Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3azq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N ASP 414.A O no hydrogen 3.000 N/A ALA 4.A N THR 416.A O no hydrogen 3.148 N/A ALA 8.A N PRO 5.A O no hydrogen 3.127 N/A TRP 9.A N ARG 451.A O no hydrogen 3.209 N/A TRP 9.A NE1 ALA 4.A O no hydrogen 3.086 N/A SER 11.A OG SER 450.A OG no hydrogen 2.785 N/A ILE 13.A N SER 11.A OG no hydrogen 3.078 N/A VAL 18.A N ASP 14.A O no hydrogen 3.106 N/A ALA 19.A N ALA 15.A O no hydrogen 2.935 N/A SER 20.A N ALA 16.A O no hydrogen 2.992 N/A ARG 21.A N LEU 17.A O no hydrogen 3.028 N/A ARG 21.A N VAL 18.A O no hydrogen 3.159 N/A SER 22.A N ALA 19.A O no hydrogen 2.847 N/A SER 22.A OG ALA 19.A O no hydrogen 2.736 N/A ARG 24.A NH1 PRO 25.A O no hydrogen 2.999 N/A ALA 26.A N VAL 38.A O no hydrogen 2.722 N/A VAL 28.A N THR 340.A OG1 no hydrogen 2.900 N/A GLY 29.A N TRP 36.A O no hydrogen 2.813 N/A ALA 30.A N THR 342.A OG1 no hydrogen 2.892 N/A VAL 31.A N GLU 34.A O no hydrogen 2.982 N/A GLU 34.A N VAL 31.A O no hydrogen 2.942 N/A VAL 35.A N ARG 53.A O no hydrogen 2.988 N/A TRP 36.A N GLY 29.A O no hydrogen 2.849 N/A TRP 36.A NE1 GLU 34.A OE1 no hydrogen 2.827 N/A TRP 37.A N VAL 51.A O no hydrogen 3.270 N/A VAL 38.A N ALA 26.A O no hydrogen 2.608 N/A ALA 39.A N THR 49.A O no hydrogen 2.956 N/A ARG 41.A N ARG 47.A O no hydrogen 3.064 N/A ARG 41.A NH1 PRO 40.A O no hydrogen 2.794 N/A GLU 44.A N ARG 41.A O no hydrogen 2.896 N/A ARG 47.A N GLU 44.A O no hydrogen 3.145 N/A ARG 47.A NE GLU 44.A OE1 no hydrogen 2.628 N/A ARG 47.A NH1 LEU 63.A O no hydrogen 2.914 N/A ARG 47.A NH1 TRP 67.A O no hydrogen 2.923 N/A ARG 47.A NH2 GLU 44.A OE1 no hydrogen 2.903 N/A ARG 47.A NH2 LEU 63.A O no hydrogen 2.855 N/A ALA 48.A N ASN 68.A OD1 no hydrogen 2.727 N/A THR 49.A N ALA 39.A O no hydrogen 2.877 N/A THR 49.A OG1 LEU 50.A O no hydrogen 3.439 N/A THR 49.A OG1 SER 61.A OG no hydrogen 2.996 N/A THR 49.A OG1 LEU 63.A O no hydrogen 2.868 N/A VAL 51.A N TRP 37.A O no hydrogen 2.879 N/A ARG 52.A N GLU 60.A O no hydrogen 2.761 N/A ARG 52.A NE GLU 34.A OE1 no hydrogen 2.574 N/A ARG 52.A NH1 ASP 109.A OD1 no hydrogen 2.913 N/A ARG 52.A NH2 GLU 34.A OE1 no hydrogen 3.350 N/A ARG 52.A NH2 GLU 34.A OE2 no hydrogen 2.664 N/A ARG 52.A NH2 ASP 109.A OD1 no hydrogen 3.568 N/A ARG 52.A NH2 ASP 109.A OD2 no hydrogen 2.837 N/A ARG 53.A N VAL 35.A O no hydrogen 2.871 N/A ARG 53.A NE ILE 374.A O no hydrogen 2.839 N/A ARG 53.A NH2 ILE 374.A O no hydrogen 3.537 N/A ARG 54.A N ALA 58.A O no hydrogen 2.669 N/A GLY 57.A N ARG 54.A O no hydrogen 2.767 N/A GLU 60.A N ARG 52.A O no hydrogen 3.206 N/A SER 61.A OG THR 49.A OG1 no hydrogen 2.996 N/A ALA 62.A N LEU 50.A O no hydrogen 2.700 N/A TRP 67.A N PRO 64.A O no hydrogen 3.218 N/A ASN 68.A N HIS 97.A ND1 no hydrogen 2.923 N/A VAL 69.A N ALA 48.A O no hydrogen 2.727 N/A ARG 70.A N THR 96.A O no hydrogen 3.320 N/A ASN 71.A N SER 77.A OG no hydrogen 3.157 N/A ASN 71.A ND2 GLY 78.A O no hydrogen 3.086 N/A ASN 71.A ND2 THR 96.A OG1 no hydrogen 3.138 N/A ARG 72.A N GLN 101.A OE1 no hydrogen 2.832 N/A ARG 72.A NE GLU 75.A OE1 no hydrogen 2.878 N/A ARG 72.A NE GLU 75.A OE2 no hydrogen 3.412 N/A ARG 72.A NH2 GLU 75.A OE1 no hydrogen 3.479 N/A ARG 72.A NH2 GLU 75.A OE2 no hydrogen 3.160 N/A VAL 73.A N ASN 71.A OD1 no hydrogen 3.285 N/A PHE 74.A N GLU 148.A OE2 no hydrogen 3.088 N/A GLU 75.A N ARG 72.A O no hydrogen 2.778 N/A TYR 76.A N VAL 73.A O no hydrogen 3.228 N/A TYR 76.A OH GLU 550.A OE2 no hydrogen 2.551 N/A SER 77.A N VAL 73.A O no hydrogen 2.966 N/A SER 77.A OG GLY 78.A O no hydrogen 3.471 N/A GLY 78.A N ASN 71.A OD1 no hydrogen 2.858 