Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qhg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 51.A OE2 no hydrogen 3.114 N/A LEU 4.A N ASN 2.A O no hydrogen 2.743 N/A SER 5.A N ASN 2.A O no hydrogen 2.887 N/A SER 5.A OG ASN 2.A OD1 no hydrogen 2.725 N/A GLU 6.A N ASN 2.A O no hydrogen 3.000 N/A LEU 9.A N SER 5.A O no hydrogen 3.338 N/A ALA 10.A N GLU 6.A O no hydrogen 2.990 N/A LEU 12.A N LEU 9.A O no hydrogen 3.383 N/A ASN 13.A N GLN 16.A OE1 no hydrogen 2.891 N/A ASN 13.A ND2 TYR 282.A OH ASN 13.A HD21 3.491 2.573 GLU 15.A N ASN 13.A OD1 no hydrogen 3.064 N/A GLN 16.A N ASN 13.A OD1 no hydrogen 2.918 N/A GLN 16.A NE2 SER 35.A O GLN 16.A HE21 3.215 2.425 GLN 17.A N ASN 13.A O no hydrogen 3.029 N/A GLN 17.A NE2 LEU 9.A O GLN 17.A HE21 2.776 1.927 GLU 18.A N GLU 15.A O no hydrogen 3.359 N/A ALA 19.A N GLU 15.A O no hydrogen 3.282 N/A ALA 19.A N GLN 16.A O no hydrogen 3.030 N/A VAL 20.A N GLN 16.A O no hydrogen 3.133 N/A THR 22.A OG1 GLU 18.A O no hydrogen 2.622 N/A THR 23.A OG1 GLU 24.A OE2 no hydrogen 3.226 N/A GLY 25.A N ASN 241.A OD1 no hydrogen 3.164 N/A LEU 27.A N ILE 242.A O no hydrogen 2.857 N/A LEU 28.A N LYS 274.A O no hydrogen 2.973 N/A ILE 29.A N ALA 244.A O no hydrogen 2.823 N/A MET 30.A N ILE 276.A O no hydrogen 2.886 N/A ALA 31.A N GLY 246.A O no hydrogen 2.970 N/A GLY 32.A N LEU 278.A O no hydrogen 3.262 N/A SER 35.A OG GLY 32.A O no hydrogen 2.631 N/A ARG 39.A NH1 HIS 11.A O no hydrogen 2.744 N/A VAL 40.A N GLY 36.A O no hydrogen 3.199 N/A LEU 41.A N LYS 37.A O no hydrogen 3.183 N/A THR 42.A N THR 38.A O no hydrogen 2.722 N/A THR 42.A OG1 THR 38.A O no hydrogen 3.092 N/A HIS 43.A ND1 LEU 8.A O no hydrogen 2.880 N/A ARG 44.A N VAL 40.A O no hydrogen 2.805 N/A ARG 44.A NE ALA 19.A O no hydrogen 3.472 N/A ARG 44.A NE THR 22.A O no hydrogen 3.322 N/A ARG 44.A NH2 THR 23.A O no hydrogen 3.182 N/A ILE 45.A N LEU 41.A O no hydrogen 3.137 N/A ALA 46.A N THR 42.A O no hydrogen 2.953 N/A TYR 47.A N HIS 43.A O no hydrogen 2.935 N/A LEU 48.A N ARG 44.A O no hydrogen 2.936 N/A MET 49.A N ILE 45.A O no hydrogen 3.298 N/A ALA 50.A N ALA 46.A O no hydrogen 2.886 N/A GLU 51.A N TYR 47.A O no hydrogen 2.868 N/A LYS 52.A N TYR 47.A O no hydrogen 3.025 N/A LYS 52.A NZ GLU 24.A OE2 no hydrogen 3.221 N/A HIS 53.A N MET 49.A O no hydrogen 3.001 N/A VAL 54.A N LEU 48.A O no hydrogen 2.885 N/A ASN 57.A ND2 LYS 212.A O ASN 57.A HD21 2.874 1.941 LEU 59.A N TYR 215.A O no hydrogen 2.923 N/A ALA 60.A N TRP 87.A O no hydrogen 2.827 N/A ILE 61.A N HIS 217.A O no hydrogen 2.774 N/A THR 62.A N SER 89.A O no hydrogen 3.043 N/A ALA 68.A N ASN 65.A O no hydrogen 3.185 N/A ARG 69.A N ASN 65.A O no hydrogen 2.979 N/A GLU 70.A N LYS 66.A O no hydrogen 2.844 N/A MET 71.A N ALA 68.A O no hydrogen 3.139 N/A ARG 72.A N ALA 68.A O no hydrogen 3.094 N/A ARG 72.A N ARG 69.A O no hydrogen 3.177 N/A ARG 72.A NH1 VAL 86.A O no hydrogen 2.882 N/A ARG 72.A NH2 VAL 86.A O no hydrogen 3.096 N/A GLU 73.A N ARG 69.A O no hydrogen 3.214 N/A ARG 74.A N GLU 70.A O no hydrogen 3.412 N/A VAL 75.A N MET 71.A O no hydrogen 3.262 N/A GLN 76.A N ARG 72.A O no hydrogen 2.773 N/A SER 77.A N ARG 74.A O no hydrogen 3.327 N/A SER 77.A OG GLU 73.A O no hydrogen 2.886 N/A LEU 78.A N ARG 74.A O no hydrogen 3.378 N/A LEU 79.A N VAL 75.A O no hydrogen 2.823 N/A GLY 80.A N GLN 76.A O no hydrogen 2.727 N/A ALA 83.A N GLY 80.A O no hydrogen 3.268 N/A GLU 84.A N GLY 81.A O no hydrogen 3.430 N/A VAL 86.A N ALA 83.A O no hydrogen 3.176 N/A TRP 87.A N ILE 58.A O no hydrogen 3.369 N/A SER 89.A N ALA 60.A O no