Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8j9d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 ASP 82.A OD1 no hydrogen 2.701 N/A GLN 6.A N GLY 134.A O no hydrogen 2.970 N/A VAL 8.A N GLN 6.A O no hydrogen 2.922 N/A LEU 14.A N LYS 141.A O no hydrogen 2.751 N/A LYS 15.A N THR 33.A O no hydrogen 2.799 N/A ILE 16.A N GLN 143.A O no hydrogen 3.033 N/A ASP 17.A N LYS 31.A O no hydrogen 2.818 N/A VAL 18.A N SER 145.A O no hydrogen 2.923 N/A ASP 19.A N LYS 29.A O no hydrogen 2.723 N/A ALA 20.A N THR 147.A O no hydrogen 2.901 N/A THR 21.A N ASP 19.A OD2 no hydrogen 2.893 N/A THR 21.A OG1 ASP 19.A OD2 no hydrogen 2.513 N/A LEU 23.A N THR 21.A O no hydrogen 2.857 N/A HIS 25.A N ASP 22.A OD1 no hydrogen 3.070 N/A HIS 25.A ND1 ASP 22.A OD2 no hydrogen 2.757 N/A ARG 26.A NH1 PRO 106.A O no hydrogen 3.180 N/A ILE 27.A N ASP 22.A O no hydrogen 3.063 N/A PHE 28.A N PHE 103.A O no hydrogen 2.990 N/A LYS 29.A N ASP 19.A O no hydrogen 2.946 N/A VAL 30.A N PHE 101.A O no hydrogen 2.823 N/A LYS 31.A N ASP 17.A O no hydrogen 2.835 N/A THR 32.A N ALA 99.A O no hydrogen 2.791 N/A THR 32.A OG1 ALA 99.A O no hydrogen 3.165 N/A THR 33.A N LYS 15.A O no hydrogen 2.829 N/A MET 34.A N LEU 97.A O no hydrogen 2.967 N/A ALA 36.A N SER 95.A O no hydrogen 2.842 N/A GLY 39.A N VAL 90.A O no hydrogen 2.817 N/A MET 41.A N VAL 88.A O no hydrogen 2.931 N/A LEU 43.A N PHE 86.A O no hydrogen 2.752 N/A LEU 44.A N TYR 131.A O no hydrogen 2.739 N/A TYR 45.A N TYR 84.A O no hydrogen 2.969 N/A TYR 45.A OH THR 127.A O no hydrogen 2.710 N/A GLN 47.A N PHE 308.A O no hydrogen 2.916 N/A TRP 48.A N PHE 308.A O no hydrogen 2.781 N/A ASN 52.A N ILE 49.A O no hydrogen 2.871 N/A HIS 53.A NE2 GLU 321.A OE2 no hydrogen 3.042 N/A SER 54.A OG ASN 52.A O no hydrogen 2.830 N/A THR 56.A N SER 54.A O no hydrogen 2.886 N/A THR 56.A OG1 ASN 52.A OD1 no hydrogen 2.853 N/A GLY 57.A N GLN 47.A O no hydrogen 2.898 N/A ILE 59.A N GLY 57.A O no hydrogen 2.904 N/A LYS 61.A N PRO 58.A O no hydrogen 2.905 N/A LYS 61.A NZ GLN 111.A O no hydrogen 2.953 N/A LEU 62.A N ILE 59.A O no hydrogen 3.191 N/A ALA 63.A N LYS 102.A O no hydrogen 2.934 N/A VAL 66.A N GLU 100.A O no hydrogen 2.861 N/A LYS 68.A N VAL 98.A O no hydrogen 2.726 N/A VAL 69.A N LYS 72.A O no hydrogen 2.848 N/A LYS 72.A N VAL 69.A O no hydrogen 2.962 N/A VAL 74.A N ILE 67.A O no hydrogen 2.884 N/A TRP 76.A NE1 LEU 65.A O no hydrogen 3.104 N/A THR 77.A N LYS 87.A O no hydrogen 2.977 N/A ARG 78.A NH1 VAL 83.A O no hydrogen 2.992 N/A ASP 79.A N ALA 85.A O no hydrogen 3.042 N/A PHE 81.A N ASP 79.A OD2 no hydrogen 2.930 N/A ASP 82.A N ASP 79.A O no hydrogen 2.888 N/A TYR 84.A OH GLY 57.A O no hydrogen 2.574 N/A ALA 85.A N ASP 82.A O no hydrogen 2.956 N/A PHE 86.A N LEU 43.A O no hydrogen 2.833 N/A LYS 87.A N THR 77.A O no hydrogen 2.803 N/A VAL 88.A N MET 41.A O no hydrogen 2.886 N/A VAL 90.A N GLY 39.A O no hydrogen 2.801 N/A ALA 94.A N PRO 91.A O no hydrogen 3.297 N/A LEU 97.A N MET 34.A O no hydrogen 2.863 N/A VAL 98.A N LYS 68.A O no hydrogen 2.857 N/A ALA 99.A N THR 32.A O no hydrogen 2.831 N/A GLU 100.A N VAL 66.A O no hydrogen 2.906 N/A PHE 101.A N VAL 30.A O no hydrogen 3.065 N/A LYS 102.A N ALA 63.A O no hydrogen 2.805 N/A PHE 103.A N PHE 28.A O no hydrogen 2.797 N/A LEU 104.A N LYS 61.A O