N/A PHE 79.A N PRO 293.A O no hydrogen 2.822 N/A TRP 81.A NE1 CYS 27.A O no hydrogen 2.867 N/A ALA 82.A N VAL 94.A O no hydrogen 3.053 N/A VAL 84.A N LEU 92.A O no hydrogen 2.981 N/A ARG 86.A NE GLY 90.A O no hydrogen 2.705 N/A ARG 86.A NH1 GLY 89.A O no hydrogen 2.975 N/A ARG 86.A NH1 GLY 90.A O no hydrogen 3.061 N/A ARG 86.A NH1 GLU 107.A OE2 no hydrogen 2.736 N/A ARG 86.A NH2 GLU 107.A OE2 no hydrogen 3.469 N/A LEU 92.A N VAL 84.A O no hydrogen 2.854 N/A LEU 93.A N PHE 106.A O no hydrogen 3.060 N/A VAL 94.A N ALA 82.A O no hydrogen 3.001 N/A PHE 95.A N TYR 104.A O no hydrogen 2.783 N/A THR 96.A N PRO 80.A O no hydrogen 3.018 N/A HIS 97.A N ARG 102.A O no hydrogen 3.038 N/A PHE 98.A N ASN 68.A O no hydrogen 2.731 N/A GLN 101.A NE2 PHE 98.A O no hydrogen 2.932 N/A ARG 102.A N ASP 100.A OD2 no hydrogen 2.759 N/A ARG 102.A NE THR 120.A O no hydrogen 2.903 N/A ARG 102.A NH2 THR 120.A O no hydrogen 3.063 N/A LEU 103.A N THR 120.A OG1 no hydrogen 2.802 N/A TYR 104.A N PHE 95.A O no hydrogen 2.610 N/A TYR 104.A OH ASP 100.A OD1 no hydrogen 2.734 N/A ALA 105.A N ARG 117.A O no hydrogen 2.930 N/A PHE 106.A N LEU 93.A O no hydrogen 2.777 N/A ALA 110.A N GLU 107.A O no hydrogen 3.025 N/A GLY 113.A N ALA 110.A O no hydrogen 2.846 N/A ARG 117.A N ALA 105.A O no hydrogen 2.843 N/A ARG 117.A NH2 GLU 107.A OE1 no hydrogen 2.574 N/A LEU 119.A N LEU 103.A O no hydrogen 2.903 N/A VAL 125.A N SER 123.A OG no hydrogen 3.035 N/A GLY 128.A N VAL 125.A O no hydrogen 2.756 N/A ARG 130.A N GLU 148.A O no hydrogen 2.864 N/A ARG 130.A NE GLY 127.A O no hydrogen 2.685 N/A ARG 130.A NH1 GLU 75.A OE2 no hydrogen 3.420 N/A ARG 130.A NH1 GLU 148.A OE1 no hydrogen 3.269 N/A ARG 130.A NH2 GLU 75.A OE2 no hydrogen 3.385 N/A ALA 132.A N MET 146.A O no hydrogen 3.289 N/A ASP 133.A N PHE 79.A O no hydrogen 2.859 N/A VAL 135.A N TRP 144.A O no hydrogen 2.745 N/A LEU 137.A N GLU 142.A O no hydrogen 2.887 N/A ARG 140.A N LEU 137.A O no hydrogen 2.956 N/A ARG 140.A NH2 THR 224.A O no hydrogen 3.510 N/A GLY 141.A N PRO 138.A O no hydrogen 2.904 N/A GLU 142.A N LEU 137.A O no hydrogen 3.253 N/A VAL 143.A N VAL 165.A O no hydrogen 2.878 N/A TRP 144.A N VAL 135.A O no hydrogen 2.946 N/A TRP 144.A NE1 GLU 142.A OE1 no hydrogen 2.829 N/A CYS 145.A N ALA 163.A O no hydrogen 2.929 N/A CYS 145.A SG MET 146.A O no hydrogen 3.377 N/A MET 146.A N ALA 132.A O no hydrogen 3.027 N/A ALA 147.A N PHE 161.A O no hydrogen 2.830 N/A GLU 148.A N ARG 130.A O no hydrogen 2.927 N/A GLU 149.A N ARG 159.A O no hydrogen 2.846 N/A PHE 150.A N GLY 128.A O no hydrogen 2.929 N/A THR 151.A N ASP 157.A O no hydrogen 2.633 N/A GLY 154.A N ASP 157.A OD2 no hydrogen 2.509 N/A SER 156.A OG ASP 548.A OD1 no hydrogen 2.652 N/A ASP 157.A N GLY 154.A O no hydrogen 2.874 N/A ARG 159.A N GLU 149.A O no hydrogen 2.955 N/A ARG 159.A NE ASP 184.A OD1 no hydrogen 2.720 N/A ARG 159.A NH1 GLU 149.A OE1 no hydrogen 2.925 N/A ARG 159.A NH1 GLU 180.A OE2 no hydrogen 2.934 N/A ARG 159.A NH2 GLU 180.A OE1 no hydrogen 3.101 N/A ARG 159.A NH2 GLU 180.A OE2 no hydrogen 3.527 N/A ARG 159.A NH2 ASP 184.A OD1 no hydrogen 2.972 N/A ARG 160.A NE GLU 148.A OE2 no hydrogen 2.710 N/A ARG 160.A NH1 ARG 187.A O no hydrogen 2.749 N/A ARG 160.A NH1 ASP 548.A OD2 no hydrogen 3.019 N/A ARG 160.A NH2 GLU 148.A OE2 no hydrogen 3.395 N/A ARG 160.A NH2 ASP 548.A OD2 no hydrogen 3.088 N/A PHE 161.A N ALA 147.A O no hydrogen 3.127 N/A LEU 162.A N SER 182.A OG no hydrogen 3.055 N/A ALA 163.A N CYS 145.A O no hydrogen 2.685 N/A ALA 164.A N ARG 179.A O no hydrogen 2.829 N/A VAL 165.A N VAL 143.A O no hydrogen 2.781 N/A LEU 167.A N GLY 141.A O no hydrogen 