Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1aoq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A ND1 ALA 85.A O no hydrogen 2.836 N/A ARG 4.A N ASN 7.A OD1 no hydrogen 2.755 N/A THR 5.A OG1 MET 393.A O no hydrogen 3.191 N/A ASN 7.A N ARG 4.A O no hydrogen 3.351 N/A ASN 7.A ND2 LYS 2.A O no hydrogen 3.090 N/A ARG 8.A NE GLY 89.A O no hydrogen 3.237 N/A ARG 8.A NH2 GLY 89.A O no hydrogen 3.519 N/A SER 12.A OG GLU 47.A O no hydrogen 3.038 N/A LEU 13.A N PHE 46.A O no hydrogen 3.109 N/A ASN 15.A N GLU 225.A OE2 no hydrogen 2.782 N/A ASN 15.A ND2 GLU 225.A OE1 no hydrogen 3.130 N/A ASN 15.A ND2 GLU 225.A OE2 no hydrogen 3.104 N/A LEU 16.A N GLU 225.A OE2 no hydrogen 2.896 N/A ALA 17.A N LEU 13.A O no hydrogen 3.038 N/A GLN 18.A N ASN 15.A O no hydrogen 3.200 N/A GLN 19.A N LEU 16.A O no hydrogen 3.108 N/A VAL 21.A N ASN 39.A OD1 no hydrogen 2.892 N/A ALA 23.A N ASP 35.A OD1 no hydrogen 3.278 N/A VAL 30.A N PRO 27.A O no hydrogen 2.984 N/A SER 34.A N GLN 37.A OE1 no hydrogen 3.181 N/A GLN 37.A N SER 34.A OG no hydrogen 3.200 N/A TYR 38.A N SER 34.A O no hydrogen 2.760 N/A ASN 39.A N ASP 35.A O no hydrogen 2.931 N/A ASN 39.A ND2 VAL 21.A O no hydrogen 2.756 N/A ASN 39.A ND2 ASP 35.A O no hydrogen 2.800 N/A GLU 40.A N ALA 36.A O no hydrogen 2.858 N/A ALA 41.A N GLN 37.A O no hydrogen 3.015 N/A ASN 42.A N TYR 38.A O no hydrogen 2.782 N/A LYS 43.A N ASN 39.A O no hydrogen 2.922 N/A LYS 43.A NZ GLU 47.A OE1 no hydrogen 3.382 N/A LYS 43.A NZ GLU 47.A OE2 no hydrogen 3.074 N/A ILE 44.A N GLU 40.A O no hydrogen 3.259 N/A TYR 45.A N ALA 41.A O no hydrogen 2.850 N/A TYR 45.A OH GLY 54.A O no hydrogen 2.808 N/A PHE 46.A N ASN 42.A O no hydrogen 2.871 N/A GLU 47.A N LYS 43.A O no hydrogen 3.050 N/A ARG 48.A N ILE 44.A O no hydrogen 2.836 N/A ARG 48.A NH1 GLU 98.A O no hydrogen 2.848 N/A CYS 49.A N TYR 45.A O no hydrogen 2.782 N/A CYS 49.A SG ILE 44.A O no hydrogen 4.029 N/A ALA 50.A N TYR 45.A O no hydrogen 2.729 N/A CYS 52.A N CYS 49.A O no hydrogen 3.071 N/A CYS 52.A SG THR 61.A OG1 no hydrogen 3.666 N/A HIS 53.A N CYS 49.A O no hydrogen 3.025 N/A HIS 53.A ND1 LYS 63.A O no hydrogen 2.844 N/A GLY 54.A N ALA 50.A O no hydrogen 2.597 N/A VAL 55.A N GLU 281.A OE2 no hydrogen 3.014 N/A LEU 56.A N GLU 281.A OE1 no hydrogen 3.117 N/A ARG 57.A N GLY 54.A O no hydrogen 2.827 N/A ARG 57.A NE LEU 65.A O no hydrogen 2.847 N/A ARG 57.A NH2 LEU 65.A O no hydrogen 3.550 N/A ARG 57.A NH2 LEU 113.A O no hydrogen 2.971 N/A GLY 59.A N HIS 53.A O no hydrogen 2.796 N/A ALA 60.A N CYS 52.A O no hydrogen 3.110 N/A ALA 60.A N GLY 62.A O no hydrogen 2.844 N/A THR 61.A OG1 GLU 10.A OE1 no hydrogen 3.425 N/A GLY 62.A N CYS 52.A O no hydrogen 2.833 N/A LYS 63.A NZ ALA 64.A O no hydrogen 3.211 N/A LEU 65.A N ARG 57.A O no hydrogen 2.762 N/A THR 66.A OG1 ASP 68.A OD1 no hydrogen 2.808 N/A LEU 69.A N THR 66.A O no hydrogen 2.857 N/A THR 70.A N THR 66.A O no hydrogen 3.033 N/A THR 70.A OG1 THR 66.A O no hydrogen 3.404 N/A THR 70.A OG1 PRO 67.A O no hydrogen 3.146 N/A THR 70.A OG1 LEU 111.A O no hydrogen 2.759 N/A ARG 71.A N PRO 67.A O no hydrogen 2.856 N/A ARG 71.A NE LEU 112.A O no hydrogen 2.892 N/A ARG 71.A NH2 LEU 112.A O no hydrogen 2.921 N/A ARG 71.A NH2 ASP 114.A OD2 