no hydrogen 2.981 N/A SER 105.A N ARG 26.A O no hydrogen 3.076 N/A SER 105.A OG ARG 26.A O no hydrogen 2.581 N/A GLN 107.A N GLN 111.A OE1 no hydrogen 2.939 N/A GLN 107.A NE2 HIS 25.A O no hydrogen 3.069 N/A GLN 111.A N ALA 108.A O no hydrogen 2.999 N/A GLY 112.A N SER 109.A O.A no hydrogen 2.998 N/A GLY 112.A N SER 109.A O.B no hydrogen 2.999 N/A ARG 113.A NE GLY 253.A O no hydrogen 3.207 N/A ARG 113.A NE GLY 254.A O no hydrogen 2.994 N/A ARG 113.A NH1 ASN 122.A OD1 no hydrogen 2.795 N/A ARG 113.A NH2 ASN 122.A OD1 no hydrogen 3.006 N/A ARG 113.A NH2 GLY 253.A O no hydrogen 2.882 N/A THR 117.A N MET 120.A O no hydrogen 2.842 N/A THR 117.A OG1 MET 120.A O no hydrogen 3.265 N/A GLU 119.A N THR 117.A OG1 no hydrogen 2.955 N/A MET 120.A N THR 117.A OG1 no hydrogen 2.928 N/A LEU 121.A N ALA 185.A O no hydrogen 2.778 N/A ASN 122.A N MET 115.A O no hydrogen 2.865 N/A ASN 122.A ND2 MET 183.A O no hydrogen 3.585 N/A ASN 122.A ND2 GLU 264.A OE2 no hydrogen 2.931 N/A LEU 123.A N MET 183.A O no hydrogen 2.859 N/A GLN 124.A NE2 GLU 264.A OE2 no hydrogen 3.018 N/A TRP 125.A NE1 SER 181.A O no hydrogen 2.797 N/A THR 127.A N GLN 124.A O no hydrogen 2.928 N/A THR 127.A OG1 GLN 124.A O no hydrogen 2.645 N/A THR 128.A N TRP 125.A O no hydrogen 3.062 N/A THR 128.A OG1 TRP 125.A O no hydrogen 3.273 N/A TYR 131.A N LEU 44.A O no hydrogen 2.963 N/A TYR 131.A OH ASN 309.A OD1 no hydrogen 2.462 N/A ALA 133.A N THR 42.A O no hydrogen 2.942 N/A PHE 136.A N GLN 6.A O no hydrogen 2.909 N/A ALA 137.A N PRO 306.A O no hydrogen 2.825 N/A ARG 138.A NH2 ASP 7.A OD2 no hydrogen 2.818 N/A ASN 139.A N PHE 136.A O no hydrogen 2.952 N/A ASN 139.A ND2 ASP 7.A OD1 no hydrogen 2.898 N/A ASN 139.A ND2 VAL 8.A O no hydrogen 2.836 N/A ILE 140.A N ALA 137.A O no hydrogen 3.169 N/A LYS 141.A NZ ASP 174.A OD1 no hydrogen 2.745 N/A ALA 142.A N ILE 173.A O no hydrogen 2.745 N/A GLN 143.A N LEU 14.A O no hydrogen 2.894 N/A SER 145.A N ILE 16.A O no hydrogen 2.939 N/A SER 145.A OG ASP 17.A OD1 no hydrogen 2.523 N/A VAL 146.A N VAL 168.A O no hydrogen 2.959 N/A THR 147.A N VAL 18.A O no hydrogen 2.822 N/A THR 147.A OG1 THR 167.A OG1 no hydrogen 2.960 N/A LEU 148.A N ASP 166.A O no hydrogen 2.814 N/A GLY 151.A N ASP 166.A OD1 no hydrogen 3.000 N/A TRP 152.A N PRO 149.A O no hydrogen 3.055 N/A SER 153.A N GLY 186.A O no hydrogen 2.905 N/A TYR 154.A OH THR 160.A OG1 no hydrogen 2.563 N/A ALA 155.A N PHE 184.A O no hydrogen 2.893 N/A THR 156.A OG1 SER 181.A O no hydrogen 3.174 N/A THR 156.A OG1 PRO 182.A O no hydrogen 2.943 N/A MET 158.A N THR 156.A OG1 no hydrogen 3.116 N/A THR 160.A OG1 TYR 154.A OH no hydrogen 2.563 N/A GLU 161.A N THR 169.A O no hydrogen 2.694 N/A ARG 162.A N THR 169.A O no hydrogen 3.172 N/A ARG 163.A NE GLY 165.A O no hydrogen 3.002 N/A ARG 163.A NH1 TRP 152.A O no hydrogen 2.928 N/A ARG 163.A NH2 TRP 152.A O no hydrogen 2.844 N/A ARG 163.A NH2 ASP 166.A OD1 no hydrogen 3.092 N/A VAL 164.A N THR 167.A O no hydrogen 2.939 N/A THR 167.A N VAL 164.A O no hydrogen 3.055 N/A THR 167.A OG1 THR 147.A OG1 no hydrogen 2.960 N/A VAL 168.A N VAL 146.A O no hydrogen 2.788 N/A THR 169.A N ARG 162.A O no hydrogen 2.810 N/A PHE 170.A N ALA 144.A O no hydrogen 2.880 N/A LYS 171.A N GLU 159.A O no hydrogen 2.958 N/A LYS 171.A NZ GLU 159.A OE2 no