Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wqb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A N LEU 25.A O no hydrogen 2.786 N/A ASN 1.A N GLY 27.A O no hydrogen 2.767 N/A GLY 3.A N ASN 1.A OD1 no hydrogen 2.778 N/A CYS 4.A N ASN 1.A O no hydrogen 3.008 N/A LEU 7.A N ARG 64.A O no hydrogen 2.790 N/A THR 8.A N GLU 11.A OE2 no hydrogen 2.784 N/A GLY 9.A N GLU 11.A OE1 no hydrogen 2.973 N/A LYS 10.A N THR 8.A OG1 no hydrogen 3.030 N/A GLU 11.A N GLU 11.A OE1 no hydrogen 2.892 N/A GLY 17.A N ASP 15.A OD1 no hydrogen 2.809 N/A ARG 18.A NE THR 370.A OG1 no hydrogen 3.100 N/A ARG 18.A NH1 GLY 54.A O no hydrogen 2.925 N/A ARG 18.A NH1 ASP 56.A O no hydrogen 2.750 N/A ARG 18.A NH2 THR 370.A OG1 no hydrogen 2.803 N/A ARG 18.A NH2 ILE 417.A O no hydrogen 2.936 N/A SER 20.A N GLY 17.A O no hydrogen 3.425 N/A SER 20.A OG ASP 15.A O no hydrogen 2.668 N/A GLU 22.A N SER 20.A OG no hydrogen 3.031 N/A ARG 23.A N SER 20.A O no hydrogen 3.189 N/A ARG 23.A NH2 ASN 40.A O no hydrogen 2.752 N/A ARG 23.A NH2 ASP 56.A OD2 no hydrogen 2.808 N/A CYS 24.A SG GLU 22.A O no hydrogen 3.916 N/A ASN 29.A N GLN 32.A OE1 no hydrogen 3.301 N/A ASN 29.A ND2 GLN 32.A OE1 no hydrogen 2.930 N/A ASN 29.A ND2 ASP 127.A OD1 no hydrogen 2.804 N/A LEU 31.A N GLY 131.A O no hydrogen 2.929 N/A GLN 32.A N ASN 29.A O no hydrogen 3.104 N/A GLN 32.A NE2 PRO 26.A O no hydrogen 2.989 N/A GLN 34.A N LEU 31.A O no hydrogen 2.910 N/A GLN 34.A NE2 ASP 44.A OD1 no hydrogen 2.974 N/A GLN 35.A N GLN 32.A O no hydrogen 3.125 N/A GLN 35.A NE2 TYR 37.A OH no hydrogen 2.920 N/A GLN 35.A NE2 LYS 133.A O no hydrogen 2.796 N/A TRP 36.A NE1 ALA 292.A O no hydrogen 2.756 N/A TYR 37.A OH VAL 294.A O no hydrogen 2.657 N/A LEU 38.A N GLN 35.A O no hydrogen 3.032 N/A LEU 39.A N GLN 35.A O no hydrogen 3.464 N/A ASN 40.A N ASP 56.A OD2 no hydrogen 2.730 N/A ASN 40.A ND2 ASN 55.A O no hydrogen 2.891 N/A ASN 40.A ND2 ALA 263.A O no hydrogen 3.098 N/A SER 41.A N GLN 43.A OE1 no hydrogen 2.775 N/A GLY 42.A N ASN 40.A OD1 no hydrogen 2.846 N/A GLN 43.A N GLN 43.A OE1 no hydrogen 2.825 N/A GLN 43.A NE2 ASP 33.A O no hydrogen 2.873 N/A GLN 43.A NE2 LEU 39.A O no hydrogen 2.933 N/A GLY 45.A N GLN 34.A OE1 no hydrogen 2.781 N/A PHE 46.A N ASP 44.A OD1 no hydrogen 2.864 N/A SER 47.A N ASP 44.A O no hydrogen 2.923 N/A SER 47.A OG ASP 44.A O no hydrogen 2.770 N/A ALA 48.A N THR 288.A O no hydrogen 2.920 N/A ARG 49.A NH1 GLY 50.A O no hydrogen 2.764 N/A ARG 49.A NH1 ASP 264.A OD1 no hydrogen 2.937 N/A ARG 49.A NH1 ASP 264.A OD2 no hydrogen 3.561 N/A ARG 49.A NH2 ASP 264.A OD2 no hydrogen 2.899 N/A ILE 52.A N ALA 263.A O no hydrogen 2.892 N/A GLY 54.A N ASN 40.A O no hydrogen 2.855 N/A LEU 57.A N TYR 37.A O no hydrogen 3.050 N/A ASN 58.A N ASP 56.A OD1 no hydrogen 2.852 N/A ASN 58.A ND2 ILE 16.A O no hydrogen 3.008 N/A ASN 58.A ND2 ASP 418.A OD1 no hydrogen 2.793 N/A TRP 60.A NE1 GLY 17.A O no hydrogen 3.119 N/A TRP 61.A N ASN 420.A OD1 no hydrogen 2.996 N/A ALA 62.A N ASN 420.A OD1 no hydrogen 3.355 N/A HIS 63.A N LEU 59.A O no hydrogen 3.084 N/A HIS 63.A NE2 ILE 135.A O no hydrogen 2.809 N/A ARG 64.A N TRP 60.A O no hydrogen 2.840 N/A ARG 64.A NE ALA 5.A O no hydrogen 2.865 N/A ARG 64.A NH1 GLU 22.A O no hydrogen 2.788 N/A ARG 64.A NH1 GLU 22.A OE1 no hydrogen 2.874 N/A ARG 64.A NH2 ALA 5.A O no hydrogen 2.826 N/A THR 65.A N TRP 61.A O no hydrogen 2.982 N/A THR 65.A N ALA 62.A O no hydrogen 3.173 N/A THR 65.A OG1 TRP 61.A O no hydrogen 2.860 N/A THR 65.A OG1 ALA 62.A O no hydrogen 3.347 N/A GLY 66.A N HIS 63.A O no hydrogen 3.365 N/A VAL 67.A N ALA 62.A O no hydrogen 2.863 N/A LEU 68.A N GLN 70.A OE1 no hydrogen 2.943 N/A