no hydrogen 3.152 N/A ASP 72.A N LEU 69.A O no hydrogen 3.199 N/A LEU 73.A N LEU 69.A O no hydrogen 3.245 N/A GLY 74.A N THR 70.A O no hydrogen 2.887 N/A LEU 78.A N GLY 74.A O no hydrogen 3.088 N/A GLN 79.A N PHE 75.A O no hydrogen 2.784 N/A GLN 79.A NE2 ASP 105.A OD1 no hydrogen 3.346 N/A SER 80.A N ASP 76.A O no hydrogen 3.103 N/A SER 80.A OG ASP 76.A O no hydrogen 3.155 N/A PHE 81.A N TYR 77.A O no hydrogen 2.921 N/A ILE 82.A N LEU 78.A O no hydrogen 2.848 N/A THR 83.A N GLN 79.A O no hydrogen 3.115 N/A THR 83.A OG1 GLN 79.A O no hydrogen 2.564 N/A TYR 84.A N PHE 81.A O no hydrogen 3.383 N/A ALA 85.A N ILE 82.A O no hydrogen 3.029 N/A SER 86.A N GLY 97.A O no hydrogen 3.028 N/A ALA 88.A N THR 3.A OG1 no hydrogen 2.943 N/A GLY 89.A N THR 95.A O no hydrogen 2.931 N/A ASN 92.A ND2 TRP 506.A O no hydrogen 3.149 N/A GLY 94.A N MET 90.A O no hydrogen 2.670 N/A GLY 97.A N THR 95.A OG1 no hydrogen 3.102 N/A GLU 98.A N SER 96.A OG no hydrogen 3.307 N/A SER 100.A N GLN 103.A OE1 no hydrogen 2.961 N/A GLN 103.A N SER 100.A OG no hydrogen 3.281 N/A VAL 104.A N SER 100.A O no hydrogen 2.941 N/A ASP 105.A N ALA 101.A O no hydrogen 3.215 N/A LEU 106.A N GLU 102.A O no hydrogen 3.099 N/A MET 107.A N GLN 103.A O no hydrogen 2.848 N/A ALA 108.A N VAL 104.A O no hydrogen 3.079 N/A ASN 109.A N ASP 105.A O no hydrogen 2.959 N/A TYR 110.A N LEU 106.A O no hydrogen 2.801 N/A LEU 111.A N MET 107.A O no hydrogen 3.081 N/A LEU 112.A N ASN 109.A O no hydrogen 2.967 N/A LEU 113.A N TYR 110.A O no hydrogen 3.049 N/A GLY 122.A N GLU 125.A OE1 no hydrogen 2.917 N/A LYS 124.A NZ GLU 125.A OE2 no hydrogen 3.082 N/A MET 126.A N GLY 122.A O no hydrogen 2.887 N/A ARG 127.A N MET 123.A O no hydrogen 2.799 N/A ARG 127.A NH2 GLU 261.A OE2 no hydrogen 2.996 N/A GLU 128.A N LYS 124.A O no hydrogen 3.078 N/A SER 129.A N GLU 125.A O no hydrogen 3.201 N/A SER 129.A OG MET 126.A O no hydrogen 2.750 N/A SER 129.A OG LYS 221.A O no hydrogen 3.470 N/A TRP 130.A N ARG 127.A O no hydrogen 3.273 N/A TRP 130.A NE1 THR 259.A O no hydrogen 2.846 N/A LYS 131.A N GLU 219.A O no hydrogen 2.948 N/A HIS 133.A NE2 GLU 219.A OE1 no hydrogen 2.848 N/A VAL 134.A N VAL 217.A O no hydrogen 2.998 N/A ASP 138.A N ALA 135.A O no hydrogen 2.854 N/A ARG 139.A N PRO 136.A O no hydrogen 3.078 N/A ARG 139.A NE VAL 134.A O no hydrogen 2.836 N/A ARG 139.A NH1 TYR 194.A OH no hydrogen 3.107 N/A ARG 139.A NH1 GLU 258.A O no hydrogen 2.768 N/A ARG 139.A NH2 VAL 134.A O no hydrogen 2.942 N/A ARG 139.A NH2 GLU 258.A O no hydrogen 2.860 N/A GLN 143.A NE2 ASN 145.A O no hydrogen 3.293 N/A GLN 143.A NE2 ASN 145.A OD1 no hydrogen 2.829 N/A GLN 143.A NE2 TRP 147.A O no hydrogen 2.758 N/A MET 144.A N TRP 210.A O no hydrogen 2.787 N/A ASN 145.A ND2 LEU 209.A O no hydrogen 2.719 N/A ASN 145.A ND2 MET 211.A O no hydrogen 2.837 N/A TRP 147.A N ASN 145.A OD1 no hydrogen 2.990 N/A ASN 151.A N ASP 148.A O no hydrogen 3.169 N/A LEU 152.A N LEU 149.A O no hydrogen 3.017 N/A PHE 153.A N ILE 166.A O no hydrogen 2.839 N/A SER 154.A N PHE 541.A O no hydrogen 2.880 N/A SER 154.A OG SER 186.A OG no hydrogen 2.769 N/A VAL 155.A N ALA 164.A O no hydrogen 2.821 N/A THR 156.A N GLY 539.A O no hydrogen 2.826 N/A LEU 157.A N GLN 162.A O no