.869 N/A LYS 563.A N GLU 559.A O no hydrogen 2.961 N/A ASP 564.A N ARG 560.A O no hydrogen 3.031 N/A PHE 565.A N TRP 561.A O no hydrogen 2.708 N/A LEU 566.A N LEU 562.A O no hydrogen 3.345 N/A GLU 567.A N LYS 563.A O no hydrogen 3.232 N/A GLY 568.A N ASP 564.A O no hydrogen 2.988 N/A TYR 569.A N PHE 565.A O no hydrogen 2.680 N/A LYS 570.A N LEU 566.A O no hydrogen 2.873 N/A LYS 571.A N GLU 567.A O no hydrogen 3.045 N/A LYS 571.A NZ LEU 517.A O no hydrogen 2.807 N/A SER 572.A N GLY 568.A O no hydrogen 3.019 N/A SER 572.A OG GLY 568.A O no hydrogen 2.733 N/A LYS 573.A N TYR 569.A O no hydrogen 2.962 N/A ARG 574.A N LYS 570.A O no hydrogen 2.946 N/A LYS 575.A N LYS 571.A O no hydrogen 3.043 N/A ILE 576.A N SER 572.A O no hydrogen 2.941 N/A ASN 577.A N LYS 573.A O no hydrogen 3.133 N/A ASN 577.A N ARG 574.A O no hydrogen 3.190 N/A CYS 579.A N ILE 576.A O no hydrogen 3.097 N/A CYS 579.A SG CYS 590.A O no hydrogen 4.015 N/A THR 580.A N ILE 576.A O no hydrogen 3.133 N/A THR 580.A OG1 ASN 577.A O no hydrogen 2.796 N/A LYS 581.A N ASN 577.A O no hydrogen 3.212 N/A SER 585.A N LYS 583.A O no hydrogen 2.693 N/A SER 585.A OG LYS 583.A O no hydrogen 2.848 N/A ILE 587.A N HIS 696.A ND1 no hydrogen 2.932 N/A ILE 591.A N LYS 588.A O no hydrogen 3.382 N/A LYS 593.A N CYS 590.A O no hydrogen 3.313 N/A CYS 594.A N CYS 590.A O no hydrogen 3.292 N/A CYS 594.A SG CYS 590.A O no hydrogen 3.685 N/A THR 595.A N ILE 591.A O no hydrogen 3.314 N/A THR 595.A OG1 ILE 591.A O no hydrogen 2.617 N/A VAL 597.A N LYS 593.A O no hydrogen 3.099 N/A GLU 598.A N CYS 594.A O no hydrogen 2.980 N/A GLU 599.A N THR 595.A O no hydrogen 2.974 N/A TRP 600.A N CYS 596.A O no hydrogen 3.305 N/A LEU 601.A N VAL 597.A O no hydrogen 2.689 N/A ASN 602.A N GLU 598.A O no hydrogen 3.014 N/A ASN 602.A ND2 GLU 598.A OE2 no hydrogen 3.467 N/A LYS 603.A N GLU 599.A O no hydrogen 3.353 N/A LYS 603.A NZ ASP 493.A O no hydrogen 3.532 N/A LYS 603.A NZ ASP 493.A OD2 no hydrogen 2.452 N/A LYS 603.A NZ GLU 607.A OE2 no hydrogen 2.958 N/A LYS 604.A N TRP 600.A O no hydrogen 3.116 N/A LYS 604.A NZ ASP 495.A O no hydrogen 3.336 N/A LYS 604.A NZ GLU 607.A OE1 no hydrogen 2.781 N/A GLU 605.A N LEU 601.A O no hydrogen 3.075 N/A LYS 606.A N ASN 602.A O no hydrogen 3.007 N/A GLU 607.A N LYS 603.A O no hydrogen 2.801 N/A TRP 608.A N LYS 604.A O no hydrogen 2.782 N/A GLY 609.A N GLU 605.A O no hydrogen 3.324 N/A ILE 611.A N GLU 607.A O no hydrogen 3.218 N/A LYS 612.A N TRP 608.A O no hydrogen 2.854 N/A LYS 613.A N GLY 609.A O no hydrogen 2.951 N/A HIS 614.A N GLN 610.A O no hydrogen 3.034 N/A PHE 615.A N ILE 611.A O no hydrogen 2.915 N/A ASN 616.A N LYS 612.A O no hydrogen 2.869 N/A LYS 617.A N HIS 614.A O no hydrogen 3.176 N/A LYS 617.A NZ SER 488.A O no hydrogen 2.756 N/A LYS 617.A NZ SER 488.A OG no hydrogen 2.858 N/A GLN 618.A N PHE 615.A O no