hydrogen 3.209 N/A ILE 173.A N ALA 142.A O no hydrogen 2.848 N/A PHE 175.A N ILE 140.A O no hydrogen 2.707 N/A ASP 177.A N ASP 176.A OD1 no hydrogen 2.821 N/A LEU 178.A N ASP 174.A O no hydrogen 2.833 N/A VAL 179.A N PHE 175.A O no hydrogen 3.099 N/A ASP 180.A N ASP 176.A O no hydrogen 3.082 N/A SER 181.A N LEU 178.A O no hydrogen 2.990 N/A SER 181.A OG ASP 177.A O no hydrogen 2.613 N/A MET 183.A N LEU 123.A O no hydrogen 3.037 N/A PHE 184.A N ALA 155.A O no hydrogen 3.093 N/A ALA 185.A N LEU 121.A O no hydrogen 2.978 N/A GLY 186.A N SER 153.A O no hydrogen 2.941 N/A LYS 187.A N GLU 119.A O no hydrogen 2.974 N/A TYR 189.A OH ASN 204.A OD1 no hydrogen 2.574 N/A LYS 190.A N VAL 205.A O no hydrogen 2.868 N/A LYS 190.A NZ LEU 213.A O no hydrogen 2.905 N/A ARG 191.A NH1 ASN 204.A OD1 no hydrogen 2.894 N/A ARG 191.A NH1 GLU 243.A OE2 no hydrogen 2.773 N/A ARG 191.A NH2 GLU 243.A OE1 no hydrogen 3.298 N/A VAL 192.A N LEU 203.A O no hydrogen 2.799 N/A LEU 194.A N VAL 201.A O no hydrogen 2.830 N/A SER 195.A N VAL 201.A O no hydrogen 3.072 N/A SER 195.A OG ALA 196.A O no hydrogen 3.078 N/A GLN 199.A NE2 ARG 237.A O no hydrogen 3.038 N/A GLN 199.A NE2 PHE 239.A O no hydrogen 2.939 N/A GLN 199.A NE2 ASN 429.A OD1 no hydrogen 3.151 N/A VAL 201.A N SER 195.A O no hydrogen 3.022 N/A TYR 202.A N TYR 242.A O no hydrogen 2.957 N/A LEU 203.A N VAL 192.A O no hydrogen 2.673 N/A ASN 204.A N PHE 244.A O no hydrogen 2.884 N/A ASN 204.A ND2 GLU 243.A OE2 no hydrogen 2.667 N/A ASN 204.A ND2 PHE 244.A O no hydrogen 3.013 N/A VAL 205.A N LYS 190.A O no hydrogen 2.850 N/A PHE 206.A N LEU 246.A O no hydrogen 2.861 N/A ALA 207.A N TYR 188.A O no hydrogen 3.073 N/A ASP 208.A N LEU 248.A O no hydrogen 3.033 N/A SER 212.A N GLU 209.A O no hydrogen 3.087 N/A SER 212.A OG PRO 269.A O no hydrogen 3.023 N/A LEU 213.A N ALA 210.A O no hydrogen 3.011 N/A ASP 214.A N LYS 211.A O no hydrogen 3.409 N/A ALA 215.A N LEU 213.A O no hydrogen 2.787 N/A LYS 216.A N GLN 219.A OE1 no hydrogen 2.887 N/A LYS 216.A NZ ASP 214.A OD2 no hydrogen 2.867 N/A GLU 218.A N GLU 218.A OE2 no hydrogen 2.691 N/A GLN 219.A N LYS 216.A O no hydrogen 2.947 N/A GLN 219.A NE2 PHE 272.A O no hydrogen 3.045 N/A ILE 220.A N LYS 216.A O no hydrogen 2.981 N/A LYS 221.A N PRO 217.A O no hydrogen 2.897 N/A ALA 222.A N GLU 218.A O no hydrogen 3.223 N/A HIS 223.A ND1 GLN 219.A O no hydrogen 2.905 N/A HIS 223.A NE2 TYR 271.A OH no hydrogen 2.811 N/A ALA 224.A N ILE 220.A O no hydrogen 2.925 N/A ALA 225.A N LYS 221.A O no hydrogen 2.666 N/A LEU 226.A N ALA 222.A O no hydrogen 2.961 N/A VAL 227.A N HIS 223.A O no hydrogen 3.402 N/A GLN 228.A N ALA 224.A O no hydrogen 3.128 N/A GLN 229.A N ALA 225.A O no hydrogen 2.751 N/A GLN 229.A NE2 ARG 605.A OXT no hydrogen 2.909 N/A MET 230.A N LEU 226.A O no hydrogen 2.996 N/A ASP 231.A N VAL 227.A O no hydrogen 3.039 N/A LYS 232.A N GLN 228.A O no hydrogen 3.083 N/A LEU 233.A N GLN 229.A O no hydrogen 3.114 N/A TYR 234.A N MET 230.A O no hydrogen 2.909 N/A TYR 234.A OH ASN 290.A OD1 no hydrogen 2.559 N/A GLY 235.A N ASP 231.A O no hydrogen 2.723 N/A ARG 237.A N ASN 429.A OD1 no hydrogen 2.829 N/A ARG 237.A NE ASP 231.A OD1 no hydrogen 2.896 N/A ARG 237.A NH1 SER 195.A OG no hydrogen 3.063 N/A ARG 237.A NH1 GLN 199.A O no hydrogen 2.791 