hydrogen 2.909 N/A ARG 158.A N THR 536.A O no hydrogen 3.102 N/A ARG 158.A NH1 ASP 159.A OD1 no hydrogen 2.989 N/A ASP 159.A N THR 536.A OG1 no hydrogen 2.872 N/A ALA 160.A N LEU 157.A O no hydrogen 3.195 N/A GLY 161.A N ARG 158.A O no hydrogen 3.251 N/A GLN 162.A N LEU 157.A O no hydrogen 3.503 N/A GLN 162.A NE2 ASP 178.A OD1 no hydrogen 3.317 N/A GLN 162.A NE2 ASP 178.A OD2 no hydrogen 3.285 N/A ILE 163.A N LEU 177.A O no hydrogen 2.972 N/A ALA 164.A N VAL 155.A O no hydrogen 2.804 N/A LEU 165.A N THR 175.A O no hydrogen 2.848 N/A ILE 166.A N PHE 153.A O no hydrogen 2.838 N/A ASP 167.A N GLU 172.A O no hydrogen 2.873 N/A SER 169.A N ASP 167.A OD1 no hydrogen 2.838 N/A SER 169.A OG ASP 167.A OD1 no hydrogen 2.798 N/A THR 170.A N ASP 167.A OD1 no hydrogen 2.959 N/A THR 170.A OG1 GLU 172.A OE1 no hydrogen 2.725 N/A TYR 171.A N ASP 167.A O no hydrogen 2.891 N/A TYR 171.A OH GLU 500.A OE1 no hydrogen 2.755 N/A GLU 172.A N THR 170.A OG1 no hydrogen 3.239 N/A LYS 174.A N LEU 165.A O no hydrogen 2.801 N/A LEU 177.A N ILE 163.A O no hydrogen 2.869 N/A THR 179.A N GLY 161.A O no hydrogen 2.804 N/A THR 179.A OG1 GLY 161.A O no hydrogen 3.067 N/A GLY 180.A N GLY 161.A O no hydrogen 3.113 N/A HIS 184.A N ILE 198.A O no hydrogen 2.741 N/A SER 186.A OG SER 154.A OG no hydrogen 2.769 N/A ARG 187.A N PHE 196.A O no hydrogen 2.898 N/A ARG 187.A NH1 SER 186.A O no hydrogen 2.803 N/A SER 189.A N TYR 194.A O no hydrogen 2.855 N/A SER 189.A OG SER 191.A OG no hydrogen 3.282 N/A SER 189.A OG ASP 239.A OD1 no hydrogen 2.883 N/A SER 191.A OG SER 189.A OG no hydrogen 3.282 N/A SER 191.A OG ASP 239.A OD1 no hydrogen 3.443 N/A SER 191.A OG ASP 239.A OD2 no hydrogen 2.623 N/A GLY 192.A N SER 189.A O no hydrogen 2.916 N/A ARG 193.A N SER 191.A OG no hydrogen 3.194 N/A ARG 193.A NE ASP 208.A OD1 no hydrogen 2.917 N/A ARG 193.A NH1 PRO 140.A O no hydrogen 3.428 N/A ARG 193.A NH2 PRO 140.A O no hydrogen 2.809 N/A ARG 193.A NH2 ASP 208.A OD2 no hydrogen 2.910 N/A TYR 194.A N SER 189.A OG no hydrogen 3.101 N/A LEU 195.A N ILE 207.A O no hydrogen 2.922 N/A PHE 196.A N ARG 187.A O no hydrogen 2.800 N/A VAL 197.A N ASN 205.A O no hydrogen 3.044 N/A ILE 198.A N ILE 185.A O no hydrogen 3.414 N/A GLY 199.A N LYS 203.A O no hydrogen 2.798 N/A ARG 200.A N ALA 182.A O no hydrogen 2.864 N/A ARG 200.A NH1 ASP 14.A OD1 no hydrogen 2.797 N/A ARG 200.A NH1 ASP 14.A OD2 no hydrogen 3.490 N/A ARG 200.A NH2 ASP 14.A OD1 no hydrogen 3.179 N/A ARG 200.A NH2 ASP 14.A OD2 no hydrogen 3.370 N/A GLY 202.A N GLY 199.A O no hydrogen 2.905 N/A LYS 203.A N ASP 201.A OD1 no hydrogen 3.240 N/A LYS 203.A NZ THR 179.A O no hydrogen 3.010 N/A VAL 204.A N ILE 220.A O no hydrogen 2.721 N/A ASN 205.A N VAL 197.A O no hydrogen 3.043 N/A MET 206.A N ALA 218.A O no hydrogen 2.842 N/A ILE 207.A N LEU 195.A O no hydrogen 2.809 N/A ASP 208.A N THR 215.A O no hydrogen 3.405 N/A LEU 209.A N ARG 193.A O no hydrogen 2.976 N/A TRP 210.A N ASP 208.A OD1 no hydrogen 2.950 N/A MET 211.A N ASP 208.A O no hydrogen 3.359 N/A THR 216.A OG1 ASN 205.A OD1 no hydrogen 3.014 N/A VAL 217.A N MET 206.A O no hydrogen 2.763 N/A ALA 218.A N MET 206.A O no hydrogen 3.479 N/A GLU 219.A N LYS 131.A O no hydrogen 2.903 N/A ILE 220.A N VAL 