GLY 69.A N SER 351.A OG no hydrogen 3.053 N/A GLN 70.A N GLN 70.A OE1 no hydrogen 2.815 N/A GLN 70.A NE2 GLY 66.A O no hydrogen 3.092 N/A VAL 72.A N GLY 69.A O no hydrogen 3.102 N/A ASN 73.A ND2 ASP 170.A O no hydrogen 3.234 N/A VAL 74.A N GLN 140.A O no hydrogen 2.780 N/A ALA 75.A N VAL 173.A O no hydrogen 2.871 N/A VAL 76.A N GLN 142.A O no hydrogen 2.825 N/A VAL 77.A N ASN 175.A O no hydrogen 3.199 N/A ASP 78.A N PHE 144.A O no hydrogen 2.985 N/A ASP 79.A N ASP 78.A OD1 no hydrogen 2.739 N/A LEU 81.A N PRO 106.A O no hydrogen 3.006 N/A ALA 82.A N THR 117.A OG1 no hydrogen 2.933 N/A HIS 85.A N ALA 82.A O no hydrogen 3.002 N/A HIS 85.A NE2 ASP 327.A O no hydrogen 2.755 N/A ASP 87.A N HIS 85.A ND1 no hydrogen 2.914 N/A LEU 88.A N HIS 85.A O no hydrogen 3.001 N/A ALA 89.A N HIS 85.A O no hydrogen 2.867 N/A ASN 91.A N LEU 88.A O no hydrogen 2.841 N/A ASN 91.A ND2 ALA 124.A O no hydrogen 2.850 N/A ASN 91.A ND2 PRO 137.A O no hydrogen 2.819 N/A VAL 92.A N ALA 89.A O no hydrogen 3.039 N/A ARG 93.A N LEU 141.A O no hydrogen 2.946 N/A ARG 93.A NH1 ASP 170.A OD1 no hydrogen 3.242 N/A ARG 93.A NH1 ASP 170.A OD2 no hydrogen 3.023 N/A ARG 93.A NH2 ASP 170.A OD1 no hydrogen 2.855 N/A ARG 93.A NH2 ASN 171.A OD1 no hydrogen 3.130 N/A LYS 97.A N GLY 143.A O no hydrogen 3.137 N/A ASN 98.A N SER 103.A O no hydrogen 2.817 N/A ASN 98.A ND2 ASP 105.A O no hydrogen 3.030 N/A VAL 99.A N ASN 145.A OD1 no hydrogen 2.765 N/A VAL 100.A N ASN 98.A OD1 no hydrogen 3.007 N/A THR 101.A N ASN 98.A OD1 no hydrogen 3.080 N/A THR 101.A OG1 SER 103.A OG no hydrogen 3.250 N/A GLY 102.A N ASN 98.A O no hydrogen 2.757 N/A SER 103.A N THR 101.A OG1 no hydrogen 3.253 N/A SER 103.A OG THR 101.A OG1 no hydrogen 3.250 N/A ASP 105.A N SER 103.A OG no hydrogen 2.996 N/A THR 107.A N ASP 105.A OD1 no hydrogen 2.962 N/A THR 107.A OG1 LEU 81.A O no hydrogen 3.508 N/A THR 107.A OG1 ASP 105.A OD1 no hydrogen 2.590 N/A ASP 112.A N ASP 110.A OD2 no hydrogen 3.207 N/A THR 113.A N ASP 110.A O no hydrogen 3.033 N/A THR 113.A OG1 ASP 110.A OD2 no hydrogen 2.714 N/A HIS 115.A N ASP 79.A OD2 no hydrogen 3.030 N/A HIS 115.A ND1 ASP 78.A OD1 no hydrogen 2.653 N/A GLY 116.A N ASP 79.A OD1 no hydrogen 2.727 N/A SER 118.A N ALA 114.A O no hydrogen 2.977 N/A SER 118.A OG ALA 114.A O no hydrogen 2.914 N/A SER 118.A OG THR 296.A O no hydrogen 3.385 N/A VAL 119.A N HIS 115.A O no hydrogen 2.885 N/A SER 120.A N GLY 116.A O no hydrogen 2.919 N/A SER 120.A OG GLY 116.A O no hydrogen 2.815 N/A GLY 121.A N THR 117.A O no hydrogen 3.134 N/A ILE 122.A N SER 118.A O no hydrogen 3.325 N/A ILE 123.A N VAL 119.A O no hydrogen 3.318 N/A ALA 124.A N SER 120.A O no hydrogen 2.877 N/A ALA 125.A N GLY 121.A O no hydrogen 3.063 N/A VAL 126.A N ASP 87.A O no hydrogen 2.840 N/A ASN 128.A N ASN 29.A OD1 no hydrogen 2.985 N/A ASN 128.A ND2 ASP 87.A OD1 no hydrogen 2.936 N/A ILE 130.A N ASN 128.A OD1 no hydrogen 3.121 N/A THR 132.A N ASP 87.A OD2 no hydrogen 3.018 N/A LYS 133.A N GLN 35.A OE1 no hydrogen 2.802 N/A LYS 133.A NZ PRO 26.A O no hydrogen 2.867 N/A LYS 133.A NZ HIS 63.A ND1 no hydrogen 2.911 N/A GLY 134.A N ALA 125.A O no hydrogen 2.863 N/A ILE 135.A N ILE 122.A O no hydrogen 3.039 N/A ALA 136.A N ILE 123.A O no hydrogen 2.796 N/A ARG 138.A N LEU 68.A O no hydrogen 2.855 N/A ALA 139.A N ALA 136.A O no hydrogen 2.972 N/A GLN 140.A N VAL 72.A O no hydrogen 2.919 N/A LEU 141.A N ASN 91.A O no hydrogen 2.712 N/A GLN 142.A N VAL 74.A O no hydrogen 3.022 N/A GLN 142.A NE2 PRO 94.A O no hydrogen 2.922 N/A GLN 142.A NE2 ALA 167.A O no hydrogen 2.895 N/A GLY 143.A N SER 96.A OG no hydrogen 2.827 N/A PHE 144.A N VAL 76.A O no hydrogen 3.034 