Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8tou_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 7.A N THR 3.A O no hydrogen 2.852 N/A GLN 7.A NE2 SER 2.A O no hydrogen 2.887 N/A GLN 7.A NE2 THR 3.A O no hydrogen 3.544 N/A ALA 8.A N ILE 4.A O no hydrogen 2.806 N/A LYS 9.A N GLU 5.A O no hydrogen 2.898 N/A LYS 9.A NZ GLU 5.A OE2 no hydrogen 3.287 N/A THR 10.A N GLU 6.A O no hydrogen 3.028 N/A THR 10.A OG1 GLU 6.A O no hydrogen 2.793 N/A PHE 11.A N GLN 7.A O no hydrogen 2.871 N/A LEU 12.A N ALA 8.A O no hydrogen 2.857 N/A ASP 13.A N LYS 9.A O no hydrogen 3.012 N/A LYS 14.A N THR 10.A O no hydrogen 3.033 N/A PHE 15.A N PHE 11.A O no hydrogen 2.878 N/A ASN 16.A N LEU 12.A O no hydrogen 2.812 N/A ASN 16.A ND2 GLN 79.A OE1 no hydrogen 3.608 N/A HIS 17.A N ASP 13.A O no hydrogen 3.017 N/A GLU 18.A N LYS 14.A O no hydrogen 3.085 N/A ALA 19.A N PHE 15.A O no hydrogen 2.797 N/A GLU 20.A N ASN 16.A O no hydrogen 2.878 N/A ASP 21.A N HIS 17.A O no hydrogen 3.093 N/A LEU 22.A N GLU 18.A O no hydrogen 2.903 N/A PHE 23.A N ALA 19.A O no hydrogen 2.785 N/A TYR 24.A N GLU 20.A O no hydrogen 2.966 N/A TYR 24.A OH ASP 338.A OD2 no hydrogen 3.146 N/A GLN 25.A N ASP 21.A O no hydrogen 3.077 N/A SER 26.A N LEU 22.A O no hydrogen 2.883 N/A SER 26.A OG LEU 22.A O no hydrogen 2.929 N/A SER 27.A N PHE 23.A O no hydrogen 2.869 N/A SER 27.A OG PHE 23.A O no hydrogen 2.708 N/A LEU 28.A N TYR 24.A O no hydrogen 2.979 N/A ALA 29.A N GLN 25.A O no hydrogen 3.092 N/A SER 30.A N SER 26.A O no hydrogen 2.933 N/A TRP 31.A N SER 27.A O no hydrogen 2.867 N/A ASN 32.A N LEU 28.A O no hydrogen 2.964 N/A TYR 33.A N ALA 29.A O no hydrogen 3.039 N/A ASN 34.A N SER 30.A O no hydrogen 2.949 N/A ASN 34.A ND2 SER 30.A O no hydrogen 2.592 N/A THR 35.A N TRP 31.A O no hydrogen 2.911 N/A THR 35.A OG1 TRP 31.A O no hydrogen 3.431 N/A THR 35.A OG1 ASN 32.A O no hydrogen 3.481 N/A ASN 36.A N ASN 32.A O no hydrogen 2.683 N/A ILE 37.A N LYS 324.A O no hydrogen 3.148 N/A ASN 41.A N THR 38.A OG1 no hydrogen 3.261 N/A ASN 41.A ND2 ASN 32.A O no hydrogen 3.343 N/A ASN 41.A ND2 ASN 36.A O no hydrogen 2.855 N/A VAL 42.A N THR 38.A O no hydrogen 2.793 N/A GLN 43.A N GLU 39.A O no hydrogen 2.779 N/A GLN 43.A NE2 GLU 39.A OE2 no hydrogen 2.563 N/A ASN 44.A N GLU 40.A O no hydrogen 3.041 N/A MET 45.A N ASN 41.A O no hydrogen 2.905 N/A ASN 46.A N VAL 42.A O no hydrogen 2.854 N/A ASN 47.A N GLN 43.A O no hydrogen 2.918 N/A ALA 48.A N ASN 44.A O no hydrogen 2.958 N/A GLY 49.A N MET 45.A O no hydrogen 2.861 N/A ASP 50.A N ASN 46.A O no hydrogen 2.949 N/A LYS 51.A N ASN 47.A O no hydrogen 2.968 N/A TRP 52.A N ALA 48.A O no hydrogen 2.875 N/A SER 53.A N GLY 49.A O no hydrogen 2.924 N/A ALA 54.A N ASP 50.A O no hydrogen 2.946 N/A PHE 55.A N LYS 51.A O no hydrogen 2.896 N/A LEU 56.A N TRP 52.A O no hydrogen 2.944 N/A LYS 57.A N SER 53.A O no hydrogen 2.929 N/A GLU 58.A N ALA 54.A O no hydrogen 2.965 N/A GLN 59.A N PHE 55.A O no hydrogen 2.926 N/A SER 60.A N LEU 56.A O no hydrogen 2.857 N/A SER 60.A OG LEU 83.A O no hydrogen 3.129 N/A SER 60.A OG GLN 85.A O no hydrogen 3.311 N/A THR 61.A N LYS 57.A O no hydrogen 2.924 N/A THR 61.A OG1 LYS 57.A O no hydrogen 3.169 N/A LEU 62.A N GLU 58.A O no hydrogen 2.865 N/A ALA 63.A N GLN 59.A O no hydrogen 2.855 N/A GLN 64.A N THR 61.A O no hydrogen 3.350 N/A GLN 64.A NE2 GLN 84.A O no hydrogen 2.820 N/A MET 65.A N LEU 62.A O no hydrogen 3.258 N/A GLU 70.A N PRO 67.A O no hydrogen 3.402 N/A GLN 72.A N GLU 5.A OE1 no hydrogen 2.770 N/A ASN 73.A N GLU 5.A OE2 no hydrogen 