hydrogen 2.974 N/A THR 90.A OG1 SER 93.A OG no hydrogen 2.832 N/A SER 93.A N THR 90.A OG1 no hydrogen 3.138 N/A SER 93.A OG THR 90.A OG1 no hydrogen 2.832 N/A MET 94.A N THR 90.A O no hydrogen 3.082 N/A CYS 95.A N PHE 91.A O no hydrogen 3.251 N/A CYS 95.A SG PHE 91.A O no hydrogen 3.199 N/A CYS 95.A SG LEU 191.A O no hydrogen 3.992 N/A VAL 96.A N HIS 92.A O no hydrogen 2.968 N/A ARG 97.A N SER 93.A O no hydrogen 2.996 N/A ILE 98.A N MET 94.A O no hydrogen 2.821 N/A LEU 99.A N CYS 95.A O no hydrogen 2.810 N/A ARG 100.A N VAL 96.A O no hydrogen 2.865 N/A ARG 100.A NH1 ARG 110.A O no hydrogen 2.663 N/A ARG 100.A NH1 PHE 112.A O no hydrogen 2.912 N/A ARG 100.A NH2 PHE 112.A O no hydrogen 2.948 N/A ARG 101.A N ILE 98.A O no hydrogen 3.308 N/A ARG 101.A NH1 ASP 102.A OD2 no hydrogen 2.850 N/A ASP 102.A N ILE 98.A O no hydrogen 3.291 N/A ILE 103.A N LEU 99.A O no hydrogen 2.830 N/A ARG 105.A N ASP 102.A O no hydrogen 3.157 N/A ARG 105.A NE ASP 102.A OD1 no hydrogen 3.154 N/A ARG 105.A NH2 ASP 102.A OD1 no hydrogen 2.684 N/A ILE 106.A N ILE 103.A O no hydrogen 3.072 N/A GLY 107.A N ASP 104.A O no hydrogen 3.026 N/A ILE 108.A N ILE 103.A O no hydrogen 3.451 N/A PHE 112.A N ASN 109.A O no hydrogen 3.127 N/A SER 113.A N HIS 184.A O no hydrogen 3.228 N/A LEU 115.A N LEU 186.A O no hydrogen 2.784 N/A ASP 116.A N ASP 119.A OD2 no hydrogen 2.879 N/A THR 118.A OG1 ASP 116.A OD2 no hydrogen 3.152 N/A GLN 120.A N ASP 116.A O no hydrogen 2.863 N/A SER 122.A N THR 118.A O no hydrogen 2.971 N/A SER 122.A OG THR 118.A O no hydrogen 3.161 N/A VAL 123.A N ASP 119.A O no hydrogen 2.925 N/A MET 124.A N GLN 120.A O no hydrogen 3.120 N/A LYS 125.A N LEU 121.A O no hydrogen 2.919 N/A THR 126.A N SER 122.A O no hydrogen 2.937 N/A THR 126.A OG1 SER 122.A O no hydrogen 3.134 N/A ILE 127.A N VAL 123.A O no hydrogen 3.053 N/A LEU 128.A N MET 124.A O no hydrogen 3.151 N/A LYS 129.A N LYS 125.A O no hydrogen 2.802 N/A GLU 130.A N THR 126.A O no hydrogen 2.927 N/A LYS 131.A N LEU 128.A O no hydrogen 2.994 N/A LYS 137.A N PRO 135.A O no hydrogen 2.982 N/A PHE 138.A N ASP 134.A O no hydrogen 2.880 N/A THR 142.A N GLU 139.A OE1 no hydrogen 3.407 N/A THR 142.A OG1 GLU 484.A O no hydrogen 2.839 N/A ILE 143.A N GLU 139.A O no hydrogen 3.087 N/A LEU 144.A N PRO 140.A O no hydrogen 2.959 N/A GLY 145.A N ARG 141.A O no hydrogen 3.161 N/A THR 146.A N THR 142.A O no hydrogen 3.089 N/A THR 146.A OG1 THR 142.A O no hydrogen 3.127 N/A ILE 147.A N ILE 143.A O no hydrogen 2.925 N/A SER 148.A N LEU 144.A O no hydrogen 2.869 N/A SER 148.A OG ASP 189.A OD1 no hydrogen 3.193 N/A SER 148.A OG ASP 189.A OD2 no hydrogen 3.079 N/A ALA 149.A N GLY 145.A O no hydrogen 3.188 N/A ALA 150.A N THR 146.A O no hydrogen 2.987 N/A LYS 151.A N ILE 147.A O no hydrogen 2.889 N/A LYS 151.A NZ GLN 177.A OE1 no hydrogen 3.109 N/A LYS 151.A NZ ASP 187.A OD1 no hydrogen 2.864 N/A LYS 151.A NZ ASP 187.A OD2 no hydrogen 2.661 N/A LYS 151.A NZ ASP 190.A OD1 no hydrogen 2.703 N/A ASN 152.A N SER 148.A O no hydrogen 2.830 N/A GLU 153.A N ALA 149.A O no hydrogen 3.298 N/A GLU 153.A N ALA 150.A O no hydrogen 3.056 N/A LEU 154.A N LYS 151.A O no hydrogen 2.894 N/A LEU 155.A N ALA 150.A O no hydrogen 2.829 N/A GLN 159.A N PRO 156.A O no hydrogen 2.820 N/A PHE 160.A N PRO 156.A O no hydrogen 3.088 N/A ALA 161.A N PRO 157.A O no hydrogen 2.868 N/A LYS 162.A N GLN 159.A O no hydrogen 3.238 N/A ARG 163.A NH1 GLN 159.A O no hydrogen 2.611 N/A LYS 167.A N TYR 164.A O no hydrogen 2.821 N/A LYS 167.A NZ ASP 171.A OD2 no hydrogen 2.762 N/A VAL 169.A N