N/A ASN 145.A ND2 ASN 98.A OD1 no hydrogen 3.039 N/A LEU 146.A N PHE 144.A O no hydrogen 2.942 N/A LEU 147.A N ASP 78.A O no hydrogen 2.868 N/A ASP 148.A N ASN 145.A O no hydrogen 3.101 N/A ASN 150.A N ASP 148.A OD1 no hydrogen 2.778 N/A SER 151.A N ASP 148.A O no hydrogen 2.895 N/A SER 151.A OG LEU 146.A O no hydrogen 2.740 N/A GLN 153.A N SER 151.A OG no hydrogen 3.129 N/A GLN 155.A NE2 ASP 192.A O no hydrogen 3.053 N/A GLN 155.A NE2 GLN 195.A OE1 no hydrogen 2.873 N/A ASP 157.A N LEU 154.A O no hydrogen 2.911 N/A TRP 158.A N LEU 154.A O no hydrogen 2.971 N/A LEU 159.A N GLN 155.A O no hydrogen 2.973 N/A TYR 160.A N LYS 156.A O no hydrogen 3.044 N/A ALA 161.A N ASP 157.A O no hydrogen 3.044 N/A ALA 161.A N TRP 158.A O no hydrogen 3.252 N/A LEU 162.A N TRP 158.A O no hydrogen 2.982 N/A LEU 162.A N LEU 159.A O no hydrogen 3.381 N/A GLY 163.A N SER 168.A OG no hydrogen 2.896 N/A ASP 164.A N LEU 159.A O no hydrogen 3.013 N/A SER 165.A OG TYR 160.A O no hydrogen 2.755 N/A SER 165.A OG SER 168.A OG no hydrogen 3.280 N/A SER 168.A N SER 165.A O no hydrogen 3.264 N/A SER 168.A N SER 165.A OG no hydrogen 3.109 N/A SER 168.A OG TYR 160.A O no hydrogen 2.631 N/A SER 168.A OG SER 165.A OG no hydrogen 3.280 N/A ARG 169.A N SER 165.A O no hydrogen 2.955 N/A ARG 169.A NE ASN 166.A OD1 no hydrogen 3.105 N/A ARG 169.A NH2 ASN 166.A OD1 no hydrogen 3.075 N/A ASN 171.A N SER 168.A O no hydrogen 3.266 N/A ASN 171.A ND2 GLN 142.A OE1 no hydrogen 2.812 N/A ASN 171.A ND2 SER 168.A O no hydrogen 2.968 N/A ARG 172.A N ASN 73.A O no hydrogen 2.845 N/A ARG 172.A NE GLY 209.A O no hydrogen 2.869 N/A ARG 172.A NH2 GLY 209.A O no hydrogen 3.027 N/A ARG 172.A NH2 LEU 356.A O no hydrogen 3.204 N/A VAL 173.A N ASN 73.A O no hydrogen 3.171 N/A PHE 174.A N ALA 211.A O no hydrogen 2.903 N/A ASN 175.A N ALA 75.A O no hydrogen 2.810 N/A ASN 175.A ND2 SER 177.A OG no hydrogen 3.008 N/A GLN 176.A N ILE 213.A O no hydrogen 2.931 N/A GLN 176.A NE2 ILE 213.A O no hydrogen 3.280 N/A GLN 176.A NE2 ASN 255.A OD1 no hydrogen 2.782 N/A SER 177.A OG ALA 336.A O no hydrogen 2.804 N/A MET 180.A N ASP 247.A OD2 no hydrogen 2.898 N/A SER 181.A OG GLU 242.A OE1 no hydrogen 2.688 N/A ASN 189.A N SER 187.A OG no hydrogen 3.121 N/A SER 190.A OG ASP 192.A OD1 no hydrogen 2.576 N/A GLN 193.A NE2 SER 187.A O no hydrogen 2.973 N/A GLN 193.A NE2 SER 190.A OG no hydrogen 2.758 N/A SER 194.A N SER 190.A O no hydrogen 2.903 N/A GLN 195.A N LEU 191.A O no hydrogen 2.898 N/A LEU 196.A N ASP 192.A O no hydrogen 3.260 N/A ASP 197.A N GLN 193.A O no hydrogen 2.836 N/A ARG 198.A N SER 194.A O no hydrogen 2.903 N/A LEU 199.A N GLN 195.A O no hydrogen 3.083 N/A PHE 200.A N LEU 196.A O no hydrogen 2.829 N/A GLU 201.A N ASP 197.A O no hydrogen 2.911 N/A GLN 202.A N ARG 198.A O no hydrogen 3.045 N/A GLN 203.A N LEU 199.A O no hydrogen 2.912 N/A GLN 203.A NE2 ARG 169.A O no hydrogen 2.969 N/A THR 204.A N PHE 200.A O no hydrogen 2.852 N/A THR 204.A OG1 PHE 200.A O no hydrogen 2.796 N/A THR 204.A OG1 ALA 210.A O no hydrogen 3.317 N/A LEU 205.A N GLU 201.A O no hydrogen 3.011 N/A LYS 206.A NZ ARG 169.A O no hydrogen 2.912 N/A LYS 206.A NZ GLN 203.A OE1 no hydrogen 2.965 N/A ALA 210.A N GLN 203.A O no hydrogen 2.824 N/A ALA 211.A N ARG 172.A O no hydrogen 2.808 N/A TYR 212.A OH LEU 162.A O no hydrogen 2.699 N/A ILE 213.A N PHE 174.A O no hydrogen 2.949 N/A LYS 214.A N LEU 256.A O no hydrogen 2.879 N/A LYS 214.A NZ TYR 178.A O no hydrogen 2.845 N/A LYS 214.A NZ ALA 215.A O no hydrogen 3.487 N/A LYS 214.A NZ ASP 247.A OD2 no hydrogen 3.461 N/A LYS 214.A NZ ASN 250.A OD1 no hydrogen 2.817 N/A ALA 215.A N GLN 176.A O no hydrogen 3.064 