Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wmg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N THR 1.A O no hydrogen 3.211 N/A ARG 7.A N VAL 3.A O no hydrogen 3.074 N/A ARG 7.A NH1 ASP 317.A OD1 no hydrogen 3.160 N/A ARG 7.A NH1 ASP 317.A OD2 no hydrogen 2.573 N/A ARG 7.A NH2 ASP 317.A OD1 no hydrogen 2.709 N/A ILE 8.A N THR 4.A O no hydrogen 3.051 N/A PHE 9.A N ALA 5.A O no hydrogen 3.161 N/A ALA 10.A N ARG 6.A O no hydrogen 2.815 N/A LEU 11.A N ARG 7.A O no hydrogen 2.998 N/A ALA 12.A N ILE 8.A O no hydrogen 3.053 N/A TRP 13.A N PHE 9.A O no hydrogen 2.682 N/A SER 14.A N ALA 10.A O no hydrogen 2.682 N/A SER 15.A N LEU 11.A O no hydrogen 3.329 N/A SER 15.A N ALA 12.A O no hydrogen 3.246 N/A SER 16.A N ALA 12.A O no hydrogen 2.704 N/A ILE 20.A N SER 16.A O no hydrogen 3.370 N/A VAL 21.A N ALA 17.A O no hydrogen 3.129 N/A ILE 22.A N THR 18.A O no hydrogen 2.929 N/A GLY 23.A N MET 19.A O no hydrogen 2.894 N/A PHE 24.A N ILE 20.A O no hydrogen 2.914 N/A ILE 25.A N VAL 21.A O no hydrogen 3.030 N/A ALA 26.A N ILE 22.A O no hydrogen 2.849 N/A SER 27.A N GLY 23.A O no hydrogen 2.776 N/A ILE 28.A N PHE 24.A O no hydrogen 3.066 N/A LEU 29.A N ILE 25.A O no hydrogen 3.119 N/A GLU 30.A N ALA 26.A O no hydrogen 2.893 N/A GLY 31.A N SER 27.A O no hydrogen 3.174 N/A GLY 31.A N ILE 28.A O no hydrogen 3.035 N/A ALA 32.A N LEU 29.A O no hydrogen 2.907 N/A THR 33.A N GLU 30.A O no hydrogen 3.281 N/A THR 33.A OG1 GLU 73.A OE1 no hydrogen 2.963 N/A ALA 36.A N ALA 32.A O no hydrogen 2.909 N/A PHE 37.A N THR 33.A O no hydrogen 3.035 N/A ALA 38.A N LEU 34.A O no hydrogen 2.885 N/A ILE 39.A N PRO 35.A O no hydrogen 2.999 N/A VAL 40.A N ALA 36.A O no hydrogen 2.986 N/A PHE 41.A N PHE 37.A O no hydrogen 2.783 N/A GLY 42.A N ALA 38.A O no hydrogen 2.905 N/A ARG 43.A N ILE 39.A O no hydrogen 3.124 N/A ARG 43.A NH1 THR 280.A OG1 no hydrogen 3.302 N/A ARG 43.A NH2 ASN 277.A OD1 no hydrogen 2.350 N/A MET 44.A N VAL 40.A O no hydrogen 3.280 N/A PHE 45.A N PHE 41.A O no hydrogen 3.106 N/A GLN 46.A N GLY 42.A O no hydrogen 3.058 N/A VAL 47.A N ARG 43.A O no hydrogen 3.072 N/A PHE 48.A N MET 44.A O no hydrogen 3.101 N/A THR 49.A N GLN 46.A O no hydrogen 2.985 N/A THR 49.A OG1 GLN 46.A O no hydrogen 2.595 N/A LYS 50.A N VAL 47.A O no hydrogen 3.241 N/A SER 53.A N SER 51.A OG no hydrogen 3.017 N/A ILE 55.A N SER 51.A O no hydrogen 2.929 N/A GLU 56.A N LYS 52.A O no hydrogen 3.202 N/A GLY 57.A N SER 53.A O no hydrogen 3.175 N/A GLU 58.A N GLN 54.A O no hydrogen 2.921 N/A THR 59.A N ILE 55.A O no hydrogen 3.252 N/A THR 59.A OG1 ILE 55.A O no hydrogen 3.379 N/A LYS 61.A N GLU 58.A O no hydrogen 2.962 N/A TYR 62.A N THR 59.A O no hydrogen 2.682 N/A SER 63.A N THR 59.A O no hydrogen 3.176 N/A VAL 64.A N TRP 60.A O no hydrogen 3.048 N/A GLY 65.A N LYS 61.A O no hydrogen 3.273 N/A PHE 66.A N TYR 62.A O no hydrogen 3.002 N/A VAL 67.A N SER 63.A O no hydrogen 3.093 N/A GLY 68.A N VAL 64.A O no hydrogen 2.923 N/A ILE 69.A N GLY 65.A O no hydrogen 2.946 N/A GLY 70.A N PHE 66.A O no hydrogen 2.809 N/A VAL 71.A N VAL 67.A O no hydrogen 2.875 N/A PHE 72.A N GLY 68.A O no hydrogen 2.875 N/A GLU 73.A N ILE 69.A O no hydrogen 2.768 N/A PHE 74.A N GLY 70.A O no hydrogen 2.834 N/A ILE 75.A N VAL 71.A O no hydrogen 3.049 N/A