2.898 N/A GLY 169.A N PRO 166.A O no hydrogen 3.319 N/A SER 170.A N ASP 168.A OD2 no hydrogen 2.718 N/A SER 170.A OG ASP 168.A OD1 no hydrogen 3.510 N/A SER 170.A OG ASP 168.A OD2 no hydrogen 2.732 N/A ALA 172.A N GLY 169.A O no hydrogen 3.157 N/A ASP 174.A N ALA 171.A O no hydrogen 3.177 N/A ARG 175.A NE GLU 149.A OE2 no hydrogen 2.570 N/A ARG 175.A NH1 ARG 175.A O no hydrogen 2.989 N/A ARG 175.A NH2 GLU 149.A OE1 no hydrogen 2.842 N/A ARG 175.A NH2 GLU 149.A OE2 no hydrogen 3.239 N/A ARG 175.A NH2 GLU 180.A OE2 no hydrogen 3.169 N/A SER 176.A OG ASP 174.A OD1 no hydrogen 2.460 N/A SER 176.A OG ASP 174.A OD2 no hydrogen 3.419 N/A ALA 177.A N ASP 174.A O no hydrogen 3.091 N/A ALA 177.A N ASP 174.A OD1 no hydrogen 3.161 N/A VAL 178.A N ARG 175.A O no hydrogen 3.127 N/A ARG 179.A N ALA 164.A O no hydrogen 3.051 N/A ARG 179.A NE GLU 142.A OE2 no hydrogen 3.005 N/A ARG 179.A NH1 GLY 227.A O no hydrogen 2.938 N/A ARG 179.A NH2 GLU 142.A OE1 no hydrogen 2.938 N/A ARG 179.A NH2 GLU 142.A OE2 no hydrogen 3.512 N/A ARG 179.A NH2 GLY 227.A O no hydrogen 2.962 N/A LEU 181.A N LEU 162.A O no hydrogen 2.816 N/A SER 182.A N LEU 162.A O no hydrogen 3.441 N/A SER 182.A OG ASP 183.A O no hydrogen 3.074 N/A ALA 185.A N ASP 183.A OD1 no hydrogen 2.758 N/A HIS 186.A ND1 ASP 207.A OD1 no hydrogen 3.236 N/A ARG 187.A N ASP 207.A OD2 no hydrogen 3.030 N/A ARG 187.A NH1 SER 156.A O no hydrogen 3.030 N/A ARG 187.A NH1 ASP 548.A OD2 no hydrogen 2.975 N/A ARG 187.A NH2 SER 156.A O no hydrogen 3.452 N/A PHE 188.A N TRP 206.A O no hydrogen 3.141 N/A THR 190.A N LEU 204.A O no hydrogen 3.110 N/A THR 190.A OG1 GLY 191.A O no hydrogen 3.528 N/A GLY 191.A N ASP 133.A OD2 no hydrogen 2.727 N/A ARG 193.A N VAL 202.A O no hydrogen 3.019 N/A ARG 193.A NE PRO 192.A O no hydrogen 2.964 N/A ARG 193.A NH1 GLU 247.A OE1 no hydrogen 3.424 N/A SER 195.A N GLN 200.A O no hydrogen 2.895 N/A SER 195.A OG ASP 197.A OD1 no hydrogen 2.745 N/A GLY 198.A N SER 195.A O no hydrogen 2.909 N/A ARG 199.A N SER 195.A OG no hydrogen 3.391 N/A ARG 199.A N ASP 197.A OD1 no hydrogen 2.862 N/A GLN 200.A NE2 THR 220.A OG1 no hydrogen 2.825 N/A GLN 200.A NE2 PRO 271.A O no hydrogen 2.988 N/A ALA 201.A N ALA 221.A O no hydrogen 2.925 N/A VAL 202.A N ARG 193.A O no hydrogen 3.140 N/A TRP 203.A N LYS 219.A O no hydrogen 3.015 N/A LEU 204.A N THR 190.A OG1 no hydrogen 2.971 N/A ALA 205.A N GLU 217.A O no hydrogen 3.024 N/A TRP 206.A N PHE 188.A O no hydrogen 3.063 N/A HIS 208.A NE2 ASP 548.A OD1 no hydrogen 2.881 N/A ARG 210.A N ASP 207.A O no hydrogen 3.024 N/A ARG 210.A NH1 GLU 214.A OE1 no hydrogen 2.630 N/A MET 211.A N GLU 214.A OE2 no hydrogen 2.947 N/A GLU 214.A N MET 211.A O no hydrogen 2.708 N/A GLY 215.A N MET 211.A O no hydrogen 3.379 N/A THR 216.A N GLU 241.A O no hydrogen 2.921 N/A THR 216.A OG1 ILE 243.A O no hydrogen 2.877 N/A GLU 217.A N ALA 205.A O no hydrogen 2.858 N/A LEU 218.A N LEU 236.A O no hydrogen 2.841 N/A LYS 219.A N TRP 203.A O no hydrogen 2.720 N/A LYS 219.A NZ HIS 186.A NE2 no hydrogen 3.511 N/A LYS 219.A NZ THR 234.A OG1 no hydrogen 2.877 N/A THR 220.A N ARG 233.A O no hydrogen 2.918 N/A THR 220.A OG1 ALA 201.A O no hydrogen 3.051 N/A ALA 221.A N ALA 201.A O no hydrogen 2.987 N/A ARG 222.A N ALA 230.A O no hydrogen 2.913 N/A VAL 223.A N ARG 199.A O no hydrogen 2.619 N/A THR 224.A N ARG 228.A O no hydrogen 2.880 N/A THR 224.A OG1 ASP 226.A OD2 no hydrogen 2.526 N/A THR 224.A OG1 ARG 228.A O no hydrogen 3.482 N/A GLY 227.A N THR 224.A O no hydrogen 3.234 N/A ARG 228.A N THR 224.A OG1 no hydrogen 2.988 N/A ARG 228.A NE ASP 226.A OD1 no hydrogen 2.949 N/A ARG 228.A NH2 ASP 