N/A ARG 237.A NH2 SER 195.A OG no hydrogen 3.200 N/A ARG 237.A NH2 ASP 231.A OD2 no hydrogen 2.611 N/A HIS 238.A ND1 ASP 431.A O no hydrogen 2.688 N/A HIS 238.A NE2 PHE 425.A O no hydrogen 2.736 N/A HIS 241.A ND1 ASP 240.A OD1 no hydrogen 3.091 N/A TYR 242.A N PRO 200.A O no hydrogen 2.921 N/A TYR 242.A OH SER 263.A OG no hydrogen 2.842 N/A GLU 243.A N ARG 261.A O no hydrogen 2.840 N/A PHE 244.A N TYR 202.A O no hydrogen 2.872 N/A LEU 245.A N SER 263.A O no hydrogen 2.910 N/A LEU 246.A N ASN 204.A O no hydrogen 2.878 N/A ALA 247.A N ASN 265.A O no hydrogen 2.781 N/A LEU 248.A N PHE 206.A O no hydrogen 2.718 N/A THR 249.A N GLY 267.A O no hydrogen 2.954 N/A THR 249.A OG1 ASP 208.A OD1 no hydrogen 2.753 N/A THR 249.A OG1 ASP 208.A OD2 no hydrogen 3.360 N/A LYS 250.A N ASP 208.A OD2 no hydrogen 2.794 N/A LYS 251.A N THR 249.A OG1 no hydrogen 2.808 N/A LYS 251.A NZ GLU 119.A OE1 no hydrogen 2.783 N/A LYS 251.A NZ GLU 119.A OE2 no hydrogen 3.540 N/A LEU 252.A N THR 249.A OG1 no hydrogen 2.972 N/A GLY 253.A N VAL 114.A O no hydrogen 2.814 N/A ILE 255.A N SER 266.A OG no hydrogen 2.895 N/A LEU 257.A N GLU 264.A O no hydrogen 2.870 N/A GLU 258.A N GLU 258.A OE1 no hydrogen 2.574 N/A HIS 259.A ND1 ASP 180.A OD2 no hydrogen 2.690 N/A HIS 259.A NE2 GLU 264.A OE1 no hydrogen 2.696 N/A HIS 260.A N ASP 180.A OD1 no hydrogen 2.796 N/A ARG 261.A NH1 ASP 240.A OD1 no hydrogen 3.093 N/A SER 263.A OG TYR 242.A OH no hydrogen 2.842 N/A GLU 264.A N LEU 257.A O no hydrogen 2.819 N/A ASN 265.A N LEU 245.A O no hydrogen 2.755 N/A ASN 265.A ND2 LEU 245.A O no hydrogen 3.044 N/A ASN 265.A ND2 SER 263.A OG no hydrogen 2.960 N/A SER 266.A N ILE 255.A O no hydrogen 3.059 N/A SER 266.A OG ILE 255.A O no hydrogen 3.392 N/A GLY 267.A N ALA 247.A O no hydrogen 2.742 N/A ASN 270.A ND2 GLU 274.A OE2 no hydrogen 2.862 N/A TYR 271.A N ALA 268.A O no hydrogen 2.919 N/A TYR 271.A OH HIS 223.A NE2 no hydrogen 2.811 N/A GLU 274.A N ASN 270.A O no hydrogen 3.071 N/A LYS 277.A N GLU 274.A O no hydrogen 2.943 N/A LYS 277.A NZ ASP 495.A OD1 no hydrogen 3.208 N/A LYS 277.A NZ ASP 495.A OD2 no hydrogen 2.923 N/A SER 278.A N GLU 274.A O no hydrogen 3.091 N/A SER 278.A OG ASN 270.A O no hydrogen 3.094 N/A SER 278.A OG TYR 271.A O no hydrogen 3.205 N/A SER 278.A OG GLU 274.A O no hydrogen 3.060 N/A TRP 279.A NE1 THR 491.A OG1 no hydrogen 2.920 N/A THR 280.A OG1 ASP 492.A OD2 no hydrogen 3.134 N/A ARG 282.A N TRP 279.A O no hydrogen 2.952 N/A ARG 282.A NE LEU 337.A O no hydrogen 2.929 N/A ARG 282.A NH1 TRP 275.A O no hydrogen 2.826 N/A ARG 282.A NH2 TRP 275.A O no hydrogen 3.323 N/A ARG 282.A NH2 LEU 337.A O no hydrogen 3.123 N/A LEU 284.A N GLY 281.A O no hydrogen 3.094 N/A HIS 287.A N ASP 283.A O no hydrogen 2.718 N/A HIS 287.A NE2 GLU 321.A OE1 no hydrogen 3.280 N/A GLU 288.A N LEU 284.A O no hydrogen 2.893 N/A PHE 289.A N LEU 285.A O no hydrogen 2.907 N/A ASN 290.A N ALA 286.A O no hydrogen 3.008 N/A ASN 290.A ND2 THR 324.A OG1 no hydrogen 3.023 N/A HIS 291.A N HIS 287.A O no hydrogen 3.323 N/A HIS 291.A N GLU 288.A O no hydrogen 3.139 N/A HIS 291.A ND1 ASN 294.A O no hydrogen 2.808 N/A HIS 291.A NE2 GLU 321.A OE1 no hydrogen 3.085 N/A SER 292.A N PHE 289.A O no hydrogen 2.913 N/A SER 292.A OG HIS 260.A O no hydrogen 2.728 N/A TRP 293.A N ASN 