3.391 N/A LYS 77.A N ASN 73.A O no hydrogen 3.051 N/A LEU 78.A N LEU 74.A O no hydrogen 2.910 N/A LEU 80.A N VAL 76.A O no hydrogen 2.987 N/A GLN 81.A N LYS 77.A O no hydrogen 2.862 N/A ALA 82.A N LEU 78.A O no hydrogen 2.936 N/A LEU 83.A N GLN 79.A O no hydrogen 2.933 N/A GLN 84.A N LEU 80.A O no hydrogen 2.873 N/A GLN 84.A N GLN 81.A O no hydrogen 3.289 N/A GLN 84.A NE2 ALA 63.A O no hydrogen 2.949 N/A GLN 84.A NE2 TYR 66.A O no hydrogen 3.057 N/A GLN 85.A N ALA 82.A O no hydrogen 3.302 N/A SER 89.A OG ASN 86.A O no hydrogen 2.502 N/A LYS 95.A N SER 92.A OG no hydrogen 3.135 N/A LYS 95.A NZ GLU 172.A OE1 no hydrogen 2.758 N/A LYS 95.A NZ GLU 172.A OE2 no hydrogen 3.367 N/A SER 96.A N SER 92.A O no hydrogen 2.830 N/A SER 96.A OG SER 92.A O no hydrogen 3.121 N/A ARG 98.A N ASP 94.A O no hydrogen 3.011 N/A ARG 98.A NE GLU 165.A OE2 no hydrogen 2.584 N/A ARG 98.A NH2 GLU 165.A OE1 no hydrogen 3.361 N/A ARG 98.A NH2 GLU 165.A OE2 no hydrogen 3.217 N/A LEU 99.A N LYS 95.A O no hydrogen 2.891 N/A ASN 100.A N SER 96.A O no hydrogen 2.938 N/A THR 101.A N LYS 97.A O no hydrogen 2.915 N/A THR 101.A OG1 LYS 97.A O no hydrogen 3.011 N/A ILE 102.A N ARG 98.A O no hydrogen 2.908 N/A LEU 103.A N LEU 99.A O no hydrogen 2.932 N/A ASN 104.A N ASN 100.A O no hydrogen 2.963 N/A THR 105.A N THR 101.A O no hydrogen 2.819 N/A THR 105.A OG1 THR 101.A O no hydrogen 2.837 N/A MET 106.A N ILE 102.A O no hydrogen 2.905 N/A SER 107.A N LEU 103.A O no hydrogen 2.968 N/A THR 108.A N ASN 104.A O no hydrogen 2.889 N/A THR 108.A OG1 ASN 104.A O no hydrogen 3.345 N/A ILE 109.A N THR 105.A O no hydrogen 2.883 N/A TYR 110.A N MET 106.A O no hydrogen 2.954 N/A SER 111.A N SER 107.A O no hydrogen 2.952 N/A THR 112.A N THR 108.A O no hydrogen 2.852 N/A THR 112.A OG1 THR 108.A O no hydrogen 2.597 N/A GLY 113.A N ILE 109.A O no hydrogen 3.053 N/A VAL 115.A N LEU 125.A O no hydrogen 2.910 N/A CYS 116.A SG PRO 121.A O no hydrogen 3.882 N/A ASN 117.A N GLU 123.A O no hydrogen 3.446 N/A ASP 119.A N ASN 117.A OD1 no hydrogen 3.448 N/A ASN 120.A N ASN 117.A O no hydrogen 2.927 N/A GLU 123.A N ASN 120.A OD1 no hydrogen 3.358 N/A CYS 124.A SG PRO 121.A O no hydrogen 3.356 N/A LEU 125.A N VAL 115.A O no hydrogen 2.835 N/A LEU 131.A N LEU 126.A O no hydrogen 2.751 N/A ASN 132.A N LEU 127.A O no hydrogen 3.086 N/A GLU 133.A N PRO 129.A O no hydrogen 2.907 N/A MET 135.A N LEU 131.A O no hydrogen 2.993 N/A ALA 136.A N ASN 132.A O no hydrogen 2.874 N/A ASN 137.A N GLU 133.A O no hydrogen 2.935 N/A SER 138.A N ILE 134.A O no hydrogen 2.802 N/A SER 138.A OG GLU 143.A OE1 no hydrogen 2.474 N/A ASP 140.A N SER 138.A OG no hydrogen 3.222 N/A ASN 142.A N ASP 140.A OD1 no hydrogen 2.820 N/A GLU 143.A N ASP 140.A OD1 no hydrogen 3.118 N/A ARG 144.A N ASP 140.A O no hydrogen 2.950 N/A ARG 144.A NE HIS 248.A O no hydrogen 2.744 N/A ARG 144.A NH1 MET 135.A O no hydrogen 2.917 N/A ARG 144.A NH1 SER 138.A O no hydrogen 3.066 N/A ARG 144.A NH2 MET 135.A O no hydrogen 2.863 N/A ARG 144.A NH2 HIS 248.A O no hydrogen 2.944 N/A LEU 145.A N TYR 141.A O no hydrogen 2.899 N/A TRP 146.A N ASN 142.A O no hydrogen 2.826 N/A ALA 147.A N GLU 143.A O no hydrogen 3.010 N/A TRP 148.A N ARG 144.A O no hydrogen 2.925 N/A GLU 149.A N LEU 145.A O no hydrogen 2.932 N/A SER 150.A N TRP 146.A O no hydrogen 2.753 N/A SER 150.A OG TRP 146.A O no hydrogen 2.784 N/A TRP 151.A N ALA 147.A O no hydrogen 2.923 N/A TRP 151.A NE1 SER 485.A O no hydrogen 3.057 N/A ARG 152.A N TRP 148.A O no hydrogen 3.057 N/A ARG 152.A NH1 TRP 148.A O no hydrogen 3.300 