VAL 76.A N PHE 72.A O no hydrogen 2.893 N/A ALA 77.A N GLU 73.A O no hydrogen 2.816 N/A GLY 78.A N PHE 74.A O no hydrogen 3.066 N/A SER 79.A N ILE 75.A O no hydrogen 3.119 N/A SER 79.A OG ILE 75.A O no hydrogen 2.836 N/A ARG 80.A N VAL 76.A O no hydrogen 2.995 N/A ARG 80.A NE GLU 30.A OE2 no hydrogen 2.600 N/A ARG 80.A NH2 GLU 30.A OE1 no hydrogen 2.712 N/A THR 81.A N ALA 77.A O no hydrogen 3.118 N/A THR 81.A OG1 ALA 77.A O no hydrogen 2.845 N/A ALA 82.A N GLY 78.A O no hydrogen 2.956 N/A LEU 83.A N SER 79.A O no hydrogen 2.792 N/A PHE 84.A N ARG 80.A O no hydrogen 3.205 N/A GLY 85.A N THR 81.A O no hydrogen 3.035 N/A ILE 86.A N ALA 82.A O no hydrogen 2.829 N/A ALA 87.A N LEU 83.A O no hydrogen 2.951 N/A SER 88.A N PHE 84.A O no hydrogen 3.017 N/A SER 88.A OG PHE 84.A O no hydrogen 3.317 N/A SER 88.A OG GLY 85.A O no hydrogen 2.618 N/A GLU 89.A N GLY 85.A O no hydrogen 3.001 N/A ARG 90.A N ILE 86.A O no hydrogen 2.861 N/A LEU 91.A N ALA 87.A O no hydrogen 2.842 N/A ALA 92.A N SER 88.A O no hydrogen 2.971 N/A ARG 93.A N GLU 89.A O no hydrogen 3.092 N/A ASP 94.A N ARG 90.A O no hydrogen 3.037 N/A LEU 95.A N LEU 91.A O no hydrogen 2.922 N/A ARG 96.A N ALA 92.A O no hydrogen 3.050 N/A ARG 96.A NE LEU 123.A O no hydrogen 2.820 N/A ARG 96.A NH2 ASN 124.A O no hydrogen 2.919 N/A VAL 97.A N ARG 93.A O no hydrogen 2.943 N/A ALA 98.A N ASP 94.A O no hydrogen 3.038 N/A ALA 99.A N LEU 95.A O no hydrogen 2.972 N/A PHE 100.A N ARG 96.A O no hydrogen 2.946 N/A SER 101.A N VAL 97.A O no hydrogen 2.789 N/A ASN 102.A N ALA 98.A O no hydrogen 3.200 N/A ASN 102.A ND2 MET 315.A O no hydrogen 2.824 N/A ASN 102.A ND2 ARG 318.A O no hydrogen 2.932 N/A LEU 103.A N ALA 99.A O no hydrogen 2.758 N/A VAL 104.A N PHE 100.A O no hydrogen 3.114 N/A GLU 105.A N ASN 102.A O no hydrogen 3.211 N/A GLN 106.A N LEU 103.A O no hydrogen 3.016 N/A GLN 106.A NE2 ASN 102.A O no hydrogen 2.969 N/A GLN 106.A NE2 ARG 318.A O no hydrogen 3.015 N/A TYR 110.A N ASP 107.A OD2 no hydrogen 2.884 N/A ASP 112.A N VAL 108.A O no hydrogen 2.904 N/A ARG 113.A N THR 109.A O no hydrogen 3.125 N/A ARG 113.A N TYR 110.A O no hydrogen 3.281 N/A ARG 114.A N PHE 111.A O no hydrogen 3.272 N/A ARG 114.A NE GLU 118.A OE1 no hydrogen 3.113 N/A LYS 115.A N GLU 118.A OE2 no hydrogen 2.936 N/A GLU 118.A N LYS 115.A O no hydrogen 3.254 N/A GLY 121.A N GLY 117.A O no hydrogen 2.865 N/A LYS 122.A N GLU 118.A O no hydrogen 3.212 N/A LYS 122.A NZ GLU 311.A OE1 no hydrogen 2.825 N/A LEU 123.A N LEU 119.A O no hydrogen 2.991 N/A ASN 124.A N GLY 120.A O no hydrogen 2.975 N/A ASN 125.A N GLY 121.A O no hydrogen 2.714 N/A VAL 127.A N LYS 122.A O no hydrogen 3.281 N/A VAL 129.A N ASN 125.A O no hydrogen 3.049 N/A ILE 130.A N ASP 126.A O no hydrogen 3.212 N/A GLN 131.A N VAL 127.A O no hydrogen 2.864 N/A GLN 131.A NE2 GLU 89.A OE2 no hydrogen 2.670 N/A TYR 132.A N GLN 128.A O no hydrogen 3.018 N/A SER 133.A N VAL 129.A O no hydrogen 3.048 N/A SER 133.A OG VAL 129.A O no hydrogen 3.291 N/A SER 133.A OG ASP 301.A O no hydrogen 2.466 N/A SER 133.A OG VAL 302.A O no hydrogen 3.322 N/A PHE 134.A N ILE 130.A O no hydrogen 3.003 N/A SER 135.A N GLN 131.A O no hydrogen 2.927 N/A SER 135.A OG TYR 132.A O no hydrogen 2.662 N/A LYS 136.A N TYR 132.A O no hydrogen 3.047 N/A LYS 