290.A O no hydrogen 3.067 N/A TRP 293.A NE1 ALA 236.A O no hydrogen 2.735 N/A ASN 294.A N ASN 290.A O no hydrogen 2.915 N/A ASN 294.A ND2 LEU 319.A O no hydrogen 2.878 N/A GLY 295.A N ARG 298.A O no hydrogen 2.831 N/A LYS 296.A N HIS 291.A O no hydrogen 2.871 N/A LYS 296.A NZ ASP 180.A OD2 no hydrogen 3.020 N/A TYR 297.A N SER 292.A O no hydrogen 3.169 N/A TYR 297.A OH ASP 431.A OD2 no hydrogen 3.111 N/A ARG 298.A N TRP 293.A O no hydrogen 3.092 N/A ARG 298.A NE ASN 435.A O no hydrogen 2.797 N/A ARG 298.A NH1 PHE 424.A O no hydrogen 2.884 N/A ARG 298.A NH2 PRO 436.A O no hydrogen 3.060 N/A ARG 299.A NE GLY 295.A O no hydrogen 2.876 N/A ARG 299.A NH2 LYS 296.A O no hydrogen 2.860 N/A ALA 301.A N TYR 437.A O no hydrogen 2.829 N/A LEU 303.A N GLY 300.A O no hydrogen 2.931 N/A ALA 304.A N GLY 300.A O no hydrogen 2.985 N/A THR 305.A N LEU 303.A O no hydrogen 2.946 N/A THR 305.A OG1 ASN 307.A O no hydrogen 3.474 N/A PHE 308.A N TYR 131.A OH no hydrogen 3.037 N/A ASN 309.A N ASN 307.A OD1 no hydrogen 2.837 N/A ASN 309.A ND2 TYR 45.A O no hydrogen 2.864 N/A GLY 313.A N ASP 302.A O no hydrogen 2.774 N/A SER 315.A OG ASP 302.A OD2 no hydrogen 2.617 N/A LEU 317.A N ASP 314.A O no hydrogen 3.002 N/A TRP 318.A NE1 GLN 367.A OE1 no hydrogen 2.817 N/A LEU 319.A N LEU 316.A O no hydrogen 2.978 N/A TYR 320.A N LEU 316.A O no hydrogen 3.256 N/A TYR 320.A OH GLU 258.A OE2 no hydrogen 2.560 N/A GLU 321.A N LEU 317.A O no hydrogen 2.763 N/A GLY 322.A N LEU 317.A O no hydrogen 3.150 N/A GLN 323.A N LEU 319.A O no hydrogen 3.051 N/A THR 324.A OG1 HIS 291.A ND1 no hydrogen 3.248 N/A THR 324.A OG1 ASN 294.A O no hydrogen 3.453 N/A THR 324.A OG1 TYR 320.A O no hydrogen 2.827 N/A GLN 325.A N GLU 321.A O no hydrogen 2.713 N/A PHE 326.A N GLY 322.A O no hydrogen 3.120 N/A TRP 327.A N GLN 323.A O no hydrogen 2.848 N/A TRP 327.A NE1 GLN 323.A OE1 no hydrogen 3.066 N/A GLY 328.A N THR 324.A O no hydrogen 2.756 N/A GLU 329.A N GLN 325.A O no hydrogen 3.373 N/A VAL 330.A N PHE 326.A O no hydrogen 3.040 N/A MET 331.A N TRP 327.A O no hydrogen 2.687 N/A SER 332.A N GLY 328.A O no hydrogen 3.061 N/A SER 332.A OG GLY 328.A O no hydrogen 2.867 N/A ALA 333.A N GLU 329.A O no hydrogen 3.283 N/A ARG 334.A N VAL 330.A O no hydrogen 2.922 N/A ARG 334.A NE LEU 601.A O no hydrogen 2.913 N/A ARG 334.A NH1 ASP 418.A OD2 no hydrogen 2.896 N/A ARG 334.A NH2 ASP 418.A OD1 no hydrogen 2.816 N/A ARG 334.A NH2 ASP 418.A OD2 no hydrogen 3.291 N/A ARG 334.A NH2 LEU 601.A O no hydrogen 2.870 N/A SER 335.A N MET 331.A O no hydrogen 2.890 N/A SER 335.A OG MET 331.A O no hydrogen 2.773 N/A SER 335.A OG SER 332.A O no hydrogen 3.308 N/A GLY 336.A N ALA 333.A O no hydrogen 3.337 N/A LEU 337.A N SER 335.A OG no hydrogen 3.313 N/A TRP 338.A N SER 332.A O no hydrogen 2.935 N/A TRP 338.A NE1 TRP 279.A O no hydrogen 2.663 N/A THR 339.A N GLN 342.A OE1 no hydrogen 2.980 N/A THR 339.A OG1 GLU 341.A OE2 no hydrogen 3.540 N/A GLN 340.A NE2 TYR 602.A O no hydrogen 2.942 N/A GLU 341.A N GLU 341.A OE2 no hydrogen 2.639 N/A GLN 342.A N THR 339.A OG1 no hydrogen 2.987 N/A ALA 343.A N THR 339.A O no hydrogen 2.985 N/A ARG 344.A N GLN 340.A O no hydrogen 2.933 N/A ASP 345.A N GLU 341.A O no hydrogen 3.092 N/A MET 346.A N GLN 342.A O no hydrogen 2.947 N/A LEU 347.A N ALA 343.A