N/A ARG 152.A NH1 MET 253.A O no hydrogen 3.528 N/A ARG 152.A NH2 MET 253.A O no hydrogen 2.895 N/A SER 153.A N GLU 149.A O no hydrogen 2.897 N/A SER 153.A N SER 150.A O no hydrogen 3.257 N/A GLU 154.A N SER 150.A O no hydrogen 2.860 N/A VAL 155.A N TRP 151.A O no hydrogen 3.255 N/A GLY 156.A N TRP 151.A O no hydrogen 3.308 N/A LYS 157.A NZ THR 479.A OG1 no hydrogen 3.008 N/A GLN 158.A NE2 GLU 154.A O no hydrogen 2.975 N/A LEU 159.A N GLY 156.A O no hydrogen 2.877 N/A ARG 160.A N GLY 156.A O no hydrogen 3.076 N/A ARG 160.A NE GLU 164.A OE2 no hydrogen 3.381 N/A ARG 160.A NH1 GLU 478.A OE1 no hydrogen 3.229 N/A ARG 160.A NH1 TYR 480.A O no hydrogen 3.117 N/A ARG 160.A NH2 GLU 164.A OE2 no hydrogen 3.450 N/A ARG 160.A NH2 LYS 453.A O no hydrogen 2.738 N/A TYR 163.A N LEU 159.A O no hydrogen 2.850 N/A GLU 164.A N ARG 160.A O no hydrogen 3.011 N/A GLU 165.A N PRO 161.A O no hydrogen 3.071 N/A TYR 166.A N LEU 162.A O no hydrogen 2.806 N/A TYR 166.A OH ASP 492.A OD1 no hydrogen 2.560 N/A VAL 167.A N TYR 163.A O no hydrogen 2.871 N/A VAL 168.A N GLU 164.A O no hydrogen 3.106 N/A LEU 169.A N GLU 165.A O no hydrogen 2.993 N/A LYS 170.A N TYR 166.A O no hydrogen 2.882 N/A LYS 170.A NZ TYR 182.A OH no hydrogen 3.305 N/A LYS 170.A NZ ASP 492.A OD2 no hydrogen 2.868 N/A ASN 171.A N VAL 167.A O no hydrogen 2.935 N/A ASN 171.A ND2 PHE 447.A O no hydrogen 2.826 N/A GLU 172.A N VAL 168.A O no hydrogen 2.971 N/A MET 173.A N LEU 169.A O no hydrogen 2.966 N/A ALA 174.A N LYS 170.A O no hydrogen 2.903 N/A ARG 175.A N ASN 171.A O no hydrogen 2.927 N/A ARG 175.A NE GLU 180.A O no hydrogen 2.608 N/A ARG 175.A NH2 GLU 180.A O no hydrogen 3.377 N/A ALA 176.A N GLU 172.A O no hydrogen 3.013 N/A ASN 177.A N MET 173.A O no hydrogen 3.280 N/A ASN 177.A N ALA 174.A O no hydrogen 3.153 N/A ASN 177.A ND2 GLY 87.A O no hydrogen 2.467 N/A HIS 178.A N ARG 175.A O no hydrogen 2.876 N/A TYR 179.A N ALA 174.A O no hydrogen 2.989 N/A GLU 180.A N ASP 184.A OD2 no hydrogen 3.350 N/A TYR 182.A N ASN 171.A OD1 no hydrogen 2.621 N/A TYR 182.A OH ASP 492.A OD1 no hydrogen 2.699 N/A TYR 182.A OH ASP 492.A OD2 no hydrogen 3.061 N/A ASP 184.A N ASP 181.A OD1 no hydrogen 3.035 N/A TYR 185.A N ASP 181.A O no hydrogen 2.987 N/A TRP 186.A N TYR 182.A O no hydrogen 2.944 N/A ARG 187.A N GLY 183.A O no hydrogen 2.918 N/A GLY 188.A N ASP 184.A O no hydrogen 2.985 N/A GLY 188.A N TYR 185.A O no hydrogen 3.044 N/A ASP 189.A N TRP 186.A O no hydrogen 3.088 N/A TYR 190.A N ARG 187.A O no hydrogen 3.152 N/A TYR 190.A OH GLU 381.A OE2 no hydrogen 3.099 N/A TYR 190.A OH THR 500.A OG1 no hydrogen 2.798 N/A GLU 191.A N GLY 188.A O no hydrogen 3.025 N/A VAL 192.A N TYR 200.A O no hydrogen 2.927 N/A ASN 193.A ND2 GLU 191.A OE2 no hydrogen 3.246 N/A GLY 194.A N ASP 199.A OD2 no hydrogen 3.141 N/A VAL 195.A N ASP 199.A OD1 no hydrogen 2.856 N/A TYR 198.A N VAL 195.A O no hydrogen 3.323 N/A TYR 198.A OH GLU 554.A OE1 no hydrogen 2.773 N/A TYR 198.A OH GLU 554.A OE2 no hydrogen 3.305 N/A ASP 199.A N ASP 196.A O no hydrogen 3.343 N/A TYR 200.A N VAL 192.A O no hydrogen 3.304 N/A TYR 200.A OH ASP 208.A OD2 no hydrogen 2.590 N/A ARG 202.A NE ASP 184.A OD1 no hydrogen 2.990 N/A ARG 202.A NE ASP 184.A OD2 no hydrogen 3.057 N/A ARG 202.A NH1 GLU 191.A OE1 no hydrogen 3.029 N/A ARG 202.A NH2 ASP 184.A OD2 no hydrogen 2.887 N/A GLN 204.A N SER 201.A O no hydrogen 2.972 N/A GLN 204.A NE2 ASP 208.A OD2 no hydrogen 2.927 N/A LEU 205.A N ARG 202.A O no hydrogen 3.367 N/A ASP 208.A N GLN 204.A O no hydrogen 2.975 N/A VAL 209.A N LEU 