204.A O no hydrogen 3.019 N/A LYS 221.A N SER 129.A OG no hydrogen 2.878 N/A LYS 221.A NZ ASP 201.A O no hydrogen 2.665 N/A LYS 221.A NZ GLY 223.A O no hydrogen 3.024 N/A ILE 222.A N GLY 202.A O no hydrogen 2.898 N/A SER 224.A N TRP 248.A O no hydrogen 2.813 N/A GLU 225.A N TRP 248.A O no hydrogen 3.032 N/A ALA 226.A N ARG 200.A O no hydrogen 2.963 N/A ARG 227.A NH1 GLU 225.A OE1 no hydrogen 3.026 N/A ARG 227.A NH1 ALA 226.A O no hydrogen 2.889 N/A ARG 227.A NH2 GLU 225.A OE1 no hydrogen 2.959 N/A SER 228.A OG ALA 285.A O no hydrogen 2.745 N/A GLU 230.A N ILE 243.A O no hydrogen 2.953 N/A THR 231.A N GLU 230.A OE1 no hydrogen 2.885 N/A THR 231.A OG1 LEU 188.A O no hydrogen 2.673 N/A SER 232.A N TYR 241.A O no hydrogen 3.002 N/A SER 232.A OG TRP 237.A O no hydrogen 2.825 N/A SER 232.A OG TYR 241.A O no hydrogen 3.248 N/A LYS 233.A NZ GLU 230.A OE1 no hydrogen 3.312 N/A LYS 233.A NZ GLU 230.A OE2 no hydrogen 3.067 N/A LYS 233.A NZ THR 546.A O no hydrogen 2.975 N/A LYS 233.A NZ ASP 549.A OD1 no hydrogen 2.748 N/A GLY 236.A N GLU 238.A OE1 no hydrogen 3.058 N/A GLY 236.A N GLU 238.A OE2 no hydrogen 3.079 N/A TRP 237.A N MET 234.A O no hydrogen 2.852 N/A GLU 238.A N GLU 238.A OE1 no hydrogen 2.773 N/A LYS 240.A N TRP 237.A O no hydrogen 3.133 N/A TYR 241.A N SER 232.A OG no hydrogen 3.035 N/A ALA 242.A N MET 255.A O no hydrogen 2.964 N/A ILE 243.A N GLU 230.A O no hydrogen 2.856 N/A ALA 244.A N VAL 253.A O no hydrogen 2.907 N/A GLY 245.A N SER 228.A O no hydrogen 2.921 N/A ALA 246.A N GLN 251.A O no hydrogen 2.843 N/A TYR 247.A N GLU 225.A O no hydrogen 2.727 N/A TRP 248.A N GLU 225.A O no hydrogen 3.180 N/A TRP 248.A NE1 PRO 119.A O no hydrogen 3.010 N/A GLN 251.A NE2 PHE 121.A O no hydrogen 2.955 N/A GLN 251.A NE2 ILE 222.A O no hydrogen 3.089 N/A TYR 252.A N GLN 266.A O no hydrogen 2.952 N/A VAL 253.A N ALA 244.A O no hydrogen 2.821 N/A ILE 254.A N LYS 264.A O no hydrogen 2.782 N/A MET 255.A N ALA 242.A O no hydrogen 2.751 N/A ASP 256.A N GLU 261.A O no hydrogen 2.876 N/A GLY 257.A N LYS 240.A O no hydrogen 2.793 N/A GLU 258.A N ASP 256.A OD1 no hydrogen 2.846 N/A THR 259.A N ASP 256.A OD1 no hydrogen 3.001 N/A LEU 260.A N ASP 256.A O no hydrogen 2.865 N/A GLU 261.A N THR 259.A OG1 no hydrogen 3.114 N/A LYS 263.A N ILE 254.A O no hydrogen 2.844 N/A LYS 264.A N ILE 254.A O no hydrogen 3.161 N/A GLN 266.A N TYR 252.A O no hydrogen 2.875 N/A THR 268.A N PRO 250.A O no hydrogen 2.931 N/A THR 268.A OG1 PRO 282.A O no hydrogen 2.692 N/A ARG 269.A N SER 267.A OG no hydrogen 3.192 N/A ARG 269.A NH1 GLU 120.A OE1 no hydrogen 3.390 N/A ARG 269.A NH2 GLU 120.A OE2 no hydrogen 2.587 N/A GLY 270.A N HIS 279.A O no hydrogen 3.312 N/A THR 272.A N GLU 277.A O no hydrogen 2.900 N/A THR 272.A OG1 GLU 277.A O no hydrogen 3.446 N/A TYR 273.A N THR 303.A O no hydrogen 2.845 N/A TYR 273.A OH GLU 325.A OE1 no hydrogen 2.832 N/A GLU 275.A N ASP 274.A OD1 no hydrogen 2.797 N/A GLU 277.A N THR 272.A OG1 no hydrogen 3.030 N/A HIS 279.A N GLY 270.A O no hydrogen 2.703 N/A HIS 279.A NE2 GLY 59.A O no hydrogen 2.884 N/A GLU 281.A N HIS 279.A ND1 no hydrogen 3.084 N/A ARG 283.A N GLU 302.A OE1 no hydrogen 2.847 N/A ARG 283.A NH1 GLY 51.A O no hydrogen 2.855 N/A ARG 283.A NH2 