O no hydrogen 2.953 N/A ALA 348.A N ARG 344.A O no hydrogen 2.856 N/A GLY 349.A N ASP 345.A O no hydrogen 3.062 N/A VAL 350.A N MET 346.A O no hydrogen 3.105 N/A ALA 351.A N LEU 347.A O no hydrogen 2.893 N/A ALA 352.A N ALA 348.A O no hydrogen 2.884 N/A GLN 353.A N GLY 349.A O no hydrogen 2.957 N/A GLN 353.A NE2 TYR 354.A OH no hydrogen 3.288 N/A TYR 354.A N VAL 350.A O no hydrogen 3.315 N/A TYR 354.A N ALA 351.A O no hydrogen 3.219 N/A TYR 354.A OH ASP 391.A OD1 no hydrogen 2.729 N/A GLU 355.A N ALA 351.A O no hydrogen 2.854 N/A ARG 356.A N ALA 352.A O no hydrogen 2.802 N/A ARG 356.A NE GLU 355.A OE1 no hydrogen 3.286 N/A GLY 357.A N ALA 352.A O no hydrogen 3.102 N/A ARG 358.A NE ASP 391.A OD1 no hydrogen 2.825 N/A ARG 358.A NH1 GLY 357.A O no hydrogen 2.864 N/A GLY 360.A N ASN 385.A O no hydrogen 3.066 N/A MET 361.A N ARG 358.A O no hydrogen 3.121 N/A ALA 362.A N PRO 359.A O no hydrogen 3.151 N/A TRP 363.A N GLY 360.A O no hydrogen 3.097 N/A TRP 363.A NE1 TYR 386.A O no hydrogen 2.952 N/A ARG 364.A N GLY 360.A O no hydrogen 2.948 N/A ARG 364.A NE ASP 368.A OD2 no hydrogen 2.681 N/A ARG 364.A NH1 ASP 372.A OD1 no hydrogen 3.242 N/A ARG 364.A NH1 ASP 372.A OD2 no hydrogen 3.060 N/A ARG 364.A NH1 GLN 387.A O no hydrogen 2.719 N/A ARG 364.A NH2 ASP 368.A O no hydrogen 3.217 N/A ARG 364.A NH2 ASP 368.A OD2 no hydrogen 3.292 N/A ARG 364.A NH2 ASP 372.A OD2 no hydrogen 2.709 N/A GLN 367.A N MET 462.A O no hydrogen 2.886 N/A GLN 367.A NE2 SER 315.A O no hydrogen 2.860 N/A GLN 367.A NE2 GLN 367.A O no hydrogen 3.016 N/A GLN 367.A NE2 THR 370.A OG1 no hydrogen 3.289 N/A ASP 368.A N THR 365.A OG1 no hydrogen 3.068 N/A THR 369.A N VAL 366.A O no hydrogen 2.918 N/A THR 369.A OG1 VAL 366.A O no hydrogen 2.574 N/A THR 370.A N GLN 367.A O no hydrogen 3.053 N/A THR 370.A OG1 GLN 367.A O no hydrogen 2.909 N/A ASN 371.A N ASP 368.A O no hydrogen 3.063 N/A ASN 371.A ND2 ASP 368.A O no hydrogen 3.179 N/A ASN 371.A ND2 ASP 368.A OD1 no hydrogen 3.122 N/A ASP 372.A N THR 369.A O no hydrogen 2.940 N/A MET 375.A N ASN 371.A O no hydrogen 2.896 N/A SER 376.A N ASP 372.A O no hydrogen 2.802 N/A MET 377.A N PRO 373.A O no hydrogen 2.940 N/A ARG 378.A NE GLU 390.A OE1 no hydrogen 3.484 N/A ARG 378.A NE GLU 390.A OE2 no hydrogen 3.032 N/A ARG 378.A NH2 GLU 390.A OE1 no hydrogen 2.898 N/A ARG 378.A NH2 TYR 393.A OH no hydrogen 3.181 N/A ARG 379.A N SER 376.A O no hydrogen 2.883 N/A LYS 381.A NZ MET 388.A O no hydrogen 2.773 N/A TYR 383.A N GLN 387.A OE1 no hydrogen 2.703 N/A ASN 385.A ND2 VAL 518.A O no hydrogen 2.932 N/A TYR 386.A N TYR 383.A O no hydrogen 3.020 N/A GLN 387.A N TYR 383.A O no hydrogen 2.756 N/A SER 389.A N ASP 391.A OD2 no hydrogen 2.742 N/A GLU 390.A N ASP 372.A OD1 no hydrogen 2.805 N/A TYR 392.A N THR 369.A OG1 no hydrogen 3.127 N/A TYR 393.A N GLU 390.A O no hydrogen 3.090 N/A GLY 396.A N ASP 391.A O no hydrogen 3.184 N/A GLN 397.A N TYR 393.A O no hydrogen 2.828 N/A GLN 397.A NE2 GLU 329.A OE1 no hydrogen 3.003 N/A MET 398.A N SER 394.A O no hydrogen 3.058 N/A MET 399.A N GLY 395.A O no hydrogen 3.061 N/A TRP 400.A N GLY 396.A O no hydrogen 2.887 N/A TRP 400.A NE1 TRP 318.A O no hydrogen 2.788 N/A LEU 401.A N GLN 397.A O no hydrogen 2.870 N/A GLU 402.A N MET 398.A O no hydrogen 2.998 N/A VAL 403.A N MET 