TYR 165.A O no hydrogen 2.952 N/A SER 170.A N GLU 166.A O no hydrogen 2.790 N/A SER 170.A OG GLU 166.A O no hydrogen 2.910 N/A SER 170.A OG LYS 167.A O no hydrogen 2.854 N/A ASP 171.A N LYS 167.A O no hydrogen 2.703 N/A VAL 172.A N VAL 168.A O no hydrogen 2.783 N/A TYR 173.A N VAL 169.A O no hydrogen 2.731 N/A TYR 173.A OH LEU 155.A O no hydrogen 2.767 N/A GLN 174.A N SER 170.A O no hydrogen 3.062 N/A GLU 175.A N ASP 171.A O no hydrogen 3.284 N/A TYR 176.A N VAL 172.A O no hydrogen 2.875 N/A TYR 176.A OH ASP 187.A OD2 no hydrogen 2.861 N/A GLN 177.A N TYR 173.A O no hydrogen 3.049 N/A GLN 177.A NE2 ASP 190.A OD1 GLN 177.A HE22 3.437 2.542 GLN 178.A N GLN 174.A O no hydrogen 3.235 N/A GLN 178.A NE2 GLN 174.A O GLN 178.A HE21 3.405 2.523 ARG 179.A N GLU 175.A O no hydrogen 2.781 N/A ARG 179.A NH2 GLU 130.A OE1 no hydrogen 2.722 N/A LEU 180.A N TYR 176.A O no hydrogen 3.019 N/A LEU 181.A N GLN 177.A O no hydrogen 2.853 N/A ARG 182.A N GLN 178.A O no hydrogen 2.979 N/A ASN 183.A N ARG 179.A O no hydrogen 3.401 N/A HIS 184.A N LEU 181.A O no hydrogen 3.077 N/A SER 185.A N LEU 180.A O no hydrogen 3.027 N/A SER 185.A OG ASN 183.A O no hydrogen 3.247 N/A LEU 186.A N SER 113.A O no hydrogen 2.862 N/A ASP 187.A N ASP 190.A OD2 no hydrogen 2.996 N/A ASP 190.A N ASP 187.A O no hydrogen 3.252 N/A ASP 190.A N ASP 187.A OD1 no hydrogen 2.973 N/A LEU 191.A N PHE 188.A O no hydrogen 3.193 N/A THR 194.A N ASP 190.A O no hydrogen 2.774 N/A THR 194.A OG1 ASP 190.A O no hydrogen 2.712 N/A THR 195.A N LEU 191.A O no hydrogen 3.377 N/A ILE 196.A N ILE 192.A O no hydrogen 3.094 N/A GLN 197.A N MET 193.A O no hydrogen 2.928 N/A LEU 198.A N THR 194.A O no hydrogen 2.856 N/A PHE 199.A N THR 195.A O no hydrogen 3.040 N/A ASP 200.A N ILE 196.A O no hydrogen 2.997 N/A ARG 201.A N GLN 197.A O no hydrogen 2.906 N/A ARG 201.A N LEU 198.A O no hydrogen 3.070 N/A VAL 202.A N LEU 198.A O no hydrogen 2.870 N/A VAL 205.A N VAL 202.A O no hydrogen 3.040 N/A HIS 207.A N PRO 203.A O no hydrogen 3.035 N/A TYR 208.A N ASP 204.A O no hydrogen 3.177 N/A TYR 208.A N VAL 205.A O no hydrogen 3.237 N/A TYR 209.A N VAL 205.A O no hydrogen 3.374 N/A GLN 210.A N LEU 206.A O no hydrogen 2.889 N/A TYR 211.A N HIS 207.A O no hydrogen 3.234 N/A TYR 211.A N TYR 208.A O no hydrogen 3.186 N/A LYS 212.A N TYR 208.A O no hydrogen 2.973 N/A PHE 213.A N TYR 209.A O no hydrogen 2.959 N/A GLN 214.A N ASN 57.A O no hydrogen 3.129 N/A TYR 215.A N ASN 57.A O no hydrogen 3.454 N/A TYR 215.A OH GLU 24.A OE1 no hydrogen 2.925 N/A TYR 215.A OH GLU 24.A OE2 no hydrogen 3.046 N/A ILE 216.A N ASN 241.A O no hydrogen 2.771 N/A HIS 217.A N LEU 59.A O no hydrogen 2.818 N/A HIS 217.A ND1 LEU 59.A O no hydrogen 2.924 N/A ILE 218.A N CYS 243.A O no hydrogen 2.821 N/A ASP 219.A N ILE 61.A O no hydrogen 2.943 N/A GLU 220.A N ASP 219.A OD1 no hydrogen 2.868 N/A TYR 221.A N VAL 245.A O no hydrogen 2.806 N/A ASP 223.A N GLU 220.A O no hydrogen 2.957 N/A ALA 227.A N ASN 152.A O no hydrogen 3.263 N/A TYR 229.A N ASN 225.A O no hydrogen 2.906 N/A TYR 229.A OH ASP 269.A OD1 no hydrogen 3.347 N/A TYR 229.A OH ASP 269.A OD2 no hydrogen 3.405 N/A THR 230.A N ARG 226.A O no hydrogen 2.761 N/A THR 230.A OG1 ARG 226.A O no hydrogen 2.713 N/A LEU 231.A N ALA 227.A O no hydrogen 2.834 N/A VAL 232.A N GLN 228.A O no hydrogen 3.296 N/A LYS 233.A N TYR 229.A O no hydrogen 3.027 N/A LYS 233.A N THR 230.A O no hydrogen 3.267 N/A LYS 233.A NZ ASP 269.A OD1 no hydrogen 3.029 N/A LYS 234.A N THR 230.A O no hydrogen 3.148 N/A LYS 234.A NZ ASP 200.A OD1 no hydrogen 