ALA 50.A O no hydrogen 2.782 N/A ARG 283.A NH2 GLU 281.A OE2 no hydrogen 2.990 N/A VAL 284.A N ALA 246.A O no hydrogen 3.188 N/A ALA 285.A N ASN 299.A O no hydrogen 2.903 N/A ALA 286.A N HIS 329.A O no hydrogen 3.012 N/A LEU 288.A N ILE 297.A O no hydrogen 2.779 N/A SER 290.A N GLU 295.A O no hydrogen 2.948 N/A SER 290.A OG ARG 293.A O no hydrogen 3.341 N/A HIS 291.A NE2 ASP 549.A OD2 no hydrogen 2.829 N/A TYR 292.A N SER 290.A OG no hydrogen 3.040 N/A ARG 293.A N SER 290.A OG no hydrogen 3.032 N/A ARG 293.A NE GLU 295.A OE1 no hydrogen 3.002 N/A ARG 293.A NH2 GLU 295.A OE1 no hydrogen 3.213 N/A GLU 295.A N ARG 293.A O no hydrogen 2.748 N/A PHE 296.A N VAL 309.A O no hydrogen 2.858 N/A ILE 297.A N LEU 288.A O no hydrogen 2.708 N/A VAL 298.A N LEU 307.A O no hydrogen 2.801 N/A ASN 299.A N ALA 286.A O no hydrogen 3.059 N/A ASN 299.A ND2 HIS 329.A O no hydrogen 3.087 N/A ASN 299.A ND2 THR 342.A OG1 no hydrogen 2.927 N/A VAL 300.A N LYS 305.A O no hydrogen 2.841 N/A LYS 301.A N ARG 283.A O no hydrogen 2.894 N/A LYS 301.A NZ LEU 328.A O no hydrogen 2.880 N/A LYS 301.A NZ HIS 329.A ND1 no hydrogen 2.939 N/A GLU 302.A N GLU 302.A OE1 no hydrogen 2.750 N/A GLY 304.A N LYS 301.A O no hydrogen 3.191 N/A LYS 305.A N VAL 300.A O no hydrogen 3.245 N/A LYS 305.A NZ MET 271.A O no hydrogen 2.938 N/A LYS 305.A NZ GLU 321.A OE2 no hydrogen 2.866 N/A ILE 306.A N ILE 322.A O no hydrogen 2.966 N/A LEU 307.A N VAL 298.A O no hydrogen 2.795 N/A LEU 308.A N THR 320.A O no hydrogen 2.895 N/A VAL 309.A N PHE 296.A O no hydrogen 2.851 N/A ASP 310.A N LYS 318.A O no hydrogen 2.991 N/A TYR 311.A N PRO 294.A O no hydrogen 3.039 N/A THR 312.A N ASP 310.A OD1 no hydrogen 2.859 N/A THR 312.A OG1 ASP 310.A OD1 no hydrogen 2.549 N/A ASN 315.A N ASP 313.A OD1 no hydrogen 2.986 N/A ASN 316.A N ASP 313.A OD1 no hydrogen 2.982 N/A ASN 316.A ND2 ASP 313.A OD2 no hydrogen 2.948 N/A THR 320.A N LEU 308.A O no hydrogen 2.944 N/A ILE 322.A N ILE 306.A O no hydrogen 2.828 N/A ALA 324.A N GLY 304.A O no hydrogen 2.929 N/A ARG 326.A N GLU 325.A OE1 no hydrogen 2.888 N/A ARG 326.A NE GLU 302.A O no hydrogen 2.751 N/A ARG 326.A NH2 GLU 302.A O no hydrogen 3.079 N/A PHE 327.A N LYS 301.A O no hydrogen 2.844 N/A HIS 329.A N ALA 343.A O no hydrogen 2.916 N/A GLY 332.A N ILE 341.A O no hydrogen 2.887 N/A LEU 333.A N TYR 551.A OH no hydrogen 2.841 N/A ASP 334.A N TYR 339.A O no hydrogen 2.870 N/A SER 336.A N ASP 334.A OD2 no hydrogen 3.033 N/A SER 336.A OG ASP 334.A OD1 no hydrogen 3.101 N/A SER 336.A OG ASP 334.A OD2 no hydrogen 2.545 N/A HIS 337.A N ASP 334.A O no hydrogen 2.881 N/A HIS 337.A NE2 ASP 549.A O no hydrogen 2.788 N/A ARG 338.A N ASP 334.A OD1 no hydrogen 3.135 N/A ARG 338.A NE ASP 354.A OD1 no hydrogen 2.953 N/A ARG 338.A NH2 ASP 354.A OD2 no hydrogen 2.871 N/A TYR 339.A N ASP 334.A OD1 no hydrogen 2.836 N/A PHE 340.A N ILE 353.A O no hydrogen 2.867 N/A ILE 341.A N GLY 332.A O no hydrogen 2.773 N/A THR 342.A N VAL 351.A O no hydrogen 2.839 N/A THR 342.A OG1 ASP 330.A O no hydrogen 2.727 N/A ALA 343.A N ASP 330.A O no hydrogen 2.897 N/A ALA 344.A N LYS 349.A O no hydrogen 2.861 N/A ARG 347.A N ALA 344.A O no hydrogen 3.137 N/A ARG 347.A NH1 ASP 274.A OD2 no hydrogen 3.091 N/A ARG 