N/A ALA 216.A N VAL 258.A O no hydrogen 3.027 N/A GLY 217.A N THR 335.A OG1 no hydrogen 3.064 N/A GLY 219.A N SER 272.A OG no hydrogen 2.929 N/A PHE 220.A N TYR 270.A O no hydrogen 2.894 N/A ILE 223.A N LEU 230.A O no hydrogen 3.016 N/A ALA 225.A N TYR 228.A O no hydrogen 2.903 N/A TYR 228.A N ALA 225.A O no hydrogen 3.042 N/A VAL 229.A N LEU 564.A O no hydrogen 2.908 N/A LEU 230.A N ILE 223.A O no hydrogen 2.849 N/A ASN 231.A N SER 562.A O no hydrogen 3.167 N/A ASN 231.A ND2 ARG 232.A O no hydrogen 3.040 N/A ARG 232.A NE PHE 507.A O no hydrogen 2.820 N/A ARG 232.A NH1 GLU 576.A OE2 no hydrogen 2.772 N/A ARG 232.A NH2 ASN 508.A O no hydrogen 2.919 N/A ARG 232.A NH2 GLU 576.A OE2 no hydrogen 2.898 N/A THR 233.A N GLN 560.A O no hydrogen 3.160 N/A LEU 239.A N PRO 237.A O no hydrogen 2.808 N/A PHE 241.A N PHE 220.A O no hydrogen 2.881 N/A GLU 242.A N GLY 219.A O no hydrogen 2.790 N/A ASN 243.A ND2 SER 505.A OG no hydrogen 2.966 N/A SER 244.A N VAL 273.A O no hydrogen 2.878 N/A SER 244.A OG ASN 276.A OD1 no hydrogen 2.674 N/A ASN 245.A N ASN 243.A OD1 no hydrogen 2.882 N/A ASN 245.A ND2 LEU 503.A O no hydrogen 3.016 N/A ASN 245.A ND2 LEU 534.A O no hydrogen 3.147 N/A LEU 246.A N ASN 243.A O no hydrogen 3.046 N/A SER 249.A N ASP 247.A OD1 no hydrogen 3.024 N/A ASN 250.A N ASP 247.A O no hydrogen 2.912 N/A ASN 250.A ND2 SER 244.A O no hydrogen 3.111 N/A SER 251.A N PRO 248.A O no hydrogen 3.297 N/A SER 251.A OG PRO 248.A O no hydrogen 3.078 N/A ASN 252.A N SER 249.A O no hydrogen 3.362 N/A ASN 252.A ND2 ASP 197.A OD1 no hydrogen 3.071 N/A TRP 254.A N ASN 252.A O no hydrogen 2.785 N/A ASN 255.A N ASN 252.A OD1 no hydrogen 2.913 N/A ASN 255.A ND2 SER 249.A O no hydrogen 2.942 N/A LEU 256.A N TYR 212.A O no hydrogen 2.848 N/A VAL 258.A N LYS 214.A O no hydrogen 2.950 N/A SER 259.A N LEU 279.A O no hydrogen 3.081 N/A SER 259.A OG THR 411.A O no hydrogen 2.687 N/A ALA 260.A N SER 271.A OG no hydrogen 3.030 N/A LEU 261.A N ALA 281.A O no hydrogen 2.814 N/A ASN 262.A N VAL 266.A O no hydrogen 2.855 N/A ASN 262.A ND2 GLU 285.A OE2 no hydrogen 2.992 N/A ASP 264.A N ASN 262.A OD1 no hydrogen 2.901 N/A GLY 265.A N ASN 262.A O no hydrogen 2.986 N/A VAL 266.A N ASN 262.A OD1 no hydrogen 3.381 N/A ARG 267.A N TYR 412.A OH no hydrogen 2.880 N/A ARG 267.A NE SER 268.A O no hydrogen 2.998 N/A ARG 267.A NH1 SER 269.A O no hydrogen 2.928 N/A SER 268.A N ALA 260.A O no hydrogen 2.850 N/A SER 268.A OG GLY 284.A O no hydrogen 2.824 N/A SER 269.A N GLU 285.A OE2 no hydrogen 2.901 N/A SER 269.A OG GLU 285.A OE1 no hydrogen 2.653 N/A TYR 270.A OH GLY 284.A O no hydrogen 2.732 N/A SER 271.A N SER 268.A O no hydrogen 2.986 N/A SER 271.A OG SER 272.A O no hydrogen 2.986 N/A SER 272.A N GLY 217.A O no hydrogen 2.871 N/A SER 272.A OG GLU 242.A O no hydrogen 3.423 N/A SER 272.A OG GLU 242.A OE2 no hydrogen 2.792 N/A GLY 274.A N PRO 410.A O no hydrogen 3.011 N/A SER 275.A OG ILE 502.A O no hydrogen 3.553 N/A SER 275.A OG LEU 534.A O no hydrogen 2.785 N/A ASN 276.A ND2 SER 244.A O no hydrogen 2.906 N/A ASN 276.A ND2 ASN 250.A O no hydrogen 2.931 N/A ILE 277.A N GLY 274.A O no hydrogen 3.156 N/A PHE 278.A N VAL 257.A O no hydrogen 2.821 N/A SER 280.A N GLY 415.A O no hydrogen 2.956 N/A ALA 281.A N SER 259.A O no hydrogen 2.987 N/A THR 282.A OG1 SER 341.A OG no hydrogen 2.812 N/A GLY 283.A N LEU 261.A O no hydrogen 2.895 N/A GLY 284.A N LEU 261.A O no hydrogen 2.961 N/A GLU 285.A N PRO 291.A O no hydrogen 2.922 N/A MET 293.A N MET 332.A O no hydrogen 2.803 N/A THR 295.A N ASN 329.A O no hydrogen 2.993 N/A THR 295.A OG1 SER 118.A O no hydrogen 2.773 N/A THR 296.A OG1 THR 117.A O no hydrogen 2.860 