226.A OD1 no hydrogen 3.062 N/A ALA 230.A N ARG 222.A O no hydrogen 2.913 N/A ARG 233.A N THR 220.A O no hydrogen 2.945 N/A ARG 233.A NH1 ALA 272.A O no hydrogen 3.078 N/A ARG 233.A NH2 PRO 271.A O no hydrogen 3.117 N/A THR 234.A OG1 GLU 217.A OE1 no hydrogen 3.311 N/A LEU 235.A N LEU 218.A O no hydrogen 2.779 N/A GLU 241.A N GLY 238.A O no hydrogen 3.331 N/A ALA 242.A N ASP 259.A OD1 no hydrogen 2.765 N/A ILE 243.A N THR 216.A OG1 no hydrogen 3.171 N/A ALA 244.A N ALA 257.A O no hydrogen 2.988 N/A GLN 245.A NE2 GLU 247.A OE1 no hydrogen 3.288 N/A GLN 245.A NE2 PHE 298.A O no hydrogen 3.024 N/A GLU 247.A N ILE 255.A O no hydrogen 2.823 N/A TRP 248.A NE1 ARG 193.A O no hydrogen 2.769 N/A ALA 249.A N SER 253.A O no hydrogen 2.867 N/A GLY 252.A N ALA 249.A O no hydrogen 2.673 N/A SER 253.A N ASP 251.A OD1 no hydrogen 2.977 N/A SER 253.A OG ASP 251.A OD1 no hydrogen 2.594 N/A SER 253.A OG ASP 251.A OD2 no hydrogen 3.542 N/A ILE 255.A N GLU 247.A O no hydrogen 2.869 N/A VAL 256.A N HIS 267.A O no hydrogen 2.923 N/A ALA 257.A N GLN 245.A O no hydrogen 2.971 N/A THR 258.A N ASN 265.A O no hydrogen 3.199 N/A THR 258.A OG1 GLU 241.A OE2 no hydrogen 2.858 N/A ASP 259.A N ALA 242.A O no hydrogen 3.228 N/A ARG 260.A N THR 258.A OG1 no hydrogen 3.126 N/A ARG 260.A NE GLU 241.A OE2 no hydrogen 3.084 N/A ARG 260.A NH2 GLU 241.A OE1 no hydrogen 3.344 N/A ARG 260.A NH2 GLU 241.A OE2 no hydrogen 2.819 N/A THR 261.A OG1 TRP 263.A O no hydrogen 3.372 N/A THR 261.A OG1 ASN 265.A OD1 no hydrogen 3.540 N/A GLY 262.A N ASP 259.A O no hydrogen 2.729 N/A TRP 264.A N GLU 285.A OE1 no hydrogen 2.685 N/A TRP 264.A NE1 ALA 242.A O no hydrogen 3.097 N/A ASN 265.A N THR 258.A O no hydrogen 2.968 N/A ASN 265.A ND2 TRP 264.A O no hydrogen 2.794 N/A ASN 265.A ND2 ARG 282.A O no hydrogen 3.312 N/A ASN 265.A ND2 GLU 284.A O no hydrogen 3.315 N/A HIS 267.A N VAL 256.A O no hydrogen 2.788 N/A HIS 267.A ND1 ASN 265.A O no hydrogen 2.971 N/A ARG 268.A N THR 277.A O no hydrogen 2.661 N/A VAL 269.A N LEU 254.A O no hydrogen 2.588 N/A ASP 270.A N ALA 275.A O no hydrogen 2.939 N/A ALA 272.A N ASP 270.A OD1 no hydrogen 2.880 N/A THR 273.A N ASP 270.A OD1 no hydrogen 2.767 N/A GLY 274.A N ASP 270.A O no hydrogen 2.902 N/A ALA 275.A N THR 273.A OG1 no hydrogen 3.183 N/A THR 277.A N ARG 268.A O no hydrogen 2.717 N/A LEU 279.A N LEU 266.A O no hydrogen 3.003 N/A ARG 281.A NH1 GLN 278.A OE1 no hydrogen 2.862 N/A ARG 282.A N ASN 265.A OD1 no hydrogen 3.193 N/A ARG 282.A NH1 GLU 284.A OE1 no hydrogen 3.174 N/A GLU 285.A N GLY 311.A O no hydrogen 2.852 N/A PHE 286.A N TRP 264.A O no hydrogen 2.787 N/A TRP 291.A N PRO 289.A O no hydrogen 3.006 N/A TRP 291.A NE1 THR 434.A O no hydrogen 3.088 N/A ARG 296.A N ALA 339.A O no hydrogen 3.454 N/A TRP 297.A N GLN 245.A OE1 no hydrogen 2.897 N/A PHE 298.A N GLN 245.A OE1 no hydrogen 3.327 N/A ALA 299.A N ALA 307.A O no hydrogen 2.802 N/A LEU 301.A N LEU 305.A O no hydrogen 2.729 N/A GLY 304.A N LEU 301.A O no hydrogen 3.068 N/A LEU 305.A N ASN 303.A OD1 no hydrogen 3.038 N/A ILE 306.A N LEU 320.A O no hydrogen 2.870 N/A ALA 307.A N ALA 299.A O no hydrogen 2.845 N/A VAL 308.A N GLY 318.A O no hydrogen 2.781 N/A VAL 309.A N TRP 297.A O no hydrogen 2.907 N/A HIS 310.A N VAL 316.A O no hydrogen 2.842 N/A HIS 310.A ND1 GLU 284.A OE1 no hydrogen 2.772 N/A HIS 310.A NE2 ASP 329.A OD1 no hydrogen 2.490 N/A GLY 311.A N GLU 285.A O no hydrogen 3.127 N/A GLY 313.A N GLY 465.A O no hydrogen 2.832 N/A ALA 315.A N GLU 336.A OE1 no hydrogen 3.414 N/A VAL 316.A N HIS 310.A O no hydrogen 2.779 N/A GLY 318.A N VAL 308.A O no hydrogen 2.727 N/A ILE 319.A N VAL 328.A