136.A NZ TYR 132.A OH no hydrogen 2.684 N/A LYS 136.A NZ ASP 301.A OD2 no hydrogen 3.348 N/A LEU 137.A N PHE 134.A O no hydrogen 3.205 N/A VAL 140.A N LYS 136.A O no hydrogen 3.082 N/A LEU 141.A N LEU 137.A O no hydrogen 3.028 N/A PHE 142.A N GLY 138.A O no hydrogen 3.004 N/A ASN 143.A N ALA 139.A O no hydrogen 3.112 N/A ASN 143.A ND2 ALA 139.A O no hydrogen 2.861 N/A LEU 144.A N VAL 140.A O no hydrogen 3.001 N/A ALA 145.A N LEU 141.A O no hydrogen 2.949 N/A GLN 146.A N PHE 142.A O no hydrogen 3.038 N/A GLN 146.A NE2 LEU 287.A O no hydrogen 2.747 N/A CYS 147.A N ASN 143.A O no hydrogen 3.032 N/A VAL 148.A N LEU 144.A O no hydrogen 3.048 N/A VAL 149.A N ALA 145.A O no hydrogen 2.904 N/A GLY 150.A N GLN 146.A O no hydrogen 2.881 N/A ILE 151.A N CYS 147.A O no hydrogen 3.197 N/A ILE 152.A N VAL 148.A O no hydrogen 2.998 N/A VAL 153.A N VAL 149.A O no hydrogen 2.706 N/A ALA 154.A N GLY 150.A O no hydrogen 3.023 N/A PHE 155.A N ILE 151.A O no hydrogen 2.905 N/A ILE 156.A N ILE 152.A O no hydrogen 2.871 N/A PHE 157.A N VAL 153.A O no hydrogen 3.022 N/A PHE 157.A N ALA 154.A O no hydrogen 3.254 N/A ALA 158.A N ALA 154.A O no hydrogen 2.939 N/A THR 162.A N ALA 158.A O no hydrogen 3.176 N/A THR 162.A OG1 ALA 154.A O no hydrogen 3.048 N/A THR 162.A OG1 ALA 158.A O no hydrogen 3.004 N/A GLY 163.A N PRO 159.A O no hydrogen 2.993 N/A VAL 164.A N LEU 161.A O no hydrogen 2.929 N/A LEU 165.A N LEU 161.A O no hydrogen 3.004 N/A ILE 166.A N THR 162.A O no hydrogen 2.925 N/A ALA 167.A N GLY 163.A O no hydrogen 3.250 N/A LEU 168.A N VAL 164.A O no hydrogen 2.930 N/A LEU 168.A N LEU 165.A O no hydrogen 3.080 N/A VAL 172.A N SER 169.A O no hydrogen 3.268 N/A ALA 175.A N LEU 171.A O no hydrogen 2.658 N/A VAL 176.A N VAL 172.A O no hydrogen 3.047 N/A VAL 178.A N LEU 174.A O no hydrogen 2.694 N/A GLN 179.A N ALA 175.A O no hydrogen 3.351 N/A ILE 181.A N VAL 177.A O no hydrogen 2.882 N/A GLU 182.A N VAL 178.A O no hydrogen 2.927 N/A MET 183.A N GLN 179.A O no hydrogen 3.299 N/A SER 184.A N MET 180.A O no hydrogen 3.115 N/A GLY 185.A N GLU 182.A O no hydrogen 3.021 N/A ARG 189.A N GLY 185.A O no hydrogen 3.354 N/A ARG 189.A NH1 ASN 186.A OD1 no hydrogen 2.730 N/A ARG 189.A NH2 ASN 186.A OD1 no hydrogen 3.018 N/A SER 190.A N ASN 186.A O no hydrogen 2.931 N/A SER 190.A OG ASN 186.A O no hydrogen 3.380 N/A SER 191.A N THR 187.A O no hydrogen 3.226 N/A SER 191.A OG THR 187.A O no hydrogen 2.994 N/A GLU 192.A N LYS 188.A O no hydrogen 3.280 N/A ALA 193.A N ARG 189.A O no hydrogen 3.075 N/A TYR 194.A N SER 190.A O no hydrogen 2.868 N/A TYR 194.A OH TYR 224.A OH no hydrogen 2.749 N/A ALA 195.A N GLU 192.A O no hydrogen 3.215 N/A GLY 198.A N TYR 194.A O no hydrogen 2.889 N/A SER 199.A N ALA 195.A O no hydrogen 3.048 N/A SER 199.A N SER 196.A O no hydrogen 3.238 N/A SER 199.A OG ALA 195.A O no hydrogen 2.931 N/A VAL 200.A N SER 196.A O no hydrogen 3.394 N/A ALA 201.A N ALA 197.A O no hydrogen 3.104 N/A ALA 202.A N GLY 198.A O no hydrogen 2.892 N/A GLU 203.A N SER 199.A O no hydrogen 2.937 N/A VAL 204.A N VAL 200.A O no hydrogen 2.929 N/A PHE 205.A N ALA 201.A O no hydrogen 2.988 N/A SER 206.A N ALA 202.A O no hydrogen 3.132 N/A SER 206.A OG ALA 202.A O no hydrogen 2.805 N/A ASN 207.A N VAL 204.A O no hydrogen 3.224 N/A