399.A O no hydrogen 2.725 N/A ASP 404.A N TRP 400.A O no hydrogen 2.925 N/A SER 405.A N LEU 401.A O no hydrogen 2.986 N/A SER 405.A OG GLU 402.A O no hydrogen 2.772 N/A LYS 406.A N GLU 402.A O no hydrogen 2.841 N/A LEU 407.A N VAL 403.A O no hydrogen 2.859 N/A ARG 408.A N ASP 404.A O no hydrogen 3.040 N/A ARG 408.A NE ASP 404.A OD2 no hydrogen 2.768 N/A ARG 408.A NH1 ASN 413.A OD1 no hydrogen 2.883 N/A ALA 409.A N SER 405.A O no hydrogen 2.942 N/A LEU 410.A N LYS 406.A O no hydrogen 2.838 N/A THR 411.A N ARG 408.A O no hydrogen 3.191 N/A THR 411.A OG1 LEU 407.A O no hydrogen 2.669 N/A THR 411.A OG1 ARG 408.A O no hydrogen 3.561 N/A THR 411.A OG1 ARG 415.A O no hydrogen 3.370 N/A ASN 413.A N ARG 408.A O no hydrogen 2.775 N/A ASN 413.A ND2 GLU 600.A OE1 no hydrogen 2.803 N/A LYS 414.A N THR 411.A O no hydrogen 2.990 N/A ARG 415.A N THR 411.A OG1 no hydrogen 2.903 N/A ARG 415.A NH1 LYS 414.A O no hydrogen 3.003 N/A SER 416.A N ASP 419.A OD2 no hydrogen 2.842 N/A ILE 417.A N ASP 404.A OD1 no hydrogen 2.984 N/A ASP 418.A N SER 416.A OG no hydrogen 3.322 N/A ASP 419.A N SER 416.A O no hydrogen 2.995 N/A GLY 421.A N ILE 417.A O no hydrogen 3.000 N/A LYS 422.A N ASP 418.A O no hydrogen 3.135 N/A ALA 423.A N ASP 419.A O no hydrogen 3.080 N/A PHE 424.A N PHE 420.A O no hydrogen 2.802 N/A PHE 425.A N GLY 421.A O no hydrogen 2.932 N/A GLY 426.A N LYS 422.A O no hydrogen 2.848 N/A ASN 429.A ND2 GLN 199.A OE1 no hydrogen 3.111 N/A GLY 430.A N ARG 237.A O no hydrogen 2.820 N/A ASP 431.A N LYS 428.A O no hydrogen 3.054 N/A ASP 433.A N ASP 431.A OD1 no hydrogen 3.015 N/A ASN 435.A N TYR 297.A O no hydrogen 2.667 N/A ASN 435.A ND2 TYR 297.A OH no hydrogen 3.237 N/A TYR 437.A N ARG 299.A O no hydrogen 2.956 N/A THR 438.A N ASP 441.A OD2 no hydrogen 2.863 N/A THR 438.A OG1 ASP 441.A OD2 no hydrogen 3.423 N/A ASP 441.A N THR 438.A O no hydrogen 2.962 N/A ILE 442.A N THR 438.A O no hydrogen 3.299 N/A VAL 443.A N PHE 439.A O no hydrogen 3.119 N/A SER 444.A N ASP 440.A O no hydrogen 2.908 N/A SER 444.A OG ASP 440.A O no hydrogen 3.232 N/A SER 444.A OG ASP 441.A O no hydrogen 2.998 N/A THR 445.A N ASP 441.A O no hydrogen 3.043 N/A THR 445.A OG1 ASP 441.A O no hydrogen 3.159 N/A LEU 446.A N ILE 442.A O no hydrogen 3.018 N/A ASN 447.A N VAL 443.A O no hydrogen 2.844 N/A GLY 448.A N SER 444.A O no hydrogen 2.876 N/A VAL 449.A N THR 445.A O no hydrogen 3.156 N/A VAL 449.A N LEU 446.A O no hydrogen 3.017 N/A ALA 450.A N LEU 446.A O no hydrogen 3.056 N/A PHE 452.A N ASN 447.A OD1 no hydrogen 3.049 N/A TRP 454.A N PHE 452.A O no hydrogen 2.847 N/A TRP 454.A NE1 ALA 450.A O no hydrogen 2.923 N/A SER 456.A N ASP 453.A OD1 no hydrogen 3.208 N/A SER 456.A OG ASP 453.A OD1 no hydrogen 3.329 N/A SER 456.A OG ASP 453.A OD2 no hydrogen 2.697 N/A PHE 457.A N ASP 453.A O no hydrogen 3.169 N/A LEU 458.A N TRP 454.A O no hydrogen 2.848 N/A ARG 459.A N ALA 455.A O no hydrogen 3.019 N/A SER 460.A N SER 456.A O no hydrogen 2.808 N/A SER 460.A OG SER 456.A O no hydrogen 3.237 N/A SER 460.A OG PHE 457.A O no hydrogen 2.804 N/A ARG 461.A N PHE 457.A O no hydrogen 3.276 N/A ARG 461.A N LEU 458.A O no hydrogen 3.232 N/A ARG 461.A NE GLU 402.A OE2 no hydrogen 2.768 N/A ARG 461.A NH2 GLU 402.A OE1 no hydrogen 2.886 N/A ARG 461.A NH2 GLU 402.A OE2 no