O no hydrogen 2.890 N/A LEU 320.A N ILE 306.A O no hydrogen 2.734 N/A ASP 321.A N GLU 326.A O no hydrogen 3.063 N/A GLU 323.A N ASP 321.A OD2 no hydrogen 2.892 N/A GLY 325.A N ASP 321.A O no hydrogen 2.731 N/A GLU 326.A N SER 324.A OG no hydrogen 3.354 N/A VAL 328.A N ILE 319.A O no hydrogen 2.875 N/A ALA 330.A N LEU 317.A O no hydrogen 2.877 N/A TRP 334.A NE1 GLU 360.A OE1 no hydrogen 2.912 N/A THR 335.A N ALA 353.A O no hydrogen 3.085 N/A GLU 336.A N ALA 353.A O no hydrogen 3.307 N/A TRP 337.A N ALA 315.A O no hydrogen 2.823 N/A ALA 338.A N VAL 351.A O no hydrogen 2.710 N/A THR 342.A N VAL 349.A O no hydrogen 3.081 N/A SER 344.A N ARG 347.A O no hydrogen 2.948 N/A THR 346.A OG1 ASP 365.A OD1 no hydrogen 2.558 N/A ARG 347.A N SER 344.A O no hydrogen 2.779 N/A ARG 347.A NH2 SER 344.A OG no hydrogen 2.917 N/A ALA 348.A N LEU 364.A O no hydrogen 2.941 N/A VAL 349.A N THR 342.A O no hydrogen 2.777 N/A GLY 350.A N VAL 362.A O no hydrogen 2.894 N/A ALA 352.A N GLU 360.A O no hydrogen 3.024 N/A ALA 353.A N GLU 336.A O no hydrogen 3.025 N/A SER 354.A N THR 357.A O no hydrogen 2.953 N/A SER 354.A OG THR 357.A OG1 no hydrogen 2.951 N/A ARG 356.A N SER 354.A OG no hydrogen 3.084 N/A THR 357.A N SER 354.A OG no hydrogen 2.908 N/A THR 357.A OG1 SER 354.A OG no hydrogen 2.951 N/A GLU 360.A N ALA 352.A O no hydrogen 2.665 N/A VAL 361.A N GLY 375.A O no hydrogen 2.868 N/A VAL 362.A N GLY 350.A O no hydrogen 2.904 N/A GLU 363.A N ARG 372.A O no hydrogen 2.834 N/A LEU 364.A N ALA 348.A O no hydrogen 2.750 N/A ASP 365.A N ARG 370.A O no hydrogen 3.007 N/A THR 366.A N THR 346.A O no hydrogen 2.805 N/A THR 366.A OG1 THR 346.A O no hydrogen 2.792 N/A THR 368.A N ASP 365.A OD2 no hydrogen 3.038 N/A THR 368.A OG1 ASP 365.A OD2 no hydrogen 3.270 N/A GLY 369.A N ASP 365.A O no hydrogen 2.728 N/A ARG 370.A N THR 368.A OG1 no hydrogen 3.099 N/A ARG 372.A N GLU 363.A O no hydrogen 2.960 N/A ARG 372.A NE GLU 363.A OE1 no hydrogen 2.875 N/A ARG 372.A NH2 GLU 363.A OE1 no hydrogen 3.348 N/A ARG 372.A NH2 GLU 363.A OE2 no hydrogen 3.447 N/A THR 373.A OG1 GLU 360.A OE1 no hydrogen 3.454 N/A THR 373.A OG1 GLU 360.A OE2 no hydrogen 3.526 N/A ILE 374.A N VAL 361.A O no hydrogen 2.819 N/A GLY 375.A N VAL 361.A O no hydrogen 3.168 N/A ALA 376.A N GLU 59.A OE1 no hydrogen 3.355 N/A ALA 376.A N GLU 59.A OE2 no hydrogen 2.854 N/A HIS 378.A N GLU 360.A OE2 no hydrogen 2.770 N/A HIS 378.A NE2 ASP 380.A OD2 no hydrogen 2.744 N/A ALA 385.A N ASP 383.A OD1 no hydrogen 2.425 N/A TYR 386.A N ASP 383.A O no hydrogen 2.956 N/A TYR 386.A OH ASP 414.A OD2 no hydrogen 2.516 N/A TYR 387.A N PRO 384.A O no hydrogen 3.000 N/A TYR 387.A OH ASP 380.A OD2 no hydrogen 2.935 N/A GLN 391.A N ILE 407.A O no hydrogen 2.968 N/A ARG 393.A N ALA 405.A O no hydrogen 2.878 N/A ARG 393.A NH1 GLU 496.A OE2 no hydrogen 2.877 N/A THR 394.A OG1 HIS 404.A ND1 no hydrogen 3.371 N/A PHE 395.A N ILE 403.A O no hydrogen 2.897 N/A ALA 397.A N ARG 401.A O no hydrogen 3.106 N/A GLY 400.A N ALA 397.A O no hydrogen 2.816 N/A ARG 401.A N ASP 399.A OD1 no hydrogen 2.843 N/A ARG 401.A NE ASP 485.A OD1 no hydrogen 3.217 N/A ARG 401.A NH1 ASP 399.A OD1 no hydrogen 3.118 N/A ARG 401.A NH1 ASP 399.A OD2 no hydrogen 3.032 N/A ARG 401.A NH2 ASP 485.A OD1 no hydrogen 2.564 N/A ILE 403.A N PHE 395.A O no hydrogen 2.815 N/A ALA 405.A N ARG 393.A O no hydrogen 2.961 N/A HIS 406.A N ASP 457.A O no hydrogen 2.807 N/A ILE 407.A N GLN 391.A O no hydrogen 3.100 N/A TYR 408.A N VAL 455.A O no hydrogen 2.752 N/A HIS 411.A N THR 449.A O no hydrogen 3.026 N/A ASP 414.A N SER 412.A OG no hydrogen 3.144 N/A THR 416.A N SER 2.A O no hydrogen 