2.608 N/A LYS 234.A NZ ASP 200.A OD2 no hydrogen 3.552 N/A LEU 235.A N LEU 231.A O no hydrogen 3.117 N/A ALA 236.A N VAL 232.A O no hydrogen 3.094 N/A GLU 237.A N LYS 233.A O no hydrogen 2.979 N/A ARG 238.A NH1 GLN 210.A O no hydrogen 3.003 N/A ASN 241.A ND2 GLN 214.A O ASN 241.A HD21 3.022 2.175 CYS 243.A N ILE 216.A O no hydrogen 2.887 N/A ALA 244.A N LEU 27.A O no hydrogen 2.941 N/A VAL 245.A N ILE 218.A O no hydrogen 2.921 N/A GLY 246.A N ILE 29.A O no hydrogen 3.086 N/A ASP 249.A N ASP 247.A OD1 no hydrogen 3.091 N/A GLN 250.A N ASP 247.A O no hydrogen 3.268 N/A GLN 250.A NE2 ASP 247.A OD2 GLN 250.A HE21 2.887 1.927 SER 251.A N ALA 248.A O no hydrogen 3.384 N/A ARG 254.A N GLU 570.A OE2 no hydrogen 3.026 N/A ARG 254.A NE GLU 567.A OE2 no hydrogen 3.397 N/A ARG 254.A NH2 GLU 567.A OE1 no hydrogen 2.629 N/A ARG 254.A NH2 GLU 567.A OE2 no hydrogen 3.109 N/A TRP 255.A NE1 ILE 252.A O no hydrogen 3.106 N/A ARG 256.A N TYR 253.A O no hydrogen 2.852 N/A GLY 257.A N ARG 254.A O no hydrogen 3.030 N/A ALA 258.A N TYR 253.A O no hydrogen 3.335 N/A ASP 259.A N THR 224.A O no hydrogen 3.008 N/A GLN 261.A N ASP 259.A OD1 no hydrogen 3.163 N/A GLN 261.A NE2 ASN 301.A OD1 GLN 261.A HE22 3.646 2.666 LEU 264.A N ILE 260.A O no hydrogen 3.460 N/A SER 265.A N GLN 261.A O no hydrogen 3.020 N/A SER 265.A OG GLN 261.A O no hydrogen 2.844 N/A PHE 266.A N ILE 263.A O no hydrogen 3.419 N/A ARG 268.A N SER 265.A O no hydrogen 2.681 N/A ASP 269.A N SER 265.A O no hydrogen 3.185 N/A LYS 274.A N PRO 26.A O no hydrogen 3.188 N/A ILE 276.A N LEU 28.A O no hydrogen 2.965 N/A LEU 278.A N MET 30.A O no hydrogen 3.078 N/A ASN 281.A N TRP 308.A O no hydrogen 2.979 N/A ASN 281.A ND2 ALA 33.A O ASN 281.A HD21 2.885 2.284 TYR 282.A N GLY 34.A O no hydrogen 2.933 N/A ARG 283.A N ASN 281.A OD1 no hydrogen 2.795 N/A SER 284.A N ASN 281.A OD1 no hydrogen 2.970 N/A SER 284.A OG ALA 582.A O no hydrogen 2.657 N/A THR 285.A OG1 GLU 583.A O no hydrogen 3.396 N/A LYS 286.A N PRO 312.A O no hydrogen 3.004 N/A LYS 286.A NZ THR 309.A O no hydrogen 3.550 N/A LYS 286.A NZ ASN 311.A O no hydrogen 2.369 N/A ARG 287.A N GLU 313.A O no hydrogen 3.380 N/A ARG 287.A NE GLY 314.A O no hydrogen 3.108 N/A ARG 287.A NH2 GLY 314.A O no hydrogen 3.031 N/A LEU 289.A N THR 285.A O no hydrogen 3.135 N/A ALA 291.A N ARG 287.A O no hydrogen 3.102 N/A ALA 292.A N ILE 288.A O no hydrogen 3.233 N/A ASN 293.A N LEU 289.A O no hydrogen 2.695 N/A GLU 294.A N GLN 290.A O no hydrogen 3.161 N/A ILE 296.A N ALA 292.A O no hydrogen 3.107 N/A HIS 298.A N VAL 295.A O no hydrogen 3.063 N/A HIS 298.A ND1 GLU 294.A O no hydrogen 2.941 N/A ASN 299.A N ILE 296.A O no hydrogen 2.841 N/A ASN 299.A ND2 GLU 569.A O ASN 299.A HD22 3.167 2.370 VAL 300.A N GLU 569.A OE2 no hydrogen 2.877 N/A ASN 301.A N GLU 569.A OE1 no hydrogen 3.174 N/A ARG 302.A N VAL 300.A O no hydrogen 2.964 N/A ARG 302.A NH1 ASP 249.A OD1 no hydrogen 3.301 N/A LYS 303.A NZ GLU 267.A OE1 no hydrogen 2.650 N/A LYS 305.A NZ ASP 247.A OD1 no hydrogen 2.830 N/A LYS 305.A NZ ASP 249.A OD2 no hydrogen 2.846 N/A ARG 306.A N GLU 279.A OE2 no hydrogen 2.814 N/A ARG 306.A NE GLU 297.A OE1 no hydrogen 3.296 N/A ARG 306.A NH2 GLU 294.A OE2 no hydrogen 2.821 N/A ARG 306.A NH2 GLU 297.A OE1 no hydrogen 2.742 N/A ARG 306.A NH2 GLU 297.A OE2 no hydrogen 3.263 N/A TRP 308.A N GLU 279.A O no hydrogen 3.098 N/A THR 309.A OG1 ASN 281.A O no hydrogen 3.160 N/A THR 309.A OG1 SER 284.A O no hydrogen 3.488 N/A ASN 311.A N THR 309.A OG1 no hydrogen 2.863 N/A LYS 315.A NZ GLU 585.A OE2 no hydrogen 2.804 