205.A O no hydrogen 2.857 N/A GLU 210.A N ILE 206.A O no hydrogen 2.964 N/A HIS 211.A N GLU 207.A O no hydrogen 2.883 N/A THR 212.A N ASP 208.A O no hydrogen 2.900 N/A THR 212.A OG1 ASP 208.A O no hydrogen 2.451 N/A THR 212.A OG1 VAL 209.A O no hydrogen 2.789 N/A THR 212.A OG1 TYR 499.A OH no hydrogen 2.647 N/A PHE 213.A N VAL 209.A O no hydrogen 2.892 N/A GLU 214.A N GLU 210.A O no hydrogen 3.035 N/A GLU 215.A N THR 212.A O no hydrogen 3.243 N/A LYS 217.A N PHE 213.A O no hydrogen 2.969 N/A LYS 217.A N GLU 214.A O no hydrogen 3.066 N/A LYS 217.A NZ GLU 214.A OE2 no hydrogen 3.521 N/A TYR 220.A N ILE 216.A O no hydrogen 2.983 N/A TYR 220.A OH VAL 468.A O no hydrogen 2.438 N/A GLU 221.A N LYS 217.A O no hydrogen 2.841 N/A HIS 222.A N PRO 218.A O no hydrogen 3.021 N/A LEU 223.A N LEU 219.A O no hydrogen 2.890 N/A HIS 224.A N TYR 220.A O no hydrogen 2.794 N/A HIS 224.A NE2 GLY 469.A O no hydrogen 2.916 N/A ALA 225.A N GLU 221.A O no hydrogen 2.931 N/A TYR 226.A N HIS 222.A O no hydrogen 2.962 N/A TYR 226.A OH THR 265.A O no hydrogen 2.515 N/A VAL 227.A N LEU 223.A O no hydrogen 2.881 N/A ARG 228.A N HIS 224.A O no hydrogen 2.818 N/A ARG 228.A NH1 GLY 243.A O no hydrogen 3.241 N/A ARG 228.A NH1 GLY 588.A O no hydrogen 2.587 N/A ARG 228.A NH2 PHE 586.A O no hydrogen 3.220 N/A ARG 228.A NH2 GLY 588.A O no hydrogen 2.924 N/A ALA 229.A N ALA 225.A O no hydrogen 2.942 N/A LYS 230.A N TYR 226.A O no hydrogen 2.952 N/A LYS 230.A NZ VAL 266.A O no hydrogen 3.360 N/A LEU 231.A N VAL 227.A O no hydrogen 2.807 N/A MET 232.A N ARG 228.A O no hydrogen 2.946 N/A ASN 233.A N ALA 229.A O no hydrogen 3.354 N/A ALA 234.A N LEU 231.A O no hydrogen 3.227 N/A TYR 235.A N LEU 231.A O no hydrogen 2.804 N/A TYR 238.A N TYR 235.A O no hydrogen 3.338 N/A ILE 242.A N SER 240.A OG no hydrogen 3.225 N/A GLY 243.A N SER 240.A O no hydrogen 3.337 N/A CYS 244.A SG ARG 465.A O no hydrogen 3.610 N/A CYS 244.A SG SER 590.A O no hydrogen 3.260 N/A LEU 245.A N GLY 469.A O no hydrogen 3.041 N/A ALA 247.A N VAL 471.A O no hydrogen 3.015 N/A LEU 249.A N PRO 246.A O no hydrogen 3.205 N/A TRP 254.A N ASP 252.A OD1 no hydrogen 3.094 N/A TRP 254.A NE1 SER 485.A O no hydrogen 3.033 N/A GLY 255.A N ASP 252.A OD1 no hydrogen 2.462 N/A ARG 256.A N ASP 252.A OD1 no hydrogen 2.981 N/A PHE 257.A N ASP 252.A OD2 no hydrogen 3.153 N/A TRP 258.A N LEU 427.A O no hydrogen 3.250 N/A THR 259.A OG1 THR 428.A OG1 no hydrogen 2.462 N/A ASN 260.A ND2 GLY 251.A O no hydrogen 2.840 N/A LEU 261.A N TRP 258.A O no hydrogen 3.344 N/A TYR 262.A N THR 259.A O no hydrogen 3.220 N/A LEU 264.A N LEU 261.A O no hydrogen 2.928 N/A THR 265.A N LEU 261.A O no hydrogen 2.870 N/A THR 265.A OG1 LEU 261.A O no hydrogen 2.772 N/A VAL 266.A N TYR 262.A O no hydrogen 2.683 N/A PHE 268.A N ASN 420.A OD1 no hydrogen 3.007 N/A ASP 275.A N ASN 273.A OD1 no hydrogen 2.829 N/A THR 277.A N ASP 275.A OD1 no hydrogen 2.997 N/A THR 277.A OG1 ASP 275.A OD1 no hydrogen 2.485 N/A MET 280.A N VAL 276.A O no hydrogen 2.498 N/A VAL 281.A N THR 277.A O no hydrogen 2.982 N/A VAL 281.A N ASP 278.A O no hydrogen 3.118 N/A ASP 282.A N ASP 278.A O no hydrogen 2.968 N/A GLN 283.A N ALA 279.A O no hydrogen 3.028 N/A GLN 283.A NE2 GLY 405.A O no hydrogen 2.322 N/A ALA 284.A N VAL 281.A O no hydrogen 3.284 N/A TRP 285.A N MET 280.A O no hydrogen 3.181 N/A ARG 289.A NE GLU 293.A OE1 no hydrogen 2.965 N/A ARG 289.A NH2 GLU 293.A OE1 no hydrogen 3.435 N/A ILE 290.A N ASP 286.A O no hydrogen 3.286 N/A PHE 291.A N ALA 287.A O no hydrogen 3.027 N/A LYS 292.A N GLN 