3.290 N/A TYR 425.A N ARG 503.A O no hydrogen 3.003 N/A VAL 426.A N GLY 454.A O no hydrogen 2.773 N/A VAL 427.A N ALA 505.A O no hydrogen 2.603 N/A MET 428.A N ALA 456.A O no hydrogen 2.908 N/A ALA 429.A N ARG 507.A O no hydrogen 2.904 N/A HIS 430.A ND1 GLY 431.A O no hydrogen 2.733 N/A HIS 430.A NE2 SER 463.A OG no hydrogen 2.941 N/A THR 434.A N TYR 553.A OH no hydrogen 3.163 N/A THR 434.A OG1 TYR 553.A OH no hydrogen 2.710 N/A SER 435.A N PRO 433.A O no hydrogen 2.513 N/A ARG 436.A N SER 435.A OG no hydrogen 2.563 N/A ARG 436.A NH1 GLU 336.A OE1 no hydrogen 3.305 N/A ARG 436.A NH1 GLU 336.A OE2 no hydrogen 3.477 N/A ARG 436.A NH2 GLU 336.A OE2 no hydrogen 2.863 N/A VAL 437.A N ASN 459.A OD1 no hydrogen 2.919 N/A ALA 439.A N GLU 336.A OE2 no hydrogen 3.038 N/A LEU 441.A N SER 354.A O no hydrogen 2.792 N/A ASP 444.A N ASP 442.A OD1 no hydrogen 2.647 N/A VAL 445.A N ASP 442.A O no hydrogen 2.764 N/A ALA 446.A N ASP 442.A O no hydrogen 3.015 N/A TYR 447.A N LEU 443.A O no hydrogen 2.717 N/A PHE 448.A N VAL 445.A O no hydrogen 2.800 N/A THR 449.A N VAL 445.A O no hydrogen 3.047 N/A THR 449.A OG1 ALA 446.A O no hydrogen 3.308 N/A SER 450.A N ALA 446.A O no hydrogen 2.808 N/A SER 450.A OG SER 11.A OG no hydrogen 2.785 N/A SER 450.A OG ALA 446.A O no hydrogen 2.731 N/A ARG 451.A N PHE 448.A O no hydrogen 2.826 N/A ARG 451.A NH1 ILE 13.A O no hydrogen 3.146 N/A ARG 451.A NH1 TYR 447.A O no hydrogen 2.758 N/A ARG 451.A NH2 ILE 13.A O no hydrogen 2.899 N/A GLY 452.A N THR 449.A O no hydrogen 3.102 N/A ILE 453.A N PHE 448.A O no hydrogen 3.057 N/A GLY 454.A N PRO 424.A O no hydrogen 2.919 N/A VAL 455.A N TYR 408.A O no hydrogen 2.842 N/A ALA 456.A N VAL 426.A O no hydrogen 2.837 N/A ASP 457.A N HIS 406.A O no hydrogen 2.861 N/A VAL 458.A N MET 428.A O no hydrogen 3.237 N/A ASN 459.A N HIS 404.A O no hydrogen 2.899 N/A ASN 459.A ND2 VAL 437.A O no hydrogen 3.213 N/A TYR 460.A OH HIS 430.A O no hydrogen 2.784 N/A GLY 461.A N ASP 485.A OD2 no hydrogen 2.930 N/A GLY 462.A N TYR 470.A O no hydrogen 3.176 N/A SER 463.A N TYR 460.A O no hydrogen 3.116 N/A SER 463.A OG HIS 430.A NE2 no hydrogen 2.941 N/A SER 463.A OG TYR 460.A O no hydrogen 2.691 N/A THR 464.A N SER 435.A O no hydrogen 2.669 N/A GLY 467.A N GLU 285.A OE2 no hydrogen 3.043 N/A ARG 468.A N GLY 262.A O no hydrogen 2.856 N/A ARG 468.A NH1 GLU 214.A O no hydrogen 3.100 N/A ARG 468.A NH1 ASP 259.A OD2 no hydrogen 2.575 N/A ARG 468.A NH2 GLU 214.A O no hydrogen 2.742 N/A TYR 470.A OH ASN 459.A O no hydrogen 3.124 N/A ARG 471.A N GLY 467.A O no hydrogen 3.125 N/A ARG 471.A NH2 TRP 213.A O no hydrogen 3.073 N/A ARG 471.A NH2 ASP 259.A OD2 no hydrogen 3.038 N/A GLU 472.A N ARG 468.A O no hydrogen 2.754 N/A ARG 473.A N ALA 469.A O no hydrogen 3.144 N/A ARG 473.A N TYR 470.A O no hydrogen 3.355 N/A ARG 475.A N GLU 472.A O no hydrogen 2.689 N/A GLY 476.A N PHE 556.A O no hydrogen 2.663 N/A ARG 477.A N LEU 474.A O no hydrogen 2.843 N/A TRP 478.A N LEU 557.A O no hydrogen 2.890 N/A GLY 479.A N ASP 482.A OD1 no hydrogen 2.750 N/A VAL 480.A N ARG 477.A O no hydrogen 3.117 N/A VAL 481.A N ARG 477.A O no hydrogen 3.043 N/A GLU 484.A N VAL 480.A O no hydrogen 2.713 N/A ASP 485.A N VAL 481.A O no hydrogen 2.935 N/A CYS 486.A N ASP 482.A O no hydrogen 3.343 N/A CYS 486.A SG ASP 482.A O no hydrogen 3.363 N/A ALA 487.A N VAL 483.A O no hydrogen 3.046 N/A ALA 488.A N GLU 484.A O no hydrogen 2.606 N/A VAL 489.A N ASP 485.A O no hydrogen 3.050 N/A ALA 490.A N CYS 486.A O no hydrogen 3.083 N/A THR 491.A N ALA 487.A O no hydrogen 2.964 N/A THR 491.A OG1 ALA 487.A O no hydrogen 3.061 N/A THR 491.A OG1 ALA 488.A