347.A NH1 GLU 325.A OE1 no hydrogen 2.730 N/A ASN 348.A N ASN 345.A O no hydrogen 3.033 N/A LYS 349.A N ALA 344.A O no hydrogen 3.300 N/A LYS 349.A NZ ARG 347.A O no hydrogen 3.102 N/A LYS 349.A NZ ASP 365.A OD2 no hydrogen 2.990 N/A LEU 350.A N GLU 364.A O no hydrogen 2.842 N/A VAL 351.A N THR 342.A O no hydrogen 2.759 N/A VAL 352.A N ALA 362.A O no hydrogen 2.830 N/A ILE 353.A N PHE 340.A O no hydrogen 2.822 N/A ASP 354.A N LYS 359.A O no hydrogen 2.890 N/A THR 355.A N ARG 338.A O no hydrogen 2.882 N/A THR 355.A OG1 ARG 338.A O no hydrogen 2.677 N/A LYS 356.A N ASP 354.A OD1 no hydrogen 2.929 N/A GLU 357.A N ASP 354.A OD1 no hydrogen 3.375 N/A GLY 358.A N ASP 354.A O no hydrogen 2.801 N/A LYS 359.A N ASP 354.A O no hydrogen 3.258 N/A LYS 359.A NZ GLU 357.A O no hydrogen 3.152 N/A VAL 361.A N VAL 352.A O no hydrogen 2.778 N/A ALA 362.A N VAL 352.A O no hydrogen 3.405 N/A GLU 364.A N LEU 350.A O no hydrogen 2.951 N/A THR 366.A N ASN 348.A O no hydrogen 3.013 N/A THR 366.A OG1 HIS 392.A NE2 no hydrogen 2.846 N/A GLY 367.A N ASP 365.A OD1 no hydrogen 2.855 N/A GLY 368.A N THR 366.A OG1 no hydrogen 3.028 N/A GLN 369.A N ASP 395.A OD2 no hydrogen 2.909 N/A THR 370.A N ASN 348.A OD1 no hydrogen 2.825 N/A THR 370.A OG1 ASP 6.A OD2 no hydrogen 2.644 N/A HIS 372.A N SER 391.A O no hydrogen 3.034 N/A HIS 372.A ND1 LEU 427.A O no hydrogen 2.652 N/A GLY 374.A N ASP 330.A OD2 no hydrogen 2.855 N/A GLY 376.A N PRO 373.A O no hydrogen 2.877 N/A ALA 377.A N ALA 389.A O no hydrogen 3.202 N/A ASN 378.A N TYR 551.A O no hydrogen 2.856 N/A ASN 378.A ND2 LEU 333.A O no hydrogen 2.923 N/A ASN 378.A ND2 TYR 551.A OXT no hydrogen 2.917 N/A PHE 379.A N VAL 387.A O no hydrogen 2.992 N/A HIS 381.A N GLY 385.A O no hydrogen 2.859 N/A THR 383.A N HIS 381.A ND1 no hydrogen 3.026 N/A THR 383.A OG1 THR 463.A O no hydrogen 2.680 N/A PHE 384.A N HIS 381.A ND1 no hydrogen 3.111 N/A GLY 385.A N HIS 381.A O no hydrogen 2.898 N/A VAL 387.A N PHE 379.A O no hydrogen 2.891 N/A TRP 388.A N ILE 401.A O no hydrogen 3.024 N/A TRP 388.A NE1 ARG 375.A O no hydrogen 3.106 N/A ALA 389.A N ALA 377.A O no hydrogen 2.719 N/A THR 390.A N ALA 399.A O no hydrogen 3.075 N/A THR 390.A OG1 SER 391.A O no hydrogen 2.945 N/A SER 391.A OG SER 426.A OG no hydrogen 2.566 N/A HIS 392.A ND1 SER 397.A O no hydrogen 2.773 N/A HIS 392.A NE2 THR 366.A OG1 no hydrogen 2.846 N/A MET 393.A N THR 370.A O no hydrogen 2.892 N/A GLY 394.A N GLN 369.A O no hydrogen 2.835 N/A SER 397.A N ASP 395.A OD1 no hydrogen 2.928 N/A SER 397.A OG ASP 395.A OD1 no hydrogen 2.693 N/A VAL 398.A N PHE 419.A O no hydrogen 2.739 N/A ALA 399.A N THR 390.A O no hydrogen 2.895 N/A LEU 400.A N ASP 417.A O no hydrogen 3.117 N/A ILE 401.A N TRP 388.A O no hydrogen 2.964 N/A GLY 402.A N LYS 414.A O no hydrogen 3.174 N/A THR 403.A N PRO 386.A O no hydrogen 3.050 N/A GLY 407.A N ASP 404.A OD1 no hydrogen 3.007 N/A HIS 408.A N ASP 404.A O no hydrogen 2.813 N/A HIS 408.A ND1 ASP 404.A OD2 no hydrogen 2.889 N/A ASN 411.A N HIS 408.A O no hydrogen 3.048 N/A ASN 411.A ND2 PHE 384.A O no hydrogen 3.066 N/A ALA 412.A N PRO 409.A O no hydrogen 3.370 N/A TRP 413.A N GLY 402.A O no hydrogen 2.765 N/A LYS 414.A N ASN 411.A O no hydrogen 3.330 N/A LYS 