N/A ILE 317.A N LEU 616.A O no hydrogen 3.143 N/A LEU 318.A N LEU 586.A O no hydrogen 3.343 N/A TYR 319.A N GLU 618.A O no hydrogen 2.647 N/A TYR 319.A OH SER 590.A OG no hydrogen 2.613 N/A TYR 320.A N LEU 588.A O no hydrogen 2.780 N/A TYR 320.A OH ASP 327.A OD1 no hydrogen 2.957 N/A TYR 320.A OH ASP 327.A OD2 no hydrogen 3.282 N/A ALA 322.A N SER 590.A O no hydrogen 2.819 N/A MET 323.A N ASP 327.A OD2 no hydrogen 2.796 N/A ASP 327.A N ASN 324.A OD1 no hydrogen 2.881 N/A GLU 328.A N ASN 324.A O no hydrogen 3.127 N/A ALA 329.A N GLU 325.A O no hydrogen 3.241 N/A GLN 330.A N ALA 326.A O no hydrogen 2.902 N/A PHE 331.A N ASP 327.A O no hydrogen 2.795 N/A VAL 332.A N GLU 328.A O no hydrogen 3.156 N/A ALA 333.A N ALA 329.A O no hydrogen 2.941 N/A GLY 334.A N GLN 330.A O no hydrogen 2.869 N/A ARG 335.A N PHE 331.A O no hydrogen 2.941 N/A ARG 335.A NH1 GLU 585.A OE1 no hydrogen 3.355 N/A ARG 335.A NH2 GLU 585.A OE1 no hydrogen 3.269 N/A ILE 336.A N VAL 332.A O no hydrogen 3.118 N/A ARG 337.A N ALA 333.A O no hydrogen 2.960 N/A GLU 338.A N GLY 334.A O no hydrogen 2.898 N/A ALA 339.A N ARG 335.A O no hydrogen 3.232 N/A VAL 340.A N ILE 336.A O no hydrogen 3.141 N/A VAL 340.A N ARG 337.A O no hydrogen 2.937 N/A GLU 341.A N ARG 337.A O no hydrogen 2.896 N/A GLY 343.A N VAL 340.A O no hydrogen 2.982 N/A GLU 344.A N ALA 339.A O no hydrogen 3.056 N/A ARG 345.A N ALA 339.A O no hydrogen 3.123 N/A ARG 345.A NH1 GLU 584.A OE1 no hydrogen 2.612 N/A ARG 345.A NH2 GLU 584.A OE1 no hydrogen 2.602 N/A ARG 345.A NH2 GLU 585.A OE2 no hydrogen 2.701 N/A ARG 346.A N ASP 349.A OD2 no hydrogen 2.886 N/A ARG 348.A N ASP 528.A OD1 no hydrogen 2.818 N/A ASP 349.A N ARG 346.A O no hydrogen 3.149 N/A PHE 350.A N TYR 347.A O no hydrogen 3.275 N/A ALA 351.A N VAL 545.A O no hydrogen 3.051 N/A VAL 352.A N MET 531.A O no hydrogen 2.931 N/A LEU 353.A N PHE 547.A O no hydrogen 2.894 N/A TYR 354.A N MET 533.A O no hydrogen 3.147 N/A ARG 355.A NE GLU 571.A OE1 no hydrogen 2.965 N/A ARG 355.A NE GLU 571.A OE2 no hydrogen 3.015 N/A ARG 355.A NH1 ARG 355.A O no hydrogen 3.017 N/A ARG 355.A NH2 GLU 571.A OE2 no hydrogen 2.703 N/A THR 356.A OG1 GLN 359.A OE1 no hydrogen 3.153 N/A SER 360.A N ASN 357.A O no hydrogen 3.103 N/A SER 360.A OG ASN 357.A O no hydrogen 2.596 N/A SER 360.A OG GLU 364.A OE2 no hydrogen 3.138 N/A ARG 361.A N ALA 358.A O no hydrogen 3.015 N/A ARG 361.A NE GLU 365.A OE2 no hydrogen 3.125 N/A ARG 361.A NH1 GLU 498.A OE1 no hydrogen 2.709 N/A ARG 361.A NH2 GLU 365.A OE2 no hydrogen 2.689 N/A GLU 364.A N SER 360.A O no hydrogen 2.736 N/A GLU 365.A N ARG 361.A O no hydrogen 3.060 N/A MET 366.A N VAL 362.A O no hydrogen 3.127 N/A LEU 367.A N MET 363.A O no hydrogen 2.958 N/A LEU 368.A N GLU 364.A O no hydrogen 3.042 N/A LYS 369.A N GLU 365.A O no hydrogen 2.956 N/A ALA 370.A N MET 366.A O no hydrogen 3.101 N/A ASN 371.A N LEU 368.A O no hydrogen 3.099 N/A ILE 372.A N LEU 367.A O no hydrogen 2.845 N/A TYR 374.A OH GLU 364.A OE1 no hydrogen 2.886 N/A GLN 375.A N VAL 530.A O no hydrogen 2.889 N/A VAL 377.A N LEU 532.A O no hydrogen 2.777 N/A LYS 381.A NZ TYR 374.A O no hydrogen 3.158 N/A PHE 382.A N GLU 364.A OE1 no hydrogen 3.032 N/A ARG 385.A N PHE 382.A O no hydrogen 3.211 N/A ARG 385.A NE LEU 380.A O no hydrogen 2.771 N/A ARG 385.A NE LYS 381.A O no hydrogen 3.045 N/A ARG 385.A NH1 ASN 357.A O no hydrogen 2.752 N/A ARG 385.A NH1 SER 360.A OG no hydrogen 2.959 N/A ARG 385.A NH2 SER 360.A OG no hydrogen 2.843 N/A ARG 385.A NH2 LEU 380.A O no hydrogen 2.637 N/A LYS 386.A NZ ASP 390.A OD2 