288.A O no hydrogen 2.929 N/A LYS 292.A NZ GLU 295.A OE1 no hydrogen 3.272 N/A GLU 293.A N ARG 289.A O no hydrogen 2.922 N/A ALA 294.A N ILE 290.A O no hydrogen 3.084 N/A GLU 295.A N PHE 291.A O no hydrogen 2.941 N/A LYS 296.A N LYS 292.A O no hydrogen 2.979 N/A PHE 297.A N GLU 293.A O no hydrogen 3.004 N/A PHE 298.A N ALA 294.A O no hydrogen 2.998 N/A VAL 299.A N GLU 295.A O no hydrogen 2.914 N/A SER 300.A N LYS 296.A O no hydrogen 2.958 N/A SER 300.A OG PHE 297.A O no hydrogen 2.779 N/A VAL 301.A N PHE 298.A O no hydrogen 3.253 N/A GLY 302.A N VAL 299.A O no hydrogen 2.960 N/A LEU 303.A N PHE 298.A O no hydrogen 3.228 N/A MET 306.A N GLU 295.A OE2 no hydrogen 3.056 N/A PHE 310.A N THR 307.A O no hydrogen 2.917 N/A PHE 310.A N THR 307.A OG1 no hydrogen 2.999 N/A TRP 311.A N THR 307.A O no hydrogen 3.360 N/A GLU 312.A N GLN 308.A O no hydrogen 2.946 N/A ASN 313.A N GLY 309.A O no hydrogen 2.881 N/A SER 314.A N PHE 310.A O no hydrogen 3.007 N/A SER 314.A OG PHE 310.A O no hydrogen 2.729 N/A VAL 326.A N ASN 34.A O no hydrogen 2.875 N/A CYS 327.A SG ASP 318.A OD2 no hydrogen 3.594 N/A HIS 328.A NE2 GLU 128.A OE2 no hydrogen 2.649 N/A THR 330.A N LEU 342.A O no hydrogen 2.907 N/A THR 330.A OG1 HIS 328.A O no hydrogen 3.246 N/A TRP 332.A N ARG 340.A O no hydrogen 2.833 N/A TRP 332.A NE1 THR 330.A OG1 no hydrogen 3.053 N/A LEU 334.A N ASP 338.A O no hydrogen 3.024 N/A LYS 336.A NZ ASP 21.A OD1 no hydrogen 2.702 N/A ASP 338.A N GLY 335.A O no hydrogen 3.104 N/A ARG 340.A N TRP 332.A O no hydrogen 2.921 N/A ARG 340.A NE ASP 338.A OD1 no hydrogen 2.769 N/A ARG 340.A NE ASP 338.A OD2 no hydrogen 3.390 N/A ARG 340.A NH2 ASP 338.A OD1 no hydrogen 3.497 N/A ARG 340.A NH2 ASP 338.A OD2 no hydrogen 2.498 N/A ILE 341.A N SER 314.A OG no hydrogen 3.065 N/A LEU 342.A N THR 330.A O no hydrogen 2.891 N/A MET 343.A N MET 315.A O no hydrogen 3.188 N/A THR 345.A N LEU 316.A O no hydrogen 3.366 N/A THR 345.A OG1 LEU 316.A O no hydrogen 2.623 N/A THR 345.A OG1 MET 343.A O no hydrogen 3.280 N/A LYS 346.A N ASP 351.A OD2 no hydrogen 3.005 N/A THR 348.A N LYS 346.A O no hydrogen 2.981 N/A MET 349.A N THR 277.A OG1 no hydrogen 2.992 N/A PHE 352.A N THR 348.A O no hydrogen 2.998 N/A LEU 353.A N MET 349.A O no hydrogen 2.936 N/A THR 354.A N ASP 350.A O no hydrogen 2.897 N/A THR 354.A OG1 ASP 350.A O no hydrogen 2.944 N/A ALA 355.A N ASP 351.A O no hydrogen 2.822 N/A HIS 356.A N PHE 352.A O no hydrogen 3.111 N/A HIS 356.A ND1 PHE 352.A O no hydrogen 2.983 N/A HIS 357.A N LEU 353.A O no hydrogen 2.953 N/A HIS 357.A NE2 GLU 385.A OE2 no hydrogen 2.703 N/A GLU 358.A N THR 354.A O no hydrogen 2.815 N/A MET 359.A N ALA 355.A O no hydrogen 2.951 N/A GLY 360.A N HIS 356.A O no hydrogen 2.920 N/A HIS 361.A N HIS 357.A O no hydrogen 3.051 N/A HIS 361.A ND1 HIS 384.A ND1 no hydrogen 3.196 N/A HIS 361.A NE2 HIS 357.A NE2 no hydrogen 2.996 N/A HIS 361.A NE2 GLU 385.A OE2 no hydrogen 3.109 N/A ILE 362.A N GLU 358.A O no hydrogen 3.052 N/A GLN 363.A N MET 359.A O no hydrogen 2.890 N/A GLN 363.A NE2 PRO 304.A O no hydrogen 3.264 N/A TYR 364.A N GLY 360.A O no hydrogen 2.988 N/A ASP 365.A N HIS 361.A O no hydrogen 2.972 N/A MET 366.A N ILE 362.A O no hydrogen 2.878 N/A ALA 367.A N GLN 363.A O no hydrogen 2.908 N/A TYR 368.A N TYR 364.A O no hydrogen 3.055 N/A TYR 368.A OH HIS 384.A NE2 no hydrogen 3.009 N/A ALA 369.A N MET 366.A O no hydrogen 3.489 N/A GLN 371.A N TYR 368.A O no hydrogen 3.064 N/A GLN 371.A NE2 ARG 542.A O no hydrogen 3.272 N/A LEU 375.A N PRO 372.A O no hydrogen 2.899 N/A ARG 376.A