414.A NZ ASP 410.A O no hydrogen 2.847 N/A LEU 416.A N LEU 400.A O no hydrogen 2.840 N/A SER 418.A N ASP 417.A OD1 no hydrogen 2.798 N/A PHE 419.A N VAL 398.A O no hydrogen 3.019 N/A ALA 421.A N ASP 396.A O no hydrogen 2.711 N/A GLY 425.A N MET 393.A O no hydrogen 2.837 N/A SER 426.A N HIS 392.A O no hydrogen 3.223 N/A SER 426.A OG SER 391.A OG no hydrogen 2.566 N/A SER 426.A OG ASP 441.A O no hydrogen 2.751 N/A SER 426.A OG ASP 441.A OD1 no hydrogen 3.512 N/A LEU 427.A N ASP 441.A OD1 no hydrogen 2.910 N/A PHE 428.A N ASP 441.A OD1 no hydrogen 2.915 N/A LYS 430.A N TYR 439.A O no hydrogen 2.774 N/A LYS 430.A NZ GLU 493.A OE1 no hydrogen 3.452 N/A THR 431.A OG1 TYR 437.A O no hydrogen 2.785 N/A HIS 432.A N THR 431.A OG1 no hydrogen 2.836 N/A ASN 434.A N HIS 432.A ND1 no hydrogen 3.073 N/A ASN 434.A ND2 ASP 497.A O no hydrogen 2.765 N/A SER 435.A N HIS 432.A O no hydrogen 2.903 N/A SER 435.A OG TYR 437.A O no hydrogen 3.429 N/A SER 435.A OG ASP 520.A OD1 no hydrogen 2.675 N/A SER 435.A OG ASP 520.A OD2 no hydrogen 3.166 N/A GLN 436.A NE2 ASP 458.A OD1 no hydrogen 2.874 N/A TYR 437.A N SER 435.A OG no hydrogen 2.917 N/A LEU 438.A N PHE 457.A O no hydrogen 2.893 N/A TYR 439.A N LYS 430.A O no hydrogen 2.846 N/A TYR 439.A OH ASP 520.A OD1 no hydrogen 2.711 N/A VAL 440.A N ALA 455.A O no hydrogen 2.810 N/A ASP 441.A N PHE 428.A O no hydrogen 3.186 N/A THR 443.A OG1 VAL 489.A O no hydrogen 2.796 N/A LEU 444.A N GLY 425.A O no hydrogen 2.775 N/A ASN 445.A N ALA 442.A O no hydrogen 2.998 N/A ASN 445.A ND2 GLY 424.A O no hydrogen 2.888 N/A GLU 447.A N ASN 445.A OD1 no hydrogen 2.957 N/A SER 451.A N GLU 447.A O no hydrogen 2.938 N/A SER 451.A OG GLU 447.A O no hydrogen 3.281 N/A SER 451.A OG ALA 448.A O no hydrogen 3.141 N/A GLY 452.A N ALA 448.A O no hydrogen 2.995 N/A SER 453.A N ILE 450.A O no hydrogen 3.031 N/A SER 453.A OG GLU 449.A O no hydrogen 2.904 N/A VAL 454.A N LEU 474.A O no hydrogen 3.028 N/A ALA 455.A N VAL 440.A O no hydrogen 2.875 N/A VAL 456.A N LYS 472.A O no hydrogen 2.836 N/A PHE 457.A N LEU 438.A O no hydrogen 2.846 N/A ILE 459.A N GLN 436.A O no hydrogen 2.783 N/A LYS 460.A N ASP 458.A OD1 no hydrogen 3.066 N/A ALA 461.A N ASP 458.A O no hydrogen 3.129 N/A MET 462.A N ILE 459.A O no hydrogen 2.987 N/A ASP 465.A N THR 463.A OG1 no hydrogen 3.228 N/A SER 467.A N ASP 465.A OD1 no hydrogen 3.092 N/A SER 467.A OG ASP 465.A OD1 no hydrogen 2.641 N/A LYS 472.A N VAL 456.A O no hydrogen 2.902 N/A LEU 474.A N VAL 454.A O no hydrogen 2.824 N/A ILE 476.A N LEU 474.A O no hydrogen 2.885 N/A ALA 477.A N GLY 452.A O no hydrogen 2.879 N/A TRP 479.A N PRO 475.A O no hydrogen 2.902 N/A ALA 480.A N ILE 476.A O no hydrogen 3.085 N/A ALA 480.A N ALA 477.A O no hydrogen 3.036 N/A GLY 481.A N GLU 478.A O no hydrogen 2.961 N/A ARG 488.A N TRP 506.A O no hydrogen 2.894 N/A ARG 488.A NH1 THR 443.A O no hydrogen 2.745 N/A ARG 488.A NH1 ASN 445.A O no hydrogen 2.872 N/A VAL 489.A N SER 451.A O no hydrogen 2.921 N/A VAL 490.A N SER 504.A O no hydrogen 2.925 N/A GLN 491.A N ASP 441.A OD2 no hydrogen 2.896 N/A GLN 491.A NE2 LYS 540.A O no hydrogen 3.045 N/A GLU 493.A N TRP 502.A O no hydrogen 3.010 N/A ASN 495.A N GLU 500.A O no hydrogen 3.058 N/A ASN 495.A