O no hydrogen 3.057 N/A ALA 492.A N ALA 488.A O no hydrogen 2.958 N/A LEU 493.A N VAL 489.A O no hydrogen 2.883 N/A ALA 494.A N ALA 490.A O no hydrogen 3.028 N/A GLU 495.A N THR 491.A O no hydrogen 2.725 N/A GLU 496.A N ALA 492.A O no hydrogen 2.889 N/A GLY 497.A N ALA 494.A O no hydrogen 3.339 N/A THR 498.A N LEU 493.A O no hydrogen 2.988 N/A THR 498.A OG1 GLU 496.A OE2 no hydrogen 3.333 N/A ALA 499.A N LEU 493.A O no hydrogen 3.273 N/A ASP 500.A N PRO 423.A O no hydrogen 2.961 N/A ARG 501.A NH2 GLU 495.A OE1 no hydrogen 3.436 N/A ALA 502.A N ASP 500.A OD1 no hydrogen 2.744 N/A ARG 503.A N ASP 500.A O no hydrogen 2.870 N/A ARG 503.A NE ASP 500.A OD2 no hydrogen 3.085 N/A ARG 503.A NH1 PHE 647.A O no hydrogen 3.080 N/A ARG 503.A NH2 LEU 422.A O no hydrogen 2.972 N/A ALA 505.A N TYR 425.A O no hydrogen 2.787 N/A VAL 506.A N CYS 528.A O no hydrogen 3.201 N/A ARG 507.A N VAL 427.A O no hydrogen 2.944 N/A ARG 507.A NE GLU 639.A OE2 no hydrogen 2.825 N/A ARG 507.A NH2 GLU 639.A OE1 no hydrogen 2.720 N/A ARG 507.A NH2 GLU 639.A OE2 no hydrogen 3.338 N/A GLY 508.A N THR 530.A O no hydrogen 3.241 N/A ALA 510.A N LEU 532.A O no hydrogen 2.916 N/A GLY 513.A N ALA 510.A O no hydrogen 2.668 N/A TRP 514.A N ALA 510.A O no hydrogen 2.938 N/A THR 515.A N ALA 511.A O no hydrogen 2.957 N/A THR 515.A OG1 ASP 482.A OD2 no hydrogen 2.487 N/A THR 515.A OG1 ALA 511.A O no hydrogen 3.141 N/A ALA 516.A N GLY 512.A O no hydrogen 3.100 N/A ALA 517.A N GLY 513.A O no hydrogen 2.822 N/A SER 518.A N TRP 514.A O no hydrogen 2.705 N/A SER 518.A OG TRP 514.A O no hydrogen 2.638 N/A SER 519.A N THR 515.A O no hydrogen 2.820 N/A SER 519.A OG THR 515.A O no hydrogen 2.792 N/A LEU 520.A N ALA 516.A O no hydrogen 2.971 N/A VAL 521.A N ALA 517.A O no hydrogen 2.988 N/A SER 522.A N SER 518.A O no hydrogen 2.892 N/A SER 522.A OG SER 518.A O no hydrogen 2.885 N/A VAL 525.A N THR 523.A OG1 no hydrogen 3.078 N/A ALA 527.A N LEU 504.A O no hydrogen 2.781 N/A GLY 529.A N PRO 583.A O no hydrogen 3.384 N/A THR 530.A N VAL 506.A O no hydrogen 2.869 N/A THR 530.A OG1 TYR 643.A OH no hydrogen 2.781 N/A VAL 531.A N LEU 585.A O no hydrogen 2.852 N/A LEU 532.A N GLY 508.A O no hydrogen 3.093 N/A TYR 533.A N LEU 587.A O no hydrogen 2.847 N/A LEU 536.A N GLN 599.A OE1 no hydrogen 2.601 N/A ASP 537.A N GLN 599.A OE1 no hydrogen 2.723 N/A GLY 540.A N ASP 537.A OD2 no hydrogen 2.632 N/A TRP 541.A N ASP 537.A O no hydrogen 2.902 N/A TRP 541.A NE1 VAL 594.A O no hydrogen 3.053 N/A ALA 542.A N LEU 538.A O no hydrogen 2.751 N/A ASP 543.A N LEU 539.A O no hydrogen 3.034 N/A ASP 543.A N GLY 540.A O no hydrogen 3.183 N/A GLY 545.A N TRP 541.A O no hydrogen 3.171 N/A THR 546.A OG1 VAL 594.A O no hydrogen 2.898 N/A HIS 547.A NE2 GLU 550.A OE2 no hydrogen 2.672 N/A GLU 550.A N HIS 547.A O no hydrogen 3.298 N/A SER 551.A N ASP 548.A O no hydrogen 2.943 N/A SER 551.A OG ASP 548.A O no hydrogen 2.797 N/A SER 551.A OG ASP 548.A OD1 no hydrogen 3.512 N/A ARG 552.A NE ASP 555.A OD1 no hydrogen 3.093 N/A ARG 552.A NH2 ASP 555.A OD2 no hydrogen 3.110 N/A TYR 553.A N GLU 550.A O no hydrogen 3.085 N/A TYR 553.A OH THR 434.A OG1 no hydrogen 2.710 N/A ASP 555.A N ARG 552.A O no hydrogen 2.953 N/A PHE 556.A N TYR 553.A O no hydrogen 3.003 N/A LEU 557.A N TYR 553.A O no hydrogen 3.106 N/A ILE 558.A N LEU 554.A O no hydrogen 2.903 N/A GLY 559.A N LEU 554.A O no hydrogen 3.195 N/A GLU 563.A N SER 560.A OG no hydrogen 2.935 N/A PHE 564.A N SER 560.A O no hydrogen 2.883 N/A ARG 567.A N PHE 564.A O no hydrogen 3.071 N/A ARG 567.A NH1 ILE 558.A O no hydrogen 2.952 N/A TYR 568.A OH GLY 559.A O no hydrogen 2.663 N/A ARG 