THR 210.A N ASN 207.A O no hydrogen 2.986 N/A THR 211.A N ASN 207.A O no hydrogen 3.275 N/A LYS 212.A N ILE 208.A O no hydrogen 2.789 N/A ALA 213.A N ARG 209.A O no hydrogen 2.850 N/A PHE 214.A N THR 210.A O no hydrogen 3.088 N/A GLU 215.A N LYS 212.A O no hydrogen 3.246 N/A ALA 216.A N THR 211.A O no hydrogen 2.936 N/A GLU 217.A N GLU 217.A OE1 no hydrogen 2.815 N/A GLU 220.A N ALA 216.A O no hydrogen 2.849 N/A THR 221.A N GLU 217.A O no hydrogen 2.962 N/A THR 221.A OG1 GLU 217.A O no hydrogen 3.114 N/A GLN 222.A N ARG 218.A O no hydrogen 2.932 N/A ARG 223.A N TYR 219.A O no hydrogen 2.945 N/A ARG 223.A NH1 GLU 203.A OE1 no hydrogen 3.534 N/A ARG 223.A NH1 GLU 220.A OE1 no hydrogen 3.557 N/A ARG 223.A NH1 GLU 220.A OE2 no hydrogen 2.627 N/A ARG 223.A NH2 GLU 203.A OE1 no hydrogen 3.361 N/A TYR 224.A N GLU 220.A O no hydrogen 2.960 N/A TYR 224.A OH TYR 194.A OH no hydrogen 2.749 N/A GLY 225.A N THR 221.A O no hydrogen 3.047 N/A SER 226.A N GLN 222.A O no hydrogen 2.921 N/A SER 226.A OG ARG 223.A O no hydrogen 3.288 N/A LYS 227.A N ARG 223.A O no hydrogen 2.947 N/A LYS 227.A NZ SER 196.A OG no hydrogen 3.015 N/A LEU 228.A N GLY 225.A O no hydrogen 3.035 N/A ASP 229.A N SER 226.A O no hydrogen 3.304 N/A TYR 232.A N LEU 228.A O no hydrogen 2.911 N/A ARG 233.A N ASP 229.A O no hydrogen 2.843 N/A ARG 233.A NE ASP 229.A OD2 no hydrogen 2.787 N/A ARG 233.A NH2 ASP 229.A OD2 no hydrogen 3.272 N/A LEU 234.A N PRO 230.A O no hydrogen 2.929 N/A GLY 235.A N LEU 231.A O no hydrogen 3.077 N/A ARG 236.A N TYR 232.A O no hydrogen 2.977 N/A ARG 237.A N ARG 233.A O no hydrogen 3.146 N/A ARG 238.A N LEU 234.A O no hydrogen 2.924 N/A ARG 238.A NE ASP 242.A OD2 no hydrogen 2.815 N/A ARG 238.A NH2 ASP 242.A OD2 no hydrogen 3.205 N/A TYR 239.A N GLY 235.A O no hydrogen 2.951 N/A TYR 239.A N ARG 236.A O no hydrogen 3.069 N/A ILE 240.A N ARG 236.A O no hydrogen 3.025 N/A SER 241.A N ARG 237.A O no hydrogen 2.878 N/A ASP 242.A N ARG 238.A O no hydrogen 2.998 N/A GLY 243.A N TYR 239.A O no hydrogen 3.025 N/A LEU 244.A N ILE 240.A O no hydrogen 2.915 N/A PHE 245.A N SER 241.A O no hydrogen 2.946 N/A PHE 246.A N ASP 242.A O no hydrogen 2.848 N/A GLY 247.A N GLY 243.A O no hydrogen 3.028 N/A LEU 248.A N LEU 244.A O no hydrogen 2.755 N/A SER 249.A N PHE 245.A O no hydrogen 3.073 N/A SER 249.A OG PHE 245.A O no hydrogen 2.936 N/A SER 249.A OG PHE 246.A O no hydrogen 2.978 N/A MET 250.A N PHE 246.A O no hydrogen 3.104 N/A LEU 251.A N GLY 247.A O no hydrogen 3.030 N/A VAL 252.A N LEU 248.A O no hydrogen 2.875 N/A ILE 253.A N SER 249.A O no hydrogen 3.099 N/A PHE 254.A N MET 250.A O no hydrogen 3.180 N/A CYS 255.A N LEU 251.A O no hydrogen 3.008 N/A CYS 255.A SG LEU 251.A O no hydrogen 3.319 N/A VAL 256.A N VAL 252.A O no hydrogen 2.825 N/A TYR 257.A N ILE 253.A O no hydrogen 2.866 N/A ALA 258.A N PHE 254.A O no hydrogen 2.825 N/A LEU 259.A N CYS 255.A O no hydrogen 2.849 N/A ALA 260.A N VAL 256.A O no hydrogen 2.794 N/A LEU 261.A N TYR 257.A O no hydrogen 2.820 N/A TRP 262.A N ALA 258.A O no hydrogen 3.149 N/A TRP 263.A N LEU 259.A O no hydrogen 3.322 N/A GLY 264.A N ALA 260.A O no hydrogen 2.961 N/A GLY 265.A N LEU 261.A O no hydrogen 3.031 N/A GLN 266.A N TRP 262.A O no hydrogen 3.155 N/A LEU 267.A N TRP 263.A O no