hydrogen 3.479 N/A MET 462.A N LEU 458.A O no hydrogen 2.860 N/A ASP 463.A N ARG 459.A O no hydrogen 2.750 N/A HIS 465.A ND1 MET 361.A O no hydrogen 2.817 N/A ILE 469.A N SER 467.A OG no hydrogen 3.230 N/A ILE 472.A N ILE 469.A O no hydrogen 3.083 N/A ALA 474.A N GLY 470.A O no hydrogen 3.189 N/A ASN 475.A N GLY 471.A O no hydrogen 3.105 N/A ASN 475.A N ILE 472.A O no hydrogen 3.249 N/A ASN 475.A ND2 ASP 404.A OD2 no hydrogen 2.957 N/A GLY 476.A N GLU 473.A O no hydrogen 3.082 N/A TRP 477.A N ILE 472.A O no hydrogen 3.135 N/A TRP 477.A NE1 ASP 596.A OD1 no hydrogen 2.711 N/A LYS 478.A N GLU 589.A O no hydrogen 2.665 N/A LYS 478.A NZ GLU 473.A OE1 no hydrogen 3.273 N/A VAL 480.A N HIS 587.A O no hydrogen 2.931 N/A TYR 481.A OH GLU 355.A OE1 no hydrogen 2.623 N/A ASN 482.A N TYR 585.A O no hydrogen 3.104 N/A GLU 484.A N ASN 482.A OD1 no hydrogen 2.846 N/A ASN 486.A ND2 ASP 345.A O no hydrogen 2.883 N/A ASN 486.A ND2 PRO 586.A O no hydrogen 2.838 N/A LEU 487.A N ASP 345.A OD1 no hydrogen 2.740 N/A ALA 488.A N ASN 486.A OD1 no hydrogen 2.931 N/A THR 489.A N ASN 486.A OD1 no hydrogen 3.351 N/A LYS 490.A N ASN 486.A O no hydrogen 2.745 N/A LYS 490.A NZ GLU 493.A OE1 no hydrogen 3.346 N/A THR 491.A N LEU 487.A O no hydrogen 3.105 N/A THR 491.A OG1 LEU 487.A O no hydrogen 3.184 N/A ASP 492.A N ALA 488.A O no hydrogen 2.872 N/A GLU 493.A N THR 489.A O no hydrogen 2.687 N/A SER 494.A N LYS 490.A O no hydrogen 2.874 N/A SER 494.A OG THR 491.A O no hydrogen 2.994 N/A ASP 496.A N SER 494.A O no hydrogen 2.637 N/A ASP 498.A N GLU 493.A O no hydrogen 3.313 N/A ALA 499.A N LEU 509.A O no hydrogen 2.912 N/A SER 500.A N GLU 493.A OE2 no hydrogen 2.829 N/A LEU 501.A N MET 507.A O no hydrogen 2.890 N/A SER 504.A N LEU 501.A O no hydrogen 3.216 N/A SER 504.A OG LEU 501.A O no hydrogen 3.395 N/A GLY 506.A N LEU 501.A O no hydrogen 2.852 N/A MET 507.A N LEU 501.A O no hydrogen 3.465 N/A SER 508.A N ASP 517.A O no hydrogen 2.950 N/A LEU 509.A N ALA 499.A O no hydrogen 2.774 N/A LYS 510.A N ASP 514.A O no hydrogen 2.930 N/A ALA 511.A N ASP 498.A OD1 no hydrogen 3.092 N/A GLY 513.A N LYS 510.A O no hydrogen 2.858 N/A ASP 514.A N SER 512.A OG no hydrogen 3.228 N/A ILE 515.A N ASN 533.A O no hydrogen 2.760 N/A SER 516.A N SER 508.A O no hydrogen 2.752 N/A ASP 517.A N SER 508.A O no hydrogen 3.378 N/A LEU 519.A N GLY 506.A O no hydrogen 2.889 N/A TRP 520.A N ASN 385.A OD1 no hydrogen 2.810 N/A GLY 522.A N LEU 519.A O no hydrogen 3.043 N/A ALA 524.A N LEU 505.A O no hydrogen 3.023 N/A ASN 526.A N GLY 522.A O no hydrogen 2.893 N/A ASN 526.A ND2 ASP 521.A O no hydrogen 3.420 N/A ALA 527.A N PRO 523.A O no hydrogen 3.108 N/A ALA 527.A N ALA 524.A O no hydrogen 3.066 N/A GLY 528.A N PHE 525.A O no hydrogen 2.906 N/A LEU 529.A N ALA 524.A O no hydrogen 3.120 N/A ILE 530.A N ASN 533.A OD1 no hydrogen 3.025 N/A GLY 532.A N ILE 515.A O no hydrogen 2.935 N/A ASN 533.A N ILE 530.A O no hydrogen 2.965 N/A THR 534.A N LYS 567.A O no hydrogen 3.042 N/A THR 534.A OG1 ASP 514.A OD1 no hydrogen 2.582 N/A ILE 535.A N GLY 513.A O no hydrogen 2.796 N/A VAL 536.A N LEU 565.A O no hydrogen 2.713 N/A ALA 537.A N LEU 565.A O no hydrogen 3.398 N/A VAL 538.A N ARG 541.A O no hydrogen 2.786 N/A ASN 539.A N GLU 563.A O no hydrogen 2.695 N/A ARG 541.A N