N PHE 373.A O no hydrogen 3.047 N/A ASN 377.A ND2 LEU 374.A O no hydrogen 2.933 N/A ASN 380.A ND2 TYR 504.A OH no hydrogen 2.848 N/A GLU 381.A N ASP 189.A OD2 no hydrogen 2.584 N/A GLY 382.A N ASN 380.A OD1 no hydrogen 2.555 N/A PHE 383.A N ASN 380.A O no hydrogen 3.218 N/A HIS 384.A ND1 HIS 361.A ND1 no hydrogen 3.196 N/A HIS 384.A NE2 TYR 368.A OH no hydrogen 3.009 N/A ALA 386.A N GLY 382.A O no hydrogen 2.916 N/A VAL 387.A N PHE 383.A O no hydrogen 2.918 N/A GLY 388.A N HIS 384.A O no hydrogen 2.976 N/A GLU 389.A N GLU 385.A O no hydrogen 2.923 N/A ILE 390.A N ALA 386.A O no hydrogen 3.065 N/A SER 392.A OG GLY 388.A O no hydrogen 3.553 N/A SER 392.A OG GLU 389.A O no hydrogen 2.571 N/A LEU 393.A N GLU 389.A O no hydrogen 2.909 N/A SER 394.A N ILE 390.A O no hydrogen 2.999 N/A ALA 395.A N MET 391.A O no hydrogen 2.821 N/A ALA 396.A N SER 392.A O no hydrogen 2.830 N/A THR 397.A N SER 394.A O no hydrogen 3.279 N/A THR 397.A OG1 SER 394.A O no hydrogen 2.856 N/A LYS 399.A NZ LYS 524.A O no hydrogen 3.461 N/A HIS 400.A N THR 397.A OG1 no hydrogen 3.332 N/A HIS 400.A ND1 ASP 526.A OD2 no hydrogen 2.654 N/A LEU 401.A N THR 397.A O no hydrogen 2.966 N/A LYS 402.A N PRO 398.A O no hydrogen 2.845 N/A SER 403.A N LYS 399.A O no hydrogen 2.939 N/A SER 403.A OG HIS 400.A O no hydrogen 3.143 N/A ILE 404.A N HIS 400.A O no hydrogen 3.083 N/A GLY 405.A N LYS 402.A O no hydrogen 2.902 N/A LEU 406.A N LEU 401.A O no hydrogen 2.869 N/A LEU 407.A N LEU 401.A O no hydrogen 3.135 N/A ASP 414.A N THR 417.A OG1 no hydrogen 3.229 N/A THR 417.A N ASP 414.A OD1 no hydrogen 2.521 N/A THR 417.A OG1 ASP 414.A O no hydrogen 3.310 N/A THR 417.A OG1 ASP 414.A OD1 no hydrogen 3.306 N/A GLU 418.A N ASP 414.A O no hydrogen 3.175 N/A ILE 419.A N ASN 415.A O no hydrogen 2.978 N/A ASN 420.A N GLU 416.A O no hydrogen 2.855 N/A ASN 420.A ND2 PHE 268.A O no hydrogen 2.985 N/A PHE 421.A N THR 417.A O no hydrogen 2.895 N/A LEU 422.A N GLU 418.A O no hydrogen 2.962 N/A LEU 423.A N ILE 419.A O no hydrogen 2.926 N/A LYS 424.A N ASN 420.A O no hydrogen 3.019 N/A GLN 425.A N PHE 421.A O no hydrogen 2.958 N/A GLN 425.A NE2 TYR 570.A OH no hydrogen 3.445 N/A ALA 426.A N LEU 422.A O no hydrogen 2.885 N/A LEU 427.A N LEU 423.A O no hydrogen 2.853 N/A THR 428.A N LYS 424.A O no hydrogen 3.038 N/A THR 428.A OG1 THR 259.A OG1 no hydrogen 2.462 N/A ILE 429.A N GLN 425.A O no hydrogen 2.727 N/A VAL 430.A N ALA 426.A O no hydrogen 2.887 N/A GLY 431.A N ALA 426.A O no hydrogen 2.966 N/A THR 432.A OG1 ARG 256.A O no hydrogen 2.786 N/A LEU 433.A N VAL 430.A O no hydrogen 3.227 N/A THR 436.A N THR 432.A O no hydrogen 2.877 N/A THR 436.A OG1 THR 432.A O no hydrogen 2.604 N/A TYR 437.A N LEU 433.A O no hydrogen 2.915 N/A MET 438.A N PRO 434.A O no hydrogen 2.889 N/A LEU 439.A N PHE 435.A O no hydrogen 2.965 N/A GLU 440.A N THR 436.A O no hydrogen 2.949 N/A LYS 441.A N TYR 437.A O no hydrogen 2.855 N/A LYS 441.A NZ GLU 210.A OE2 no hydrogen 3.429 N/A TRP 442.A N MET 438.A O no hydrogen 2.924 N/A TRP 442.A NE1 TRP 456.A O no hydrogen 3.290 N/A ARG 443.A N LEU 439.A O no hydrogen 2.984 N/A ARG 443.A NH1 GLU 440.A OE1 no hydrogen 2.920 N/A ARG 443.A NH1 TYR 493.A O no hydrogen 3.085 N/A ARG 443.A NH2 TYR 493.A O no hydrogen 2.544 N/A TRP 444.A N GLU 440.A O no hydrogen 2.843 N/A MET 445.A N LYS 441.A O no hydrogen 2.899 N/A VAL 446.A N TRP 442.A O no hydrogen 2.907 N/A PHE 447.A N ARG 443.A O no hydrogen 2.897 N/A LYS 448.A N TRP 444.A O no hydrogen 3.057 N/A LYS 448.A NZ GLU 450.A OE2 no hydrogen 3.478 N/A GLY 