hydrogen 3.035 N/A ILE 268.A N GLY 264.A O no hydrogen 2.988 N/A ALA 269.A N GLY 265.A O no hydrogen 2.848 N/A ARG 270.A N GLN 266.A O no hydrogen 2.975 N/A GLY 271.A N ILE 268.A O no hydrogen 2.857 N/A ASN 277.A N ASN 274.A OD1 no hydrogen 2.971 N/A LEU 278.A N ASN 274.A O no hydrogen 3.153 N/A LEU 279.A N LEU 275.A O no hydrogen 3.028 N/A THR 280.A N GLY 276.A O no hydrogen 2.789 N/A THR 280.A OG1 ALA 38.A O no hydrogen 2.744 N/A THR 280.A OG1 ILE 39.A O no hydrogen 3.429 N/A THR 280.A OG1 GLY 276.A O no hydrogen 3.402 N/A ALA 281.A N ASN 277.A O no hydrogen 3.053 N/A PHE 282.A N LEU 278.A O no hydrogen 2.863 N/A PHE 283.A N LEU 279.A O no hydrogen 2.887 N/A SER 284.A N THR 280.A O no hydrogen 2.828 N/A SER 284.A OG GLY 150.A O no hydrogen 2.473 N/A ALA 285.A N ALA 281.A O no hydrogen 2.800 N/A ILE 286.A N PHE 282.A O no hydrogen 3.075 N/A LEU 287.A N PHE 283.A O no hydrogen 3.062 N/A GLY 288.A N SER 284.A O no hydrogen 2.881 N/A PHE 289.A N ALA 285.A O no hydrogen 3.066 N/A MET 290.A N ILE 286.A O no hydrogen 2.811 N/A GLY 291.A N LEU 287.A O no hydrogen 2.897 N/A VAL 292.A N GLY 288.A O no hydrogen 3.422 N/A GLY 293.A N PHE 289.A O no hydrogen 3.141 N/A GLN 294.A N MET 290.A O no hydrogen 2.909 N/A ALA 295.A N GLY 291.A O no hydrogen 2.956 N/A ALA 296.A N VAL 292.A O no hydrogen 2.929 N/A GLN 297.A N GLY 293.A O no hydrogen 2.939 N/A VAL 298.A N GLN 294.A O no hydrogen 3.133 N/A TRP 299.A N ALA 295.A O no hydrogen 3.070 N/A VAL 302.A N TRP 299.A O no hydrogen 3.001 N/A THR 303.A N TRP 299.A O no hydrogen 3.042 N/A THR 303.A OG1 TRP 299.A O no hydrogen 3.390 N/A THR 303.A OG1 PRO 300.A O no hydrogen 3.204 N/A ARG 304.A N PRO 300.A O no hydrogen 2.884 N/A ARG 304.A NH1 ASP 301.A OD1 no hydrogen 2.787 N/A LEU 306.A N THR 303.A O no hydrogen 3.117 N/A GLY 309.A N GLY 305.A O no hydrogen 2.985 N/A GLY 310.A N LEU 306.A O no hydrogen 3.046 N/A LEU 312.A N ALA 308.A O no hydrogen 3.006 N/A PHE 313.A N GLY 309.A O no hydrogen 2.924 N/A ALA 314.A N GLY 310.A O no hydrogen 3.269 N/A MET 315.A N GLU 311.A O no hydrogen 3.221 N/A ILE 316.A N LEU 312.A O no hydrogen 2.865 N/A ASP 317.A N PHE 313.A O no hydrogen 2.818 N/A ASP 317.A N ALA 314.A O no hydrogen 3.243 N/A ARG 318.A N ALA 314.A O no hydrogen 2.836 N/A ARG 318.A NH2 GLN 106.A OE1 no hydrogen 2.752 N/A ARG 318.A NH2 ASP 107.A OD1 no hydrogen 3.067 N/A GLN 321.A N ASP 107.A OD1 no hydrogen 2.758 N/A ARG 323.A N ASP 395.A OD2 no hydrogen 3.020 N/A ARG 323.A NH1 ILE 396.A O no hydrogen 2.857 N/A ARG 324.A NH1 PRO 320.A O no hydrogen 2.929 N/A ARG 324.A NH1 TYR 322.A O no hydrogen 3.410 N/A ARG 324.A NH2 PRO 320.A O no hydrogen 3.278 N/A ALA 329.A N ASP 326.A O no hydrogen 2.990 N/A VAL 332.A N ASN 413.A O no hydrogen 2.990 N/A LEU 336.A N ALA 418.A O no hydrogen 2.992 N/A LYS 339.A N ASP 407.A OD1 no hydrogen 3.299 N/A LYS 339.A N ASP 407.A OD2 no hydrogen 2.668 N/A GLN 340.A N ASP 407.A OD1 no hydrogen 2.800 N/A GLY 341.A N ASP 407.A OD1 no hydrogen 2.813 N/A ILE 342.A N ILE 367.A O no hydrogen 2.721 N/A VAL 343.A N LEU 405.A O no hydrogen 2.895 N/A PHE 344.A N LEU 365.A O no hydrogen 2.826 N/A GLU 345.A N LEU 403.A O no hydrogen 2.818 N/A ASN 346.A N SER 364.A OG no hydrogen 2.932 N/A VAL 347.A N ILE 363.A O no hydrogen 2.852 N/A HIS 348.A