no hydrogen 2.695 N/A GLU 387.A N GLU 387.A OE1 no hydrogen 2.830 N/A ILE 388.A N ARG 385.A O no hydrogen 3.250 N/A LYS 389.A N ARG 385.A O no hydrogen 3.008 N/A LYS 389.A NZ ASP 384.A O no hydrogen 3.532 N/A ASP 390.A N LYS 386.A O no hydrogen 2.733 N/A ILE 391.A N GLU 387.A O no hydrogen 2.965 N/A LEU 392.A N ILE 388.A O no hydrogen 2.874 N/A ALA 393.A N LYS 389.A O no hydrogen 2.908 N/A TYR 394.A N ASP 390.A O no hydrogen 3.186 N/A TYR 394.A OH VAL 413.A O no hydrogen 2.719 N/A LEU 395.A N ILE 391.A O no hydrogen 2.946 N/A ARG 396.A N LEU 392.A O no hydrogen 2.935 N/A VAL 397.A N ALA 393.A O no hydrogen 3.029 N/A ILE 398.A N TYR 394.A O no hydrogen 3.019 N/A ALA 399.A N LEU 395.A O no hydrogen 3.010 N/A ALA 399.A N ARG 396.A O no hydrogen 3.039 N/A ASN 400.A N ARG 396.A O no hydrogen 2.812 N/A ASP 403.A N ASN 400.A O no hydrogen 2.978 N/A SER 406.A N ASP 403.A OD1 no hydrogen 2.955 N/A SER 406.A OG ASP 403.A OD2 no hydrogen 3.005 N/A LEU 407.A N ASP 403.A O no hydrogen 3.020 N/A LEU 408.A N ASP 404.A O no hydrogen 2.783 N/A ARG 409.A N LEU 405.A O no hydrogen 2.997 N/A ARG 409.A NE ASP 390.A OD1 no hydrogen 2.925 N/A ARG 409.A NH2 ASP 390.A OD1 no hydrogen 2.754 N/A ILE 410.A N SER 406.A O no hydrogen 3.103 N/A ILE 410.A N LEU 407.A O no hydrogen 3.007 N/A ILE 411.A N LEU 407.A O no hydrogen 2.744 N/A ASN 412.A ND2 ILE 411.A O ASN 412.A HD21 3.390 2.534 ASN 412.A ND2 SER 421.A O ASN 412.A HD22 2.803 1.935 VAL 413.A N ILE 410.A O no hydrogen 3.194 N/A ARG 416.A N SER 421.A OG no hydrogen 2.977 N/A ARG 416.A NE SER 421.A OG no hydrogen 2.753 N/A ARG 416.A NH2 ILE 410.A O no hydrogen 3.410 N/A ARG 416.A NH2 ILE 411.A O no hydrogen 2.579 N/A SER 421.A OG PRO 414.A O no hydrogen 3.335 N/A ILE 423.A N ASN 412.A OD1 no hydrogen 2.945 N/A LEU 425.A N ASP 404.A OD1 no hydrogen 2.629 N/A GLY 430.A N GLU 427.A O no hydrogen 2.644 N/A GLU 431.A N GLU 427.A O no hydrogen 3.209 N/A LEU 437.A N ILE 435.A O no hydrogen 2.969 N/A ALA 441.A N GLY 438.A O no hydrogen 2.829 N/A GLY 443.A N LYS 440.A O no hydrogen 3.011 N/A ALA 444.A N LYS 440.A O no hydrogen 2.836 N/A ALA 447.A N GLY 443.A O no hydrogen 3.088 N/A ARG 449.A N LEU 445.A O no hydrogen 2.930 N/A ARG 449.A NE PHE 426.A O no hydrogen 3.088 N/A ARG 449.A NH1 GLU 453.A OE2 no hydrogen 2.719 N/A ARG 449.A NH2 PHE 426.A O no hydrogen 2.780 N/A SER 450.A N ALA 446.A O no hydrogen 2.899 N/A SER 450.A OG ALA 446.A O no hydrogen 3.192 N/A SER 450.A OG ALA 447.A O no hydrogen 2.821 N/A GLN 451.A N ALA 447.A O no hydrogen 2.833 N/A GLN 451.A NE2 GLN 451.A O GLN 451.A HE21 3.294 2.320 LEU 452.A N PHE 448.A O no hydrogen 2.956 N/A GLU 453.A N ARG 449.A O no hydrogen 2.765 N/A GLN 454.A N SER 450.A O no hydrogen 2.939 N/A TRP 455.A N GLN 451.A O no hydrogen 2.958 N/A THR 456.A N LEU 452.A O no hydrogen 2.908 N/A THR 456.A OG1 LEU 452.A O no hydrogen 2.755 N/A GLN 457.A N GLU 453.A O no hydrogen 3.106 N/A GLN 457.A N GLN 454.A O no hydrogen 2.930 N/A LEU 458.A N GLN 454.A O no hydrogen 2.921 N/A GLN 459.A N TRP 455.A O no hydrogen 3.278 N/A GLU 460.A N GLN 457.A O no hydrogen 3.252 N/A TYR 461.A N LEU 458.A O no hydrogen 3.157 N/A VAL 462.A N LEU 458.A O no hydrogen 3.265 N/A SER 463.A N GLU 466.A OE1 no hydrogen 2.880 N/A SER 463.A OG GLU 466.A OE1 no hydrogen 3.065 N/A SER 463.A OG GLU 507.A OE2 no hydrogen 3.304 N/A THR 465.A N GLU 507.A OE1 no hydrogen 3.115 N/A THR 465.A OG1 THR 503.A OG1 no hydrogen 2.674 N/A THR 465.A OG1 GLU 507.A OE1 no hydrogen 3.057 N/A GLU 466.A N SER 463.A OG no hydrogen 3.282 N/A LEU 467.A N SER 463.A