449.A N VAL 446.A O no hydrogen 3.034 N/A GLU 450.A N MET 445.A O no hydrogen 2.931 N/A GLN 455.A N PRO 452.A O no hydrogen 3.252 N/A GLN 455.A NE2 ASP 454.A OD1 no hydrogen 3.150 N/A TRP 456.A N LYS 453.A O no hydrogen 3.328 N/A MET 457.A N GLU 478.A OE1 no hydrogen 2.844 N/A LYS 459.A N GLN 455.A O no hydrogen 3.240 N/A TRP 460.A N TRP 456.A O no hydrogen 2.918 N/A TRP 461.A N MET 457.A O no hydrogen 2.988 N/A TRP 461.A NE1 ASP 482.A OD2 no hydrogen 2.740 N/A GLU 462.A N LYS 458.A O no hydrogen 2.914 N/A MET 463.A N LYS 459.A O no hydrogen 2.900 N/A LYS 464.A N TRP 460.A O no hydrogen 2.909 N/A ARG 465.A N TRP 461.A O no hydrogen 2.898 N/A ARG 465.A NH1 THR 591.A O no hydrogen 2.717 N/A ARG 465.A NH2 GLU 472.A OE2 no hydrogen 2.729 N/A GLU 466.A N GLU 462.A O no hydrogen 2.904 N/A ILE 467.A N MET 463.A O no hydrogen 2.833 N/A VAL 468.A N LYS 464.A O no hydrogen 2.941 N/A VAL 470.A N LYS 464.A O no hydrogen 3.424 N/A VAL 471.A N LEU 245.A O no hydrogen 3.088 N/A GLU 472.A N GLU 472.A OE1 no hydrogen 2.520 N/A HIS 476.A ND1 ASP 482.A OD1 no hydrogen 3.055 N/A HIS 476.A ND1 ASP 482.A OD2 no hydrogen 2.537 N/A HIS 476.A NE2 GLU 149.A OE1 no hydrogen 2.837 N/A THR 479.A OG1 ASP 477.A OD1 no hydrogen 2.500 N/A TYR 480.A N ASP 477.A O no hydrogen 2.980 N/A TYR 480.A OH GLU 149.A OE2 no hydrogen 2.667 N/A SER 485.A N ASP 482.A O no hydrogen 2.920 N/A SER 485.A OG ASP 482.A O no hydrogen 2.585 N/A LEU 486.A N PRO 483.A O no hydrogen 3.224 N/A VAL 489.A N LEU 486.A O no hydrogen 3.226 N/A SER 490.A N LEU 486.A O no hydrogen 3.365 N/A SER 490.A OG ALA 484.A O no hydrogen 3.366 N/A SER 490.A OG LEU 486.A O no hydrogen 3.341 N/A SER 490.A OG ASN 491.A OD1 no hydrogen 3.282 N/A ASN 491.A N PHE 487.A O no hydrogen 2.866 N/A ASP 492.A N VAL 489.A O no hydrogen 3.453 N/A TYR 493.A N HIS 488.A O no hydrogen 2.990 N/A SER 494.A OG GLU 381.A OE1 no hydrogen 2.650 N/A PHE 495.A N GLU 440.A OE2 no hydrogen 2.823 N/A ILE 496.A N GLU 440.A OE2 no hydrogen 2.591 N/A ARG 497.A NE SER 494.A O no hydrogen 3.422 N/A ARG 497.A NH2 SER 494.A O no hydrogen 3.217 N/A TYR 498.A N PHE 495.A O no hydrogen 3.279 N/A TYR 498.A OH HIS 488.A NE2 no hydrogen 3.186 N/A TYR 499.A OH THR 212.A OG1 no hydrogen 2.647 N/A THR 500.A N ILE 496.A O no hydrogen 3.058 N/A THR 500.A OG1 TYR 190.A OH no hydrogen 2.798 N/A THR 500.A OG1 ARG 497.A O no hydrogen 3.072 N/A ARG 501.A N ARG 497.A O no hydrogen 2.830 N/A THR 502.A N TYR 498.A O no hydrogen 3.133 N/A THR 502.A OG1 TYR 498.A O no hydrogen 2.465 N/A LEU 503.A N TYR 499.A O no hydrogen 3.225 N/A TYR 504.A N THR 500.A O no hydrogen 2.971 N/A GLN 505.A N ARG 501.A O no hydrogen 2.891 N/A PHE 506.A N LEU 503.A O no hydrogen 3.064 N/A GLN 507.A N LEU 503.A O no hydrogen 3.276 N/A GLN 507.A NE2 ASN 561.A O no hydrogen 3.037 N/A PHE 508.A N TYR 504.A O no hydrogen 2.683 N/A GLN 509.A N GLN 505.A O no hydrogen 2.650 N/A GLU 510.A N PHE 506.A O no hydrogen 2.798 N/A ALA 511.A N GLN 507.A O no hydrogen 3.321 N/A LEU 512.A N PHE 508.A O no hydrogen 2.904 N/A CYS 513.A N GLN 509.A O no hydrogen 3.008 N/A CYS 513.A SG GLN 509.A O no hydrogen 2.923 N/A GLN 514.A N GLU 510.A O no hydrogen 3.087 N/A ALA 515.A N ALA 511.A O no hydrogen 3.111 N/A ALA 516.A N LEU 512.A O no hydrogen 2.744 N/A LYS 517.A N GLN 514.A O no hydrogen 2.967 N/A HIS 518.A N CYS 513.A O no hydrogen 2.856 N/A LYS 524.A N PRO 521.A O no hydrogen 2.977 N/A LYS 524.A NZ GLU 413.A OE1 no hydrogen 3.518 N/A CYS 525.A N LEU 522.A O no hydrogen 3.318 N/A ILE 527.A N SER 394.A OG no hydrogen 3.178 