N GLY 401.A O no hydrogen 2.949 N/A HIS 348.A ND1 GLU 358.A OE1 no hydrogen 2.640 N/A PHE 349.A N LEU 360.A O no hydrogen 2.999 N/A ARG 350.A NH1 MET 355.A O no hydrogen 2.723 N/A TYR 351.A OH THR 385.A OG1 no hydrogen 2.659 N/A ARG 354.A N TYR 351.A O no hydrogen 2.993 N/A VAL 357.A N ARG 354.A O no hydrogen 3.004 N/A VAL 359.A N PHE 349.A O no hydrogen 2.897 N/A LEU 360.A N PHE 349.A O no hydrogen 3.076 N/A ARG 361.A N GLY 559.A O no hydrogen 2.957 N/A ARG 361.A NE GLU 358.A O no hydrogen 2.912 N/A GLY 362.A N VAL 347.A O no hydrogen 2.832 N/A ILE 363.A N VAL 347.A O no hydrogen 2.965 N/A LEU 365.A N PHE 344.A O no hydrogen 3.119 N/A ILE 367.A N ILE 342.A O no hydrogen 2.721 N/A ASN 369.A N GLN 340.A O no hydrogen 3.037 N/A GLY 370.A N THR 536.A OG1 no hydrogen 2.771 N/A LYS 371.A N PRO 368.A O no hydrogen 3.340 N/A THR 372.A N ASP 551.A OD1 no hydrogen 2.717 N/A VAL 373.A N SER 537.A O no hydrogen 2.746 N/A ALA 374.A N LEU 552.A O no hydrogen 2.779 N/A ILE 375.A N VAL 539.A O no hydrogen 2.864 N/A VAL 376.A N LEU 554.A O no hydrogen 2.976 N/A LYS 383.A NZ GLY 377.A O no hydrogen 3.245 N/A SER 384.A N GLY 380.A O no hydrogen 3.401 N/A SER 384.A OG GLY 380.A O no hydrogen 3.065 N/A SER 384.A OG ALA 381.A O no hydrogen 2.988 N/A THR 385.A OG1 TYR 351.A OH no hydrogen 2.659 N/A THR 385.A OG1 ALA 381.A O no hydrogen 2.792 N/A ILE 386.A N LYS 383.A O no hydrogen 3.163 N/A GLN 388.A N SER 384.A O no hydrogen 3.251 N/A LEU 389.A N THR 385.A O no hydrogen 2.905 N/A LEU 390.A N ILE 386.A O no hydrogen 2.872 N/A MET 391.A N ILE 387.A O no hydrogen 2.899 N/A ARG 392.A N LEU 389.A O no hydrogen 2.992 N/A ARG 392.A NE ASP 395.A OD1 no hydrogen 3.019 N/A ARG 392.A NH2 ASP 395.A OD1 no hydrogen 3.437 N/A ARG 392.A NH2 ASP 395.A OD2 no hydrogen 2.990 N/A PHE 393.A N GLN 388.A O no hydrogen 2.919 N/A TYR 394.A OH ASP 112.A OD2 no hydrogen 2.617 N/A LEU 403.A N GLU 345.A O no hydrogen 2.991 N/A LEU 405.A N VAL 343.A O no hydrogen 2.868 N/A PHE 406.A N THR 409.A O no hydrogen 2.903 N/A ASP 407.A N GLY 341.A O no hydrogen 2.941 N/A THR 409.A N PHE 406.A O no hydrogen 3.005 N/A ALA 411.A N LEU 404.A O no hydrogen 2.782 N/A TRP 412.A NE1 ASP 326.A OD1 no hydrogen 2.961 N/A TRP 412.A NE1 ASP 326.A OD2 no hydrogen 3.274 N/A ASN 413.A N PRO 410.A O no hydrogen 2.825 N/A TYR 414.A N ALA 411.A O no hydrogen 3.129 N/A TYR 414.A OH PHE 406.A O no hydrogen 2.991 N/A ASP 415.A N VAL 332.A O no hydrogen 2.963 N/A LEU 419.A N PHE 416.A O no hydrogen 3.196 N/A ARG 420.A N PHE 416.A O no hydrogen 2.828 N/A ARG 420.A NE MET 391.A O no hydrogen 2.892 N/A ARG 420.A NH2 MET 391.A O no hydrogen 3.165 N/A ARG 420.A NH2 ARG 392.A O no hydrogen 3.018 N/A SER 421.A N HIS 417.A O no hydrogen 3.102 N/A SER 421.A OG HIS 417.A O no hydrogen 2.666 N/A GLN 422.A N LEU 419.A O no hydrogen 3.094 N/A ILE 423.A N ARG 420.A O no hydrogen 3.295 N/A GLY 424.A N LEU 504.A O no hydrogen 2.849 N/A VAL 426.A N CYS 506.A O no hydrogen 2.817 N/A SER 427.A OG GLU 429.A O no hydrogen 3.129 N/A GLN 428.A NE2 ASP 508.A OD1 no hydrogen 3.228 N/A GLN 428.A NE2 GLU 509.A O no hydrogen 2.889 N/A PHE 433.A N ASN 440.A OD1 no hydrogen 2.736 N/A THR 436.A N ASP 439.A OD2 no hydrogen 3.494 N/A ILE 437.A N THR 475.A O no hydrogen 3.078 N/A ARG 438.A N LEU 