O no hydrogen 2.804 N/A VAL 468.A N VAL 464.A O no hydrogen 2.890 N/A GLU 469.A N THR 465.A O no hydrogen 2.910 N/A GLU 470.A N GLU 466.A O no hydrogen 2.828 N/A VAL 471.A N LEU 467.A O no hydrogen 2.848 N/A LEU 472.A N VAL 468.A O no hydrogen 2.946 N/A ASP 473.A N GLU 469.A O no hydrogen 3.165 N/A ASP 473.A N GLU 470.A O no hydrogen 3.258 N/A LYS 474.A N GLU 470.A O no hydrogen 2.864 N/A SER 475.A N VAL 471.A O no hydrogen 2.803 N/A SER 475.A OG VAL 471.A O no hydrogen 2.721 N/A GLY 476.A N ASP 473.A O no hydrogen 2.912 N/A TYR 477.A N SER 475.A OG no hydrogen 3.194 N/A TYR 477.A OH ASP 390.A OD2 no hydrogen 2.706 N/A ARG 478.A N LEU 472.A O no hydrogen 3.067 N/A MET 480.A N GLY 476.A O no hydrogen 3.031 N/A LEU 481.A N TYR 477.A O no hydrogen 3.186 N/A LYS 482.A N ARG 478.A O no hydrogen 2.976 N/A ALA 483.A N GLU 479.A O no hydrogen 2.854 N/A ALA 483.A N MET 480.A O no hydrogen 3.251 N/A GLU 484.A N MET 480.A O no hydrogen 3.285 N/A ARG 485.A NH1 LYS 137.A O no hydrogen 3.132 N/A THR 486.A OG1 GLU 484.A OE1 no hydrogen 3.042 N/A ALA 489.A N THR 486.A OG1 no hydrogen 3.035 N/A GLN 490.A N THR 486.A O no hydrogen 3.060 N/A GLN 490.A NE2 GLU 494.A OE2 GLN 490.A HE21 2.724 1.982 SER 491.A N ILE 487.A O no hydrogen 3.090 N/A SER 491.A OG ASN 357.A OD1 no hydrogen 3.157 N/A ARG 492.A N GLU 488.A O no hydrogen 3.081 N/A ARG 492.A NH1 GLU 387.A OE1 no hydrogen 2.648 N/A LEU 493.A N ALA 489.A O no hydrogen 3.051 N/A GLU 494.A N GLN 490.A O no hydrogen 3.005 N/A ASN 495.A N SER 491.A O no hydrogen 3.054 N/A ASN 495.A N ARG 492.A O no hydrogen 3.241 N/A LEU 496.A N ARG 492.A O no hydrogen 3.218 N/A LEU 496.A N LEU 493.A O no hydrogen 2.991 N/A ASP 497.A N LEU 493.A O no hydrogen 3.082 N/A GLU 498.A N GLU 494.A O no hydrogen 3.160 N/A PHE 499.A N ASN 495.A O no hydrogen 2.941 N/A LEU 500.A N LEU 496.A O no hydrogen 3.107 N/A SER 501.A N ASP 497.A O no hydrogen 3.260 N/A SER 501.A N GLU 498.A O no hydrogen 3.001 N/A VAL 502.A N GLU 498.A O no hydrogen 3.178 N/A THR 503.A N PHE 499.A O no hydrogen 3.099 N/A THR 503.A OG1 THR 465.A OG1 no hydrogen 2.674 N/A THR 503.A OG1 LEU 500.A O no hydrogen 3.091 N/A LYS 504.A N LEU 500.A O no hydrogen 3.255 N/A HIS 505.A N SER 501.A O no hydrogen 3.096 N/A PHE 506.A N VAL 502.A O no hydrogen 3.121 N/A GLU 507.A N THR 503.A O no hydrogen 3.035 N/A ASN 508.A N HIS 505.A O no hydrogen 3.169 N/A VAL 509.A N HIS 505.A O no hydrogen 2.961 N/A VAL 509.A N PHE 506.A O no hydrogen 2.915 N/A SER 510.A N PHE 506.A O no hydrogen 2.935 N/A LYS 513.A NZ GLU 507.A O no hydrogen 2.902 N/A SER 514.A N ASP 512.A OD1 no hydrogen 3.081 N/A SER 514.A OG ASP 512.A OD1 no hydrogen 3.062 N/A ALA 517.A N SER 514.A OG no hydrogen 2.930 N/A PHE 518.A N SER 514.A O no hydrogen 2.900 N/A LEU 519.A N LEU 515.A O no hydrogen 3.077 N/A THR 520.A N ILE 516.A O no hydrogen 3.033 N/A THR 520.A OG1 ILE 516.A O no hydrogen 2.870 N/A ASP 521.A N ALA 517.A O no hydrogen 2.852 N/A LEU 522.A N PHE 518.A O no hydrogen 2.854 N/A ALA 523.A N THR 520.A O no hydrogen 2.928 N/A ILE 525.A N ASP 521.A O no hydrogen 3.444 N/A SER 526.A OG LEU 522.A O no hydrogen 2.909 N/A SER 526.A OG ILE 525.A O no hydrogen 2.947 N/A VAL 530.A N PRO 373.A O no hydrogen 2.792 N/A MET 531.A N PHE 350.A O no hydrogen 2.982 N/A LEU 532.A N GLN 375.A O no hydrogen 2.875 N/A MET 533.A N VAL 352.A O no hydrogen 3.256 N/A LEU 535.A N TYR 354.A O no hydrogen 3.049 N/A ALA 537.A N THR 534.A O no hydrogen 3.029 N/A ALA 538.A N LEU 535.A O no hydrogen 3.296 N/A LYS 539.A NZ GLU 220.A OE1 no hydrogen 3.411 