N/A ASP 297.A N ASP 327.A O no hydrogen 2.804 N/A GLY 300.A N ASP 327.A OD1 no hydrogen 3.141 N/A CYS 301.A SG ALA 324.A O no hydrogen 3.465 N/A GLY 304.A N PRO 111.A O no hydrogen 2.727 N/A TYR 305.A N ASP 297.A OD1 no hydrogen 2.721 N/A ASN 306.A N ASP 297.A OD2 no hydrogen 2.868 N/A ASN 306.A ND2 TYR 328.A O no hydrogen 2.823 N/A ARG 307.A NE ASP 309.A OD2 no hydrogen 2.703 N/A ARG 307.A NH1 GLY 304.A O no hydrogen 2.809 N/A ARG 307.A NH2 ASP 112.A OD2 no hydrogen 2.675 N/A THR 308.A N CYS 301.A O no hydrogen 2.847 N/A THR 308.A OG1 CYS 301.A O no hydrogen 3.246 N/A ASP 310.A N ARG 307.A O no hydrogen 3.050 N/A ASN 314.A N SER 312.A OG no hydrogen 2.963 N/A ASN 314.A ND2 GLY 45.A O no hydrogen 3.146 N/A ASN 314.A ND2 GLY 287.A O no hydrogen 2.854 N/A ARG 315.A N PHE 46.A O no hydrogen 2.880 N/A ARG 315.A NH1 ASP 44.A OD2 no hydrogen 3.171 N/A ARG 315.A NH1 SER 47.A O no hydrogen 2.890 N/A ARG 315.A NH2 ASP 44.A OD1 no hydrogen 3.187 N/A ARG 315.A NH2 ASP 44.A OD2 no hydrogen 3.059 N/A LEU 316.A N ASN 314.A OD1 no hydrogen 2.985 N/A HIS 317.A N ASN 314.A O no hydrogen 3.201 N/A GLY 318.A N ASN 306.A OD1 no hydrogen 2.959 N/A ASN 319.A ND2 ARG 315.A O no hydrogen 2.931 N/A SER 320.A OG GLN 321.A OE1 no hydrogen 3.148 N/A GLN 321.A N ASN 319.A OD1 no hydrogen 2.946 N/A LEU 322.A N ASN 319.A OD1 no hydrogen 2.935 N/A ASP 323.A N ASN 319.A O no hydrogen 2.862 N/A CYS 326.A N ASP 323.A O no hydrogen 2.979 N/A CYS 326.A SG ASN 306.A OD1 no hydrogen 3.559 N/A ASP 327.A N ASP 323.A OD1 no hydrogen 2.876 N/A TYR 328.A N ASP 323.A OD2 no hydrogen 2.930 N/A ASN 329.A N THR 295.A O no hydrogen 2.949 N/A ASN 329.A ND2 SER 118.A OG no hydrogen 2.968 N/A ASN 329.A ND2 ASP 297.A OD1 no hydrogen 3.079 N/A GLY 330.A N HIS 317.A NE2 no hydrogen 2.999 N/A VAL 331.A N ASN 329.A OD1 no hydrogen 3.205 N/A MET 332.A N ASN 329.A OD1 no hydrogen 3.133 N/A ASN 333.A ND2 GLU 285.A O no hydrogen 2.808 N/A GLY 334.A N TYR 270.A OH no hydrogen 2.802 N/A THR 335.A N ASN 218.A OD1 no hydrogen 2.876 N/A THR 335.A OG1 ASN 218.A OD1 no hydrogen 2.925 N/A SER 337.A N GLY 334.A O no hydrogen 2.877 N/A SER 337.A OG ASN 333.A O no hydrogen 2.851 N/A ALA 338.A N GLY 334.A O no hydrogen 3.181 N/A THR 339.A N THR 335.A O no hydrogen 2.953 N/A THR 339.A OG1 THR 335.A O no hydrogen 2.785 N/A SER 341.A N SER 337.A O no hydrogen 3.060 N/A SER 341.A OG THR 282.A O no hydrogen 3.098 N/A SER 341.A OG THR 282.A OG1 no hydrogen 2.812 N/A SER 341.A OG SER 337.A O no hydrogen 2.875 N/A THR 342.A N ALA 338.A O no hydrogen 3.005 N/A THR 342.A OG1 ALA 338.A O no hydrogen 2.955 N/A SER 343.A N THR 339.A O no hydrogen 2.826 N/A SER 343.A OG ASN 175.A OD1 no hydrogen 2.747 N/A SER 343.A OG THR 339.A O no hydrogen 3.255 N/A GLY 344.A N PRO 340.A O no hydrogen 2.827 N/A ALA 345.A N SER 341.A O no hydrogen 3.085 N/A MET 346.A N THR 342.A O no hydrogen 2.804 N/A ALA 347.A N SER 343.A O no hydrogen 2.895 N/A LEU 348.A N GLY 344.A O no hydrogen 2.926 N/A LEU 349.A N ALA 345.A O no hydrogen 3.054 N/A MET 350.A N MET 346.A O no hydrogen 2.851 N/A SER 351.A N ALA 347.A O no hydrogen 2.914 N/A SER 351.A OG ALA 347.A O no hydrogen 3.407 N/A SER 351.A OG LEU 348.A O no hydrogen 2.855 N/A ALA 352.A N LEU 348.A O no hydrogen 3.078 N/A TYR 353.A N LEU 349.A O no hydrogen 2.911 N/A LEU 356.A N TYR 353.A O no hydrogen 3.268 N/A SER 357.A N ASP 360.A OD2 no hydrogen 3.219 N/A SER 357.A OG ASP 360.A OD2 no hydrogen 2.888 N/A ARG 359.A NE GLU 473.A OE1 no hydrogen 2.884 N/A ARG 359.A NH1 PRO 433.A O no hydrogen 2.946 N/A ARG 359.A NH2 PRO 433.A O no hydrogen 2.894 N/A ARG 359.A NH2 GLU 473.A OE2 no hydrogen 2.750 N/A ASP 360.A N