473.A O no hydrogen 3.276 N/A ARG 438.A NH1 ASP 450.A OD1 no hydrogen 2.858 N/A ARG 438.A NH2 ASP 474.A OD1 no hydrogen 2.701 N/A ASP 439.A N THR 436.A OG1 no hydrogen 2.767 N/A ASN 440.A N THR 436.A O no hydrogen 3.024 N/A ASN 440.A ND2 PHE 433.A O no hydrogen 2.778 N/A ASN 440.A ND2 THR 436.A O no hydrogen 2.850 N/A ILE 441.A N ILE 437.A O no hydrogen 2.974 N/A LEU 442.A N ARG 438.A O no hydrogen 2.847 N/A TYR 443.A N ASN 440.A O no hydrogen 3.380 N/A GLY 444.A N ILE 441.A O no hydrogen 2.901 N/A LYS 445.A N LEU 442.A O no hydrogen 2.877 N/A LYS 445.A NZ GLU 452.A OE2 no hydrogen 2.769 N/A ARG 446.A NH1 ASP 439.A O no hydrogen 3.426 N/A ALA 448.A N LYS 445.A O no hydrogen 3.210 N/A THR 449.A N GLU 452.A OE1 no hydrogen 2.777 N/A THR 449.A OG1 GLU 452.A OE1 no hydrogen 3.466 N/A GLU 452.A N THR 449.A OG1 no hydrogen 2.977 N/A VAL 453.A N THR 449.A O no hydrogen 3.046 N/A ILE 454.A N ASP 450.A O no hydrogen 2.963 N/A GLN 455.A N GLU 451.A O no hydrogen 3.042 N/A GLN 455.A NE2 GLU 459.A OE1 no hydrogen 3.233 N/A ALA 456.A N GLU 452.A O no hydrogen 2.937 N/A LEU 457.A N VAL 453.A O no hydrogen 2.906 N/A ARG 458.A N ILE 454.A O no hydrogen 2.970 N/A GLU 459.A N GLN 455.A O no hydrogen 3.081 N/A ALA 460.A N ALA 456.A O no hydrogen 2.946 N/A ASN 461.A N ARG 458.A O no hydrogen 2.890 N/A ASN 461.A ND2 LEU 521.A O no hydrogen 2.523 N/A ASN 461.A ND2 GLU 524.A OE1 no hydrogen 2.729 N/A ALA 462.A N LEU 457.A O no hydrogen 2.731 N/A TYR 463.A N LEU 457.A O no hydrogen 3.120 N/A VAL 466.A N ALA 462.A O no hydrogen 3.139 N/A MET 467.A N TYR 463.A O no hydrogen 3.098 N/A ALA 468.A N SER 464.A O no hydrogen 3.137 N/A LEU 469.A N VAL 466.A O no hydrogen 3.168 N/A GLY 472.A N LEU 469.A O no hydrogen 3.082 N/A ASP 474.A N ASP 471.A O no hydrogen 2.890 N/A THR 475.A N GLY 472.A O no hydrogen 3.154 N/A THR 475.A OG1 GLY 472.A O no hydrogen 2.657 N/A VAL 477.A N GLY 435.A O no hydrogen 2.772 N/A GLY 481.A N GLY 478.A O no hydrogen 2.808 N/A LEU 482.A N GLU 476.A O no hydrogen 2.832 N/A SER 485.A N GLN 488.A OE1 no hydrogen 2.692 N/A SER 485.A OG GLN 488.A OE1 no hydrogen 2.924 N/A GLN 488.A N SER 485.A OG no hydrogen 3.196 N/A LYS 489.A N SER 485.A O no hydrogen 2.869 N/A GLN 490.A N GLY 486.A O no hydrogen 2.824 N/A GLN 490.A NE2 SER 510.A OG no hydrogen 2.692 N/A ARG 491.A N GLY 487.A O no hydrogen 3.115 N/A ARG 491.A NH1 SER 518.A OG no hydrogen 2.397 N/A ARG 491.A NH2 SER 518.A OG no hydrogen 2.978 N/A ILE 492.A N GLN 488.A O no hydrogen 3.038 N/A ALA 493.A N LYS 489.A O no hydrogen 3.040 N/A ILE 494.A N GLN 490.A O no hydrogen 3.037 N/A ALA 495.A N ARG 491.A O no hydrogen 2.856 N/A ARG 496.A N ILE 492.A O no hydrogen 2.995 N/A ARG 496.A NE ASN 440.A O no hydrogen 3.122 N/A ARG 496.A NH1 VAL 431.A O no hydrogen 3.025 N/A ARG 496.A NH2 VAL 431.A O no hydrogen 2.800 N/A ARG 496.A NH2 ASN 440.A OD1 no hydrogen 3.405 N/A ALA 497.A N ALA 493.A O no hydrogen 3.028 N/A ILE 498.A N ILE 494.A O no hydrogen 2.829 N/A LEU 499.A N ALA 495.A O no hydrogen 2.945 N/A LYS 500.A N ALA 497.A O no hydrogen 3.162 N/A LYS 500.A NZ ARG 420.A O no hydrogen 2.679 N/A LYS 500.A NZ ILE 423.A O no hydrogen 2.705 N/A HIS 501.A N ILE 498.A O no hydrogen 2.907 N/A THR 503.A N GLN 422.A O no hydrogen 2.764 N/A LEU 504.A N GLN 422.A