N/A LYS 539.A NZ ASP 223.A OD2 no hydrogen 3.167 N/A LEU 541.A N ALA 538.A O no hydrogen 3.047 N/A PHE 543.A N ARG 581.A O no hydrogen 2.962 N/A VAL 545.A N ASP 349.A O no hydrogen 3.006 N/A VAL 546.A N GLU 585.A O no hydrogen 3.276 N/A PHE 547.A N ALA 351.A O no hydrogen 2.872 N/A LEU 548.A N VAL 587.A O no hydrogen 2.879 N/A ILE 549.A N LEU 353.A O no hydrogen 3.244 N/A GLY 550.A N GLU 328.A OE2 no hydrogen 2.986 N/A MET 551.A N THR 589.A O no hydrogen 3.018 N/A GLU 553.A N PRO 604.A O no hydrogen 2.907 N/A GLY 554.A N PRO 557.A O no hydrogen 3.017 N/A ILE 555.A N GLU 552.A O no hydrogen 3.099 N/A PHE 556.A N GLU 552.A O no hydrogen 2.803 N/A HIS 558.A N GLU 571.A OE1 no hydrogen 2.940 N/A ASN 559.A ND2 GLY 554.A O ASN 559.A HD21 2.969 2.096 SER 561.A N HIS 558.A O no hydrogen 3.037 N/A SER 561.A OG HIS 558.A O no hydrogen 2.493 N/A GLU 567.A N ASP 564.A OD2 no hydrogen 3.235 N/A MET 568.A N ASP 564.A O no hydrogen 3.254 N/A GLU 569.A N ASP 565.A O no hydrogen 3.178 N/A GLU 571.A N GLU 567.A O no hydrogen 2.988 N/A ARG 572.A N MET 568.A O no hydrogen 3.017 N/A ARG 572.A NE ASN 299.A OD1 no hydrogen 3.280 N/A ARG 572.A NH2 HIS 298.A O no hydrogen 2.871 N/A ARG 573.A N GLU 569.A O no hydrogen 2.961 N/A ARG 573.A NH1 SER 251.A O no hydrogen 3.325 N/A LEU 574.A N GLU 570.A O no hydrogen 2.989 N/A ALA 575.A N GLU 571.A O no hydrogen 3.085 N/A TYR 576.A N ARG 572.A O no hydrogen 2.872 N/A TYR 576.A OH ASP 247.A OD2 no hydrogen 2.975 N/A VAL 577.A N ARG 573.A O no hydrogen 2.878 N/A GLY 578.A N LEU 574.A O no hydrogen 2.776 N/A ILE 579.A N ALA 575.A O no hydrogen 3.014 N/A THR 580.A N TYR 576.A O no hydrogen 3.307 N/A THR 580.A OG1 TYR 576.A O no hydrogen 2.599 N/A THR 580.A OG1 VAL 577.A O no hydrogen 3.269 N/A ARG 581.A N GLY 578.A O no hydrogen 3.132 N/A ARG 581.A NH1 THR 580.A OG1 no hydrogen 3.323 N/A ARG 581.A NH2 LEU 541.A O no hydrogen 2.930 N/A ARG 581.A NH2 GLU 542.A OE1 no hydrogen 2.736 N/A ALA 582.A N ILE 579.A O no hydrogen 3.116 N/A GLU 583.A N PHE 543.A O no hydrogen 3.117 N/A GLU 584.A N PRO 544.A O no hydrogen 3.076 N/A GLU 585.A N PRO 544.A O no hydrogen 3.107 N/A VAL 587.A N VAL 546.A O no hydrogen 2.980 N/A LEU 588.A N LEU 318.A O no hydrogen 2.971 N/A THR 589.A N LEU 548.A O no hydrogen 3.210 N/A THR 589.A OG1 GLU 328.A OE2 no hydrogen 3.246 N/A SER 590.A N TYR 320.A O no hydrogen 3.135 N/A SER 590.A OG TYR 319.A OH no hydrogen 2.613 N/A ALA 591.A N GLU 552.A OE2 no hydrogen 2.886 N/A GLN 592.A N ALA 322.A O no hydrogen 2.807 N/A MET 593.A N MET 323.A O no hydrogen 2.818 N/A ARG 594.A N GLN 601.A O no hydrogen 2.859 N/A ARG 594.A NE GLU 552.A OE2 no hydrogen 3.350 N/A THR 595.A N GLU 325.A OE1 no hydrogen 2.941 N/A LEU 596.A N ASN 599.A O no hydrogen 3.065 N/A PHE 597.A N GLU 498.A OE2 no hydrogen 2.815 N/A ASN 599.A N LEU 596.A O no hydrogen 3.042 N/A GLN 601.A N ARG 594.A O no hydrogen 2.887 N/A SER 606.A N MET 551.A O no hydrogen 2.878 N/A SER 606.A OG PHE 556.A O no hydrogen 3.350 N/A ARG 607.A N GLU 553.A OE2 no hydrogen 3.404 N/A ARG 607.A NE GLU 553.A OE2 no hydrogen 2.765 N/A ARG 607.A NH2 GLU 553.A OE1 no hydrogen 2.806 N/A ARG 607.A NH2 GLU 553.A OE2 no hydrogen 3.195 N/A PHE 608.A N SER 606.A OG no hydrogen 3.366 N/A LEU 609.A N SER 606.A O no hydrogen 2.987 N/A GLU 611.A N PHE 608.A O no hydrogen 3.063 N/A ILE 612.A N PHE 608.A O no hydrogen 3.272 N/A LEU 616.A N PRO 613.A O no hydrogen 2.813 N/A LEU 617.A N ALA 614.A O no hydrogen 2.975 N/A GLU 618.A N ILE 317.A O no hydrogen 2.881 N/A ALA 620.A N TYR 319.A O no hydrogen 2.614 N/A