hydrogen 3.327 N/A PHE 619.A N ASN 483.A O no hydrogen 2.733 N/A TYR 624.A N GLY 621.A O no hydrogen 2.756 N/A PHE 628.A N ASP 625.A OD1 no hydrogen 3.343 N/A LYS 629.A N ASP 625.A O no hydrogen 3.064 N/A LYS 629.A NZ ILE 346.A O no hydrogen 3.508 N/A LYS 629.A NZ GLU 559.A OE2 no hydrogen 3.228 N/A VAL 630.A N ILE 626.A O no hydrogen 2.946 N/A LYS 631.A N ALA 627.A O no hydrogen 3.235 N/A SER 632.A N PHE 628.A O no hydrogen 2.883 N/A SER 632.A OG PHE 628.A O no hydrogen 3.179 N/A TYR 633.A N LYS 629.A O no hydrogen 3.017 N/A PHE 634.A N VAL 630.A O no hydrogen 2.968 N/A GLU 635.A N LYS 631.A O no hydrogen 2.704 N/A ASP 636.A N SER 632.A O no hydrogen 2.975 N/A ASN 637.A ND2 TYR 633.A O no hydrogen 3.268 N/A GLU 638.A N GLU 635.A O no hydrogen 3.019 N/A ASP 640.A N ASP 640.A OD1 no hydrogen 2.646 N/A VAL 641.A N ASN 637.A O no hydrogen 3.156 N/A ARG 642.A N GLU 638.A O no hydrogen 3.131 N/A ARG 642.A NE GLU 638.A OE2 no hydrogen 3.275 N/A ARG 642.A NH2 GLU 638.A OE2 no hydrogen 2.756 N/A LYS 643.A N ALA 639.A O no hydrogen 3.306 N/A SER 644.A N ASP 640.A O no hydrogen 3.189 N/A SER 644.A OG LEU 566.A O no hydrogen 3.507 N/A SER 644.A OG ASP 640.A O no hydrogen 3.210 N/A ILE 645.A N VAL 641.A O no hydrogen 2.965 N/A LEU 651.A N ASN 647.A O no hydrogen 3.432 N/A LYS 652.A N PHE 648.A O no hydrogen 2.600 N/A ASN 653.A N HIS 649.A O no hydrogen 3.443 N/A LYS 654.A NZ GLU 656.A OE1 no hydrogen 3.194 N/A GLU 658.A N LYS 673.A O no hydrogen 2.729 N/A CYS 660.A SG SER 668.A OG no hydrogen 3.764 N/A CYS 660.A SG ASN 671.A O no hydrogen 3.412 N/A ASP 664.A N ASP 664.A OD1 no hydrogen 2.493 N/A CYS 666.A N ASP 663.A O no hydrogen 3.017 N/A CYS 666.A SG SER 668.A OG no hydrogen 3.187 N/A SER 668.A OG ASN 671.A O no hydrogen 2.927 N/A LYS 673.A NZ ASP 625.A OD2 no hydrogen 3.420 N/A LYS 674.A NZ GLU 655.A OE2 no hydrogen 2.974 N/A LYS 675.A N GLU 656.A O no hydrogen 2.674 N/A ILE 680.A N ASP 676.A O no hydrogen 2.994 N/A LEU 681.A N ILE 677.A O no hydrogen 2.792 N/A LEU 682.A N VAL 678.A O no hydrogen 2.948 N/A LYS 683.A N THR 679.A O no hydrogen 2.938 N/A GLU 684.A N ILE 680.A O no hydrogen 2.795 N/A LEU 685.A N LEU 681.A O no hydrogen 3.063 N/A LYS 686.A N LEU 682.A O no hydrogen 2.852 N/A LYS 686.A NZ GLU 605.A OE1 no hydrogen 2.735 N/A LYS 686.A NZ GLU 605.A OE2 no hydrogen 3.297 N/A LYS 688.A NZ GLU 684.A O no hydrogen 2.659 N/A ILE 689.A N LEU 685.A O no hydrogen 3.118 N/A VAL 690.A N LYS 686.A O no hydrogen 2.933 N/A SER 691.A N ASP 687.A O no hydrogen 3.006 N/A SER 691.A OG LYS 688.A O no hydrogen 2.574 N/A CYS 692.A N LYS 688.A O no hydrogen 3.165 N/A CYS 692.A SG CYS 590.A O no hydrogen 3.722 N/A LYS 693.A N ILE 689.A O no hydrogen 2.723 N/A ASN 694.A N VAL 690.A O no hydrogen 3.404 N/A ASN 694.A N SER 691.A O no hydrogen 3.016 N/A GLN 695.A N CYS 692.A O no hydrogen 2.936 N/A