SER 357.A OG no hydrogen 2.974 N/A LEU 361.A N SER 357.A O no hydrogen 2.926 N/A ARG 362.A N VAL 358.A O no hydrogen 2.865 N/A ARG 362.A NH1 PHE 253.A O no hydrogen 2.995 N/A ARG 362.A NH2 PHE 253.A O no hydrogen 2.817 N/A ASP 363.A N ARG 359.A O no hydrogen 2.989 N/A LEU 364.A N ASP 360.A O no hydrogen 2.997 N/A LEU 365.A N LEU 361.A O no hydrogen 2.893 N/A ALA 366.A N ARG 362.A O no hydrogen 2.858 N/A ARG 367.A N ASP 363.A O no hydrogen 2.969 N/A ARG 367.A NE ASP 363.A OD1 no hydrogen 2.754 N/A ARG 367.A NE ASP 363.A OD2 no hydrogen 3.027 N/A SER 368.A N LEU 364.A O no hydrogen 3.106 N/A SER 368.A OG LEU 364.A O no hydrogen 2.705 N/A SER 368.A OG LEU 365.A O no hydrogen 3.433 N/A ALA 369.A N ALA 366.A O no hydrogen 3.480 N/A THR 370.A N LEU 416.A O no hydrogen 2.841 N/A VAL 372.A N THR 370.A O no hydrogen 2.908 N/A HIS 376.A N ASP 373.A O no hydrogen 3.236 N/A HIS 376.A ND1 ASP 373.A O no hydrogen 2.803 N/A VAL 379.A N LEU 396.A O no hydrogen 2.851 N/A VAL 381.A N VAL 393.A O no hydrogen 2.729 N/A TYR 383.A N ARG 391.A O no hydrogen 3.134 N/A TYR 383.A OH GLY 456.A O no hydrogen 2.600 N/A SER 385.A N LYS 389.A O no hydrogen 2.862 N/A SER 385.A OG THR 387.A OG1 no hydrogen 3.031 N/A SER 385.A OG LYS 389.A O no hydrogen 3.439 N/A SER 385.A OG ASN 457.A OD1 no hydrogen 2.723 N/A THR 387.A N SER 385.A OG no hydrogen 3.275 N/A THR 387.A OG1 SER 385.A OG no hydrogen 3.031 N/A THR 387.A OG1 ASN 457.A OD1 no hydrogen 3.082 N/A GLY 388.A N SER 385.A O no hydrogen 3.014 N/A LYS 389.A N SER 385.A OG no hydrogen 3.071 N/A LYS 389.A NZ ASN 457.A O no hydrogen 2.785 N/A ARG 391.A N TYR 383.A O no hydrogen 2.814 N/A ARG 391.A NH1 TYR 383.A OH no hydrogen 2.833 N/A VAL 393.A N VAL 381.A O no hydrogen 2.882 N/A LYS 394.A NZ GLU 400.A OE2 no hydrogen 2.816 N/A GLY 395.A N VAL 379.A O no hydrogen 2.737 N/A LEU 396.A N VAL 379.A O no hydrogen 3.268 N/A GLU 397.A N GLU 397.A OE1 no hydrogen 2.776 N/A TRP 399.A NE1 VAL 372.A O no hydrogen 2.815 N/A GLU 400.A N PHE 408.A O no hydrogen 3.012 N/A ASN 402.A N MET 406.A O no hydrogen 2.817 N/A ASN 402.A ND2 LYS 537.A O no hydrogen 2.817 N/A ASN 402.A ND2 TYR 539.A O no hydrogen 2.861 N/A ALA 403.A N GLU 541.A OE2 no hydrogen 2.885 N/A ALA 404.A N ASN 402.A OD1 no hydrogen 2.869 N/A GLY 405.A N ASN 402.A O no hydrogen 3.006 N/A MET 406.A N ASN 402.A OD1 no hydrogen 3.024 N/A PHE 408.A N GLU 400.A O no hydrogen 2.796 N/A SER 409.A N GLY 413.A O no hydrogen 2.910 N/A TYR 412.A N SER 409.A OG no hydrogen 3.083 N/A TYR 412.A OH ASP 373.A OD2 no hydrogen 2.588 N/A PHE 414.A N PHE 278.A O no hydrogen 2.925 N/A GLY 415.A N TYR 412.A O no hydrogen 2.872 N/A LEU 416.A N THR 370.A O no hydrogen 2.891 N/A ILE 417.A N SER 280.A O no hydrogen 3.174 N/A VAL 419.A N LEU 57.A O no hydrogen 2.961 N/A ASN 420.A N ASN 58.A O no hydrogen 2.798 N/A ASN 420.A ND2 ILE 16.A O no hydrogen 3.015 N/A LYS 421.A N ASP 418.A OD1 no hydrogen 3.026 N/A ALA 422.A N ASP 418.A O no hydrogen 2.990 N/A LEU 423.A N VAL 419.A O no hydrogen 2.915 N/A GLU 424.A N ASN 420.A O no hydrogen 2.970 N/A LEU 425.A N LYS 421.A O no hydrogen 2.938 N/A ALA 426.A N ALA 422.A O no hydrogen 2.864 N/A ALA 427.A N LEU 423.A O no hydrogen 3.355 N/A ASN 428.A N LEU 425.A O no hydrogen 3.118 N/A HIS 429.A N ALA 426.A O no hydrogen 3.161 N/A HIS 429.A NE2 ASP 360.A OD1 no hydrogen 2.849 N/A LEU 432.A N ASP 360.A OD1 no hydrogen 2.835 N/A VAL 436.A N GLY 594.A O no hydrogen 2.695 N/A GLN 437.A NE2 GLU 201.A OE2 no hydrogen 3.012 N/A LEU 438.A N VAL 592.A O no hydrogen 2.947 N/A GLN 441.A N LEU 590.A O no hydrogen 2.995 N/A ILE 443.A N TRP 588.A O no hydrogen 2.755 N/A VAL 445.A N ILE 586.A