ND2 THR 499.A OG1 no hydrogen 3.028 N/A LYS 496.A N ASN 151.A OD1 no hydrogen 3.079 N/A LYS 496.A NZ GLU 150.A OE1 no hydrogen 2.865 N/A GLY 498.A N ASN 495.A O no hydrogen 3.062 N/A THR 499.A N ASN 495.A OD1 no hydrogen 2.913 N/A GLU 500.A N ASN 495.A OD1 no hydrogen 3.198 N/A VAL 501.A N VAL 518.A O no hydrogen 2.993 N/A TRP 502.A N GLU 493.A O no hydrogen 2.756 N/A PHE 503.A N VAL 516.A O no hydrogen 2.894 N/A SER 504.A N VAL 490.A O no hydrogen 3.071 N/A SER 504.A OG THR 538.A O no hydrogen 2.634 N/A VAL 505.A N ALA 514.A O no hydrogen 2.754 N/A TRP 506.A N ARG 488.A O no hydrogen 2.796 N/A ASN 507.A N SER 513.A OG no hydrogen 3.000 N/A ASN 507.A ND2 GLU 484.A O no hydrogen 3.165 N/A ASN 507.A ND2 GLU 512.A O no hydrogen 2.939 N/A GLN 511.A N GLY 508.A O no hydrogen 2.957 N/A GLU 512.A N GLU 484.A OE1 no hydrogen 3.334 N/A GLU 512.A N GLU 484.A OE2 no hydrogen 3.202 N/A ALA 514.A N VAL 505.A O no hydrogen 3.139 N/A LEU 515.A N ILE 529.A O no hydrogen 2.999 N/A VAL 516.A N PHE 503.A O no hydrogen 2.850 N/A VAL 517.A N HIS 527.A O no hydrogen 2.786 N/A VAL 518.A N VAL 501.A O no hydrogen 2.791 N/A ASP 519.A N GLU 524.A O no hydrogen 2.913 N/A ASP 520.A N THR 499.A O no hydrogen 2.973 N/A LYS 521.A N ASP 519.A OD1 no hydrogen 3.229 N/A LYS 521.A NZ ASN 434.A O no hydrogen 3.082 N/A LEU 523.A N ASP 519.A O no hydrogen 2.733 N/A GLU 524.A N THR 522.A OG1 no hydrogen 3.350 N/A LYS 526.A N VAL 517.A O no hydrogen 2.836 N/A LYS 526.A NZ TYR 171.A OH no hydrogen 2.823 N/A LYS 526.A NZ GLU 500.A OE2 no hydrogen 3.080 N/A HIS 527.A N VAL 517.A O no hydrogen 3.163 N/A ILE 529.A N LEU 515.A O no hydrogen 2.768 N/A LYS 530.A NZ ALA 480.A O no hydrogen 2.849 N/A LYS 530.A NZ GLY 481.A O no hydrogen 3.083 N/A LYS 530.A NZ GLU 512.A OE2 no hydrogen 2.905 N/A ARG 533.A N ASP 531.A OD1 no hydrogen 2.908 N/A ARG 533.A NE ASP 531.A OD1 no hydrogen 2.953 N/A ARG 533.A NH2 ASP 531.A OD2 no hydrogen 3.043 N/A LEU 534.A N ASP 531.A O no hydrogen 2.853 N/A VAL 535.A N ARG 533.A O no hydrogen 2.791 N/A THR 538.A N THR 156.A O no hydrogen 3.136 N/A LYS 540.A N GLN 491.A OE1 no hydrogen 2.812 N/A LYS 540.A NZ VAL 490.A O no hydrogen 3.171 N/A LYS 540.A NZ GLN 491.A O no hydrogen 2.707 N/A LYS 540.A NZ GLN 491.A OE1 no hydrogen 2.973 N/A LYS 540.A NZ SER 504.A OG no hydrogen 2.800 N/A LYS 540.A NZ THR 538.A O no hydrogen 3.286 N/A PHE 541.A N SER 154.A O no hydrogen 3.020 N/A ASN 542.A N GLU 493.A OE2 no hydrogen 2.804 N/A ASN 542.A ND2 GLU 150.A O no hydrogen 3.482 N/A ASN 542.A ND2 ASN 151.A OD1 no hydrogen 3.592 N/A VAL 543.A N LEU 152.A O no hydrogen 2.858 N/A TYR 544.A N GLU 150.A O no hydrogen 3.028 N/A ASN 545.A N ASN 542.A OD1 no hydrogen 2.930 N/A ASN 545.A ND2 PHE 494.A O no hydrogen 2.914 N/A ASN 545.A ND2 ASN 495.A O no hydrogen 2.999 N/A THR 546.A N ASN 542.A O no hydrogen 3.026 N/A THR 546.A OG1 ASN 542.A O no hydrogen 2.783 N/A MET 547.A N VAL 543.A O no hydrogen 2.901 N/A THR 548.A N TYR 544.A O no hydrogen 3.025 N/A THR 548.A OG1 TYR 544.A O no hydrogen 2.705 N/A THR 548.A OG1 THR 550.A OG1 no hydrogen 2.680 N/A ASP 549.A N THR 546.A O no hydrogen 3.408 N/A THR 550.A N ASN 545.A O no hydrogen 2.883 N/A THR 550.A OG1 THR 548.A OG1 no hydrogen 2.680 N/A