O no hydrogen 3.083 N/A LEU 505.A N THR 536.A O no hydrogen 2.779 N/A CYS 506.A N GLY 424.A O no hydrogen 2.781 N/A LEU 507.A N VAL 538.A O no hydrogen 2.889 N/A ASP 508.A N VAL 426.A O no hydrogen 2.984 N/A GLU 509.A N ILE 540.A O no hydrogen 3.221 N/A THR 511.A N GLN 428.A OE1 no hydrogen 2.847 N/A THR 511.A OG1 GLN 428.A OE1 no hydrogen 3.279 N/A LEU 514.A N GLU 519.A OE2 no hydrogen 2.957 N/A GLU 519.A N ASP 515.A O no hydrogen 3.080 N/A ALA 520.A N ALA 516.A O no hydrogen 3.440 N/A LEU 521.A N GLU 517.A O no hydrogen 3.404 N/A VAL 522.A N SER 518.A O no hydrogen 2.812 N/A GLN 523.A N GLU 519.A O no hydrogen 2.913 N/A GLU 524.A N ALA 520.A O no hydrogen 3.004 N/A ALA 525.A N LEU 521.A O no hydrogen 3.163 N/A LEU 526.A N VAL 522.A O no hydrogen 2.952 N/A ASP 527.A N GLN 523.A O no hydrogen 2.845 N/A ARG 528.A N GLU 524.A O no hydrogen 2.928 N/A MET 529.A N ALA 525.A O no hydrogen 2.954 N/A MET 530.A N LEU 526.A O no hydrogen 2.872 N/A ALA 531.A N ASP 527.A O no hydrogen 2.836 N/A SER 532.A N MET 529.A O no hydrogen 3.301 N/A THR 536.A N THR 503.A O no hydrogen 3.033 N/A SER 537.A N LYS 371.A O no hydrogen 2.931 N/A VAL 538.A N LEU 505.A O no hydrogen 2.798 N/A VAL 539.A N VAL 373.A O no hydrogen 2.924 N/A ILE 540.A N LEU 507.A O no hydrogen 2.849 N/A HIS 542.A N GLU 509.A OE1 no hydrogen 2.869 N/A ARG 543.A N GLU 509.A OE1 no hydrogen 3.035 N/A THR 546.A OG1 GLU 509.A OE1 no hydrogen 3.554 N/A THR 546.A OG1 GLU 509.A OE2 no hydrogen 2.548 N/A VAL 547.A N ARG 543.A O no hydrogen 3.263 N/A ALA 548.A N LEU 544.A O no hydrogen 2.667 N/A ARG 549.A N SER 545.A O no hydrogen 2.968 N/A ARG 549.A NE SER 545.A O no hydrogen 3.275 N/A ARG 549.A NH1 ASP 527.A OD2 no hydrogen 3.399 N/A ARG 549.A NH2 ASP 527.A OD2 no hydrogen 2.879 N/A ALA 550.A N THR 546.A O no hydrogen 3.118 N/A ASP 551.A N THR 372.A O no hydrogen 2.856 N/A LEU 552.A N THR 372.A O no hydrogen 3.183 N/A ILE 553.A N GLY 565.A O no hydrogen 2.812 N/A LEU 554.A N ALA 374.A O no hydrogen 2.780 N/A VAL 555.A N GLU 563.A O no hydrogen 2.929 N/A MET 556.A N VAL 376.A O no hydrogen 2.799 N/A GLN 557.A N VAL 560.A O no hydrogen 2.980 N/A GLN 557.A NE2 ASP 558.A OD2 no hydrogen 2.897 N/A VAL 560.A N GLN 557.A O no hydrogen 3.253 N/A VAL 562.A N VAL 555.A O no hydrogen 2.878 N/A GLY 565.A N ILE 553.A O no hydrogen 3.148 N/A ASN 566.A N GLU 569.A OE2 no hydrogen 3.297 N/A GLU 569.A N ASN 566.A OD1 no hydrogen 2.807 N/A LEU 570.A N ASN 566.A O no hydrogen 2.980 N/A MET 571.A N HIS 567.A O no hydrogen 2.834 N/A ALA 572.A N SER 568.A O no hydrogen 3.212 N/A GLY 574.A N MET 571.A O no hydrogen 3.210 N/A SER 576.A OG LEU 573.A O no hydrogen 3.437 N/A GLY 577.A N GLY 574.A O no hydrogen 2.863 N/A PHE 578.A N GLU 563.A OE1 no hydrogen 3.335 N/A TYR 579.A N GLU 563.A OE2 no hydrogen 2.679 N/A GLN 581.A N GLY 577.A O no hydrogen 3.185 N/A GLN 581.A NE2 PRO 575.A O no hydrogen 3.458 N/A GLN 581.A NE2 GLY 577.A O no hydrogen 3.094 N/A LEU 582.A N PHE 578.A O no hydrogen 2.967 N/A VAL 583.A N TYR 579.A O no hydrogen 2.807 N/A GLU 584.A N TYR 580.A O no hydrogen 2.849 N/A LYS 585.A N GLN 581.A O no hydrogen 2.846 N/A GLN 586.A N LEU 582.A O no hydrogen 2.796 N/A ALA 588.A N LYS 585.A O no hydrogen 2.569 N/A SER 589.A OG ALA 588.A O no hydrogen 2.320 N/A