O no hydrogen 2.864 N/A ALA 450.A N GLY 447.A O no hydrogen 3.058 N/A ALA 451.A N SER 448.A O no hydrogen 3.317 N/A ILE 452.A N GLY 583.A O no hydrogen 2.856 N/A GLY 456.A N ASP 553.A O no hydrogen 3.068 N/A ASN 457.A ND2 THR 387.A OG1 no hydrogen 3.136 N/A THR 460.A N VAL 551.A O no hydrogen 2.749 N/A THR 460.A OG1 ALA 451.A O no hydrogen 2.687 N/A THR 460.A OG1 VAL 551.A O no hydrogen 3.558 N/A SER 461.A OG PRO 459.A O no hydrogen 3.421 N/A SER 462.A N LEU 549.A O no hydrogen 2.994 N/A THR 464.A N TRP 547.A O no hydrogen 2.961 N/A THR 464.A OG1 GLN 441.A OE1 no hydrogen 2.999 N/A ILE 466.A N GLY 545.A O no hydrogen 2.829 N/A THR 471.A N HIS 595.A O no hydrogen 2.878 N/A VAL 472.A N GLU 541.A O no hydrogen 2.778 N/A GLU 473.A N LEU 593.A O no hydrogen 2.772 N/A ALA 474.A N LEU 593.A O no hydrogen 3.080 N/A VAL 475.A N SER 535.A O no hydrogen 3.199 N/A GLN 476.A N ARG 591.A O no hydrogen 2.889 N/A GLN 476.A NE2 SER 251.A O no hydrogen 2.859 N/A VAL 477.A N MET 533.A O no hydrogen 2.881 N/A MET 478.A N SER 589.A O no hydrogen 2.979 N/A VAL 479.A N MET 531.A O no hydrogen 2.939 N/A SER 480.A N SER 587.A O no hydrogen 2.877 N/A SER 480.A OG ASP 530.A OD1 no hydrogen 3.441 N/A LEU 481.A N LEU 528.A O no hydrogen 2.968 N/A ASP 482.A N LYS 584.A O no hydrogen 2.812 N/A HIS 483.A N LYS 526.A O no hydrogen 3.059 N/A HIS 483.A NE2 ASP 553.A OD2 no hydrogen 2.764 N/A GLN 484.A NE2 GLN 581.A OE1 no hydrogen 3.142 N/A ARG 485.A N HIS 483.A ND1 no hydrogen 2.951 N/A ARG 485.A NE ASP 488.A OD2 no hydrogen 2.895 N/A ARG 485.A NH1 GLY 557.A O no hydrogen 2.773 N/A ARG 485.A NH1 GLU 576.A O no hydrogen 2.942 N/A ARG 485.A NH2 ASP 488.A OD2 no hydrogen 3.183 N/A ARG 485.A NH2 ALA 555.A O no hydrogen 3.286 N/A ARG 485.A NH2 GLY 557.A O no hydrogen 2.921 N/A LEU 486.A N GLN 513.A OE1 no hydrogen 2.946 N/A ASP 488.A N ARG 485.A O no hydrogen 2.903 N/A LEU 489.A N LEU 486.A O no hydrogen 2.997 N/A LEU 490.A N THR 552.A O no hydrogen 2.903 N/A ILE 491.A N LEU 504.A O no hydrogen 2.989 N/A GLU 492.A N GLU 550.A O no hydrogen 2.873 N/A LEU 493.A N SER 501.A O no hydrogen 2.844 N/A VAL 494.A N ARG 548.A O no hydrogen 2.832 N/A SER 495.A N THR 499.A O no hydrogen 2.893 N/A SER 495.A OG GLU 541.A OE1 no hydrogen 2.775 N/A GLY 498.A N SER 495.A O no hydrogen 2.824 N/A THR 499.A OG1 GLU 541.A OE1 no hydrogen 3.496 N/A THR 499.A OG1 GLU 541.A OE2 no hydrogen 2.510 N/A ARG 500.A NE GLU 492.A OE1 no hydrogen 2.710 N/A ARG 500.A NH2 GLU 550.A OE1 no hydrogen 2.666 N/A SER 501.A N LEU 493.A O no hydrogen 2.857 N/A SER 501.A OG SER 535.A OG no hydrogen 2.714 N/A ILE 502.A N GLU 397.A OE2 no hydrogen 2.863 N/A LEU 503.A N ILE 491.A O no hydrogen 2.753 N/A LEU 504.A N ILE 491.A O no hydrogen 3.104 N/A PHE 507.A N PRO 487.A O no hydrogen 2.722 N/A ASN 508.A ND2 SER 505.A O no hydrogen 2.851 N/A SER 509.A OG VAL 182.A O no hydrogen 2.861 N/A LEU 510.A N ASN 508.A OD1 no hydrogen 3.015 N/A VAL 511.A N SER 509.A O no hydrogen 2.716 N/A GLY 512.A N VAL 183.A O no hydrogen 2.755 N/A GLN 513.A NE2 HIS 483.A O no hydrogen 2.806 N/A GLN 513.A NE2 THR 525.A O no hydrogen 2.967 N/A LEU 515.A N VAL 511.A O no hydrogen 3.107 N/A ASP 516.A N GLY 512.A O no hydrogen 2.844 N/A GLN 517.A N GLN 513.A O no hydrogen 3.113 N/A GLN 518.A N SER 514.A O no hydrogen 3.010 N/A GLN 519.A N LEU 515.A O no hydrogen 2.835 N/A LEU 520.A N ASP 516.A O no hydrogen 2.767 N/A GLY 521.A N ASP 516.A O no hydrogen 3.207 N/A GLY 521.A N GLN 517.A O no hydrogen 3.128 N/A ARG 524.A N ASP 516.A OD2 no hydrogen 3.226 N/A THR 525.A OG1 ASP 184.A OD2 no hydrogen 2.815 N/A LYS 526.A NZ ASP 482.A OD2 no hydrogen 3.113 N/A LEU 528.A N LEU 