569.A N GLU 566.A O no hydrogen 3.100 N/A ASP 570.A N GLU 566.A O no hydrogen 2.991 N/A ARG 571.A N ARG 567.A O no hydrogen 3.019 N/A ARG 571.A NH1 GLY 476.A O no hydrogen 3.339 N/A ARG 571.A NH2 GLY 476.A O no hydrogen 3.203 N/A LEU 574.A N LEU 536.A O no hydrogen 3.012 N/A THR 575.A N ALA 572.A O no hydrogen 3.162 N/A THR 575.A OG1 ARG 569.A O no hydrogen 2.571 N/A ARG 576.A N PRO 573.A O no hydrogen 3.047 N/A ALA 577.A N LEU 574.A O no hydrogen 3.344 N/A ARG 579.A N ARG 576.A O no hydrogen 2.841 N/A VAL 580.A N ALA 577.A O no hydrogen 2.981 N/A ARG 581.A NH1 ASP 524.A OD2 no hydrogen 3.255 N/A PHE 584.A N PRO 613.A O no hydrogen 3.388 N/A LEU 585.A N GLY 529.A O no hydrogen 3.040 N/A LEU 586.A N ALA 615.A O no hydrogen 2.978 N/A LEU 587.A N VAL 531.A O no hydrogen 2.912 N/A GLN 588.A N LEU 617.A O no hydrogen 3.074 N/A GLN 588.A NE2 GLY 589.A O no hydrogen 2.703 N/A GLN 588.A NE2 CYS 595.A O no hydrogen 3.138 N/A LEU 590.A N PHE 619.A O no hydrogen 2.742 N/A GLU 591.A N GLU 622.A O no hydrogen 2.909 N/A VAL 594.A N ASP 592.A OD2 no hydrogen 2.712 N/A CYS 595.A N ASP 592.A OD2 no hydrogen 2.912 N/A CYS 595.A SG TYR 533.A O no hydrogen 3.581 N/A CYS 595.A SG PRO 534.A O no hydrogen 3.459 N/A GLN 599.A N PRO 596.A O no hydrogen 2.955 N/A GLN 599.A NE2 ASP 537.A O no hydrogen 3.242 N/A CYS 600.A N PRO 597.A O no hydrogen 2.989 N/A CYS 600.A SG GLN 588.A OE1 no hydrogen 3.430 N/A ASP 601.A N PRO 597.A O no hydrogen 3.330 N/A ARG 602.A N GLU 598.A O no hydrogen 3.092 N/A PHE 603.A N GLN 599.A O no hydrogen 3.364 N/A LEU 604.A N CYS 600.A O no hydrogen 2.782 N/A GLU 605.A N ASP 601.A O no hydrogen 2.957 N/A ALA 606.A N ARG 602.A O no hydrogen 3.170 N/A ALA 608.A N LEU 604.A O no hydrogen 3.090 N/A GLY 609.A N GLU 661.A OXT no hydrogen 3.219 N/A CYS 610.A N VAL 607.A O no hydrogen 2.891 N/A HIS 614.A N GLY 660.A O no hydrogen 2.789 N/A HIS 614.A ND1 VAL 612.A O no hydrogen 2.869 N/A ALA 615.A N PHE 584.A O no hydrogen 3.216 N/A LEU 617.A N LEU 586.A O no hydrogen 2.856 N/A PHE 619.A N GLN 588.A O no hydrogen 2.892 N/A GLY 621.A N GLU 591.A OE1 no hydrogen 3.117 N/A HIS 624.A ND1 ASP 592.A OD1 no hydrogen 2.592 N/A ARG 627.A N GLU 622.A OE2 no hydrogen 3.021 N/A ARG 627.A NH1 HIS 624.A O no hydrogen 3.546 N/A ARG 628.A N GLU 622.A OE1 no hydrogen 2.949 N/A ARG 628.A NE GLY 621.A O no hydrogen 3.301 N/A LYS 629.A N PRO 42.A O no hydrogen 2.955 N/A THR 631.A OG1 GLU 622.A OE1 no hydrogen 2.601 N/A MET 632.A N ARG 628.A O no hydrogen 3.193 N/A VAL 633.A N LYS 629.A O no hydrogen 3.122 N/A ARG 634.A N GLU 630.A O no hydrogen 3.220 N/A ALA 635.A N THR 631.A O no hydrogen 2.934 N/A LEU 636.A N MET 632.A O no hydrogen 2.762 N/A GLU 637.A N VAL 633.A O no hydrogen 3.003 N/A ALA 638.A N ARG 634.A O no hydrogen 2.897 N/A GLU 639.A N ALA 635.A O no hydrogen 3.140 N/A LEU 640.A N LEU 636.A O no hydrogen 3.011 N/A SER 641.A N GLU 637.A O no hydrogen 3.014 N/A SER 641.A OG PRO 655.A O no hydrogen 3.536 N/A LEU 642.A N ALA 638.A O no hydrogen 3.111 N/A TYR 643.A N GLU 639.A O no hydrogen 3.196 N/A TYR 643.A OH THR 530.A OG1 no hydrogen 2.781 N/A TYR 643.A OH GLU 639.A OE2 no hydrogen 2.612 N/A ALA 644.A N LEU 640.A O no hydrogen 2.707 N/A GLN 645.A N SER 641.A O no hydrogen 2.763 N/A GLN 645.A NE2 SER 641.A O no hydrogen 3.452 N/A GLN 645.A NE2 SER 641.A OG no hydrogen 2.616 N/A GLN 645.A NE2 LEU 657.A O no hydrogen 3.080 N/A VAL 646.A N LEU 642.A O no hydrogen 2.897 N/A PHE 647.A N TYR 643.A O no hydrogen 2.743 N/A VAL 649.A N ALA 644.A O no hydrogen 2.888 N/A LEU 657.A N SER 641.A OG no hydrogen 2.767 N/A GLY 660.A N HIS 614.A O no hydrogen 2.652 N/A