N/A SER 528.A N ASP 526.A OD1 no hydrogen 2.689 N/A SER 528.A OG HIS 400.A ND1 no hydrogen 3.231 N/A SER 528.A OG ASP 526.A OD1 no hydrogen 2.572 N/A SER 528.A OG ASP 526.A OD2 no hydrogen 3.231 N/A ASN 529.A N SER 300.A OG no hydrogen 3.015 N/A ALA 533.A N SER 530.A OG no hydrogen 3.400 N/A GLY 534.A N SER 530.A O no hydrogen 3.162 N/A GLN 535.A N THR 531.A O no hydrogen 2.800 N/A GLN 535.A NE2 ASN 539.A OD1 no hydrogen 2.711 N/A LYS 536.A N GLU 532.A O no hydrogen 3.041 N/A LYS 536.A NZ VAL 556.A O no hydrogen 3.137 N/A LEU 537.A N ALA 533.A O no hydrogen 2.913 N/A PHE 538.A N GLY 534.A O no hydrogen 2.839 N/A ASN 539.A N GLN 535.A O no hydrogen 3.013 N/A MET 540.A N LEU 537.A O no hydrogen 2.911 N/A LEU 541.A N LEU 537.A O no hydrogen 2.952 N/A ARG 542.A N PHE 538.A O no hydrogen 2.940 N/A GLY 544.A N LEU 541.A O no hydrogen 2.976 N/A LYS 545.A N LEU 375.A O no hydrogen 3.127 N/A SER 546.A N LEU 543.A O no hydrogen 3.126 N/A SER 546.A OG LEU 543.A O no hydrogen 3.177 N/A TRP 549.A NE1 TYR 190.A O no hydrogen 2.864 N/A THR 550.A OG1 TYR 198.A O no hydrogen 2.759 N/A ALA 552.A N PRO 548.A O no hydrogen 2.753 N/A LEU 553.A N TRP 549.A O no hydrogen 2.877 N/A GLU 554.A N THR 550.A O no hydrogen 2.940 N/A ASN 555.A N LEU 551.A O no hydrogen 2.874 N/A ASN 555.A ND2 GLU 547.A OE2 no hydrogen 2.598 N/A VAL 556.A N LEU 553.A O no hydrogen 2.971 N/A VAL 557.A N LEU 553.A O no hydrogen 2.924 N/A GLY 558.A N GLU 554.A O no hydrogen 2.889 N/A ASN 561.A ND2 ASP 208.A OD2 no hydrogen 2.752 N/A MET 562.A N ASN 561.A OD1 no hydrogen 2.688 N/A ASN 563.A N GLN 507.A OE1 no hydrogen 3.101 N/A ARG 565.A N ASN 563.A OD1 no hydrogen 2.981 N/A ARG 565.A NH1 ASN 569.A OD1 no hydrogen 3.266 N/A LEU 568.A N VAL 564.A O no hydrogen 3.236 N/A ASN 569.A N ARG 565.A O no hydrogen 3.079 N/A TYR 570.A N PRO 566.A O no hydrogen 2.872 N/A PHE 571.A N LEU 568.A O no hydrogen 3.188 N/A GLU 572.A N ASN 569.A O no hydrogen 3.387 N/A PHE 575.A N PHE 571.A O no hydrogen 2.837 N/A THR 576.A N GLU 572.A O no hydrogen 3.000 N/A THR 576.A OG1 GLU 572.A O no hydrogen 3.287 N/A TRP 577.A N PRO 573.A O no hydrogen 2.973 N/A LEU 578.A N LEU 574.A O no hydrogen 2.841 N/A LYS 579.A N PHE 575.A O no hydrogen 2.972 N/A ASP 580.A N THR 576.A O no hydrogen 3.037 N/A GLN 581.A N TRP 577.A O no hydrogen 2.875 N/A ASN 582.A N LEU 578.A O no hydrogen 2.897 N/A ASN 582.A ND2 HIS 222.A ND1 no hydrogen 2.887 N/A ASN 582.A ND2 HIS 222.A O no hydrogen 3.218 N/A LYS 583.A N ASP 580.A O no hydrogen 3.217 N/A LYS 583.A NZ ASP 580.A OD1 no hydrogen 3.133 N/A SER 585.A N ASN 582.A O no hydrogen 2.716 N/A SER 590.A N ILE 242.A O no hydrogen 2.718 N/A THR 591.A OG1 ASP 592.A OD1 no hydrogen 3.056 N/A ASP 592.A N SER 590.A OG no hydrogen 3.044 N/A TYR 596.A OH GLU 472.A OE2 no hydrogen 2.815 N/A ALA 597.A N SER 594.A O no hydrogen 3.215 N/A ALA 597.A N SER 594.A OG no hydrogen 2.955 N/A HIS 603.A N HIS 601.A O no hydrogen 2.724 N/A SER 610.A N HIS 607.A O no hydrogen 3.261 N/A LEU 612.A N HIS 609.A O no hydrogen 3.414 N/A ILE 615.A N GLY 611.A O no hydrogen 2.646 N/A PHE 616.A N LEU 612.A O no hydrogen 2.845 N/A GLU 617.A N ASN 613.A O no hydrogen 3.071 N/A ALA 618.A N ASP 614.A O no hydrogen 2.801 N/A GLN 619.A N ILE 615.A O no hydrogen 2.900 N/A LYS 620.A N PHE 616.A O no hydrogen 2.996 N/A ILE 621.A N GLU 617.A O no hydrogen 3.000 N/A GLU 622.A N ALA 618.A O no hydrogen 2.807 N/A TRP 623.A N GLN 619.A O no hydrogen 3.138 N/A HIS 624.A N ILE 621.A O no hydrogen 3.272 N/A GLU 625.A N GLU 625.A OE1 no hydrogen 2.712 N/A