481.A O no hydrogen 2.839 N/A ARG 529.A NH1 LEU 481.A O no hydrogen 2.993 N/A ARG 529.A NH1 ASP 482.A OD1 no hydrogen 2.919 N/A ARG 529.A NH1 LEU 528.A O no hydrogen 2.952 N/A ARG 529.A NH2 ASP 482.A OD1 no hydrogen 2.698 N/A ASP 530.A N SER 480.A OG no hydrogen 2.952 N/A MET 531.A N VAL 479.A O no hydrogen 3.014 N/A ARG 532.A NE SER 251.A OG no hydrogen 2.884 N/A ARG 532.A NH1 ASP 197.A OD2 no hydrogen 3.256 N/A ARG 532.A NH2 PRO 248.A O no hydrogen 2.819 N/A MET 533.A N VAL 477.A O no hydrogen 2.828 N/A LEU 534.A N ASN 245.A OD1 no hydrogen 2.965 N/A SER 535.A N VAL 475.A O no hydrogen 2.950 N/A SER 535.A OG SER 501.A OG no hydrogen 2.714 N/A ASN 536.A N SER 275.A O no hydrogen 2.905 N/A ASN 536.A ND2 ILE 277.A O no hydrogen 2.944 N/A LYS 537.A N SER 535.A OG no hydrogen 3.029 N/A LYS 537.A NZ GLU 400.A OE1 no hydrogen 2.840 N/A LYS 537.A NZ ARG 500.A O no hydrogen 2.806 N/A TYR 539.A N ASN 536.A O no hydrogen 3.272 N/A TYR 539.A OH ASP 363.A OD1 no hydrogen 2.562 N/A GLY 540.A N VAL 472.A O no hydrogen 2.792 N/A GLU 541.A N PHE 538.A O no hydrogen 2.978 N/A ALA 543.A N LEU 470.A O no hydrogen 2.743 N/A GLN 544.A N SER 542.A OG no hydrogen 3.396 N/A GLN 544.A NE2 ALA 467.A O no hydrogen 2.836 N/A GLY 545.A N ILE 466.A O no hydrogen 2.916 N/A TRP 547.A N THR 464.A O no hydrogen 2.800 N/A TRP 547.A NE1 ALA 543.A O no hydrogen 2.893 N/A ARG 548.A N VAL 494.A O no hydrogen 2.935 N/A ARG 548.A NE GLU 550.A OE2 no hydrogen 2.858 N/A ARG 548.A NH2 GLU 550.A OE2 no hydrogen 3.166 N/A LEU 549.A N SER 462.A O no hydrogen 2.806 N/A GLU 550.A N GLU 492.A O no hydrogen 2.771 N/A VAL 551.A N THR 460.A O no hydrogen 2.816 N/A THR 552.A N LEU 490.A O no hydrogen 3.008 N/A VAL 554.A N ASP 488.A O no hydrogen 2.928 N/A ALA 555.A N ASP 553.A OD1 no hydrogen 3.179 N/A ARG 559.A N GLU 576.A O no hydrogen 3.476 N/A ARG 559.A NE GLU 576.A OE2 no hydrogen 2.962 N/A ARG 559.A NH1 ASP 488.A OD1 no hydrogen 2.807 N/A ARG 559.A NH2 ASP 488.A OD1 no hydrogen 2.877 N/A ARG 559.A NH2 GLU 576.A OE1 no hydrogen 3.073 N/A ARG 559.A NH2 GLU 576.A OE2 no hydrogen 3.439 N/A VAL 561.A N LEU 574.A O no hydrogen 2.785 N/A SER 562.A N ASN 231.A O no hydrogen 2.771 N/A LEU 563.A N THR 572.A O no hydrogen 2.850 N/A LEU 564.A N VAL 229.A O no hydrogen 2.812 N/A ASN 565.A N GLU 570.A O no hydrogen 2.906 N/A ARG 566.A N GLY 227.A O no hydrogen 2.931 N/A GLU 567.A N ASN 565.A OD1 no hydrogen 3.172 N/A THR 568.A N ASN 565.A OD1 no hydrogen 3.021 N/A ARG 569.A N ASN 565.A O no hydrogen 2.761 N/A ARG 569.A NH1 ARG 566.A O no hydrogen 3.136 N/A GLU 570.A N THR 568.A OG1 no hydrogen 3.147 N/A THR 572.A N LEU 563.A O no hydrogen 2.803 N/A LEU 574.A N VAL 561.A O no hydrogen 2.776 N/A GLU 576.A N ARG 559.A O no hydrogen 2.837 N/A ASN 578.A ND2 ASP 454.A OD1 no hydrogen 3.489 N/A ASN 578.A ND2 ASP 454.A OD2 no hydrogen 2.724 N/A ASN 579.A ND2 GLN 581.A O no hydrogen 2.806 N/A GLN 581.A N GLN 484.A OE1 no hydrogen 3.097 N/A GLY 583.A N ILE 452.A O no hydrogen 2.809 N/A LYS 584.A N ASP 482.A O no hydrogen 2.801 N/A LEU 585.A N ALA 450.A O no hydrogen 2.801 N/A ILE 586.A N SER 480.A O no hydrogen 2.896 N/A SER 587.A N SER 480.A O no hydrogen 3.132 N/A TRP 588.A N ILE 443.A O no hydrogen 3.022 N/A TRP 588.A NE1 SER 462.A OG no hydrogen 2.785 N/A SER 589.A N MET 478.A O no hydrogen 2.870 N/A LEU 590.A N GLN 441.A O no hydrogen 2.909 N/A ARG 591.A N GLN 476.A O no hydrogen 2.828 N/A ARG 591.A NE LEU 438.A O no hydrogen 2.853 N/A LEU 593.A N ALA 474.A O no hydrogen 2.904 N/A GLY 594.A N VAL 436.A O no hydrogen 2.902 N/A HIS 595.A N THR 471.A O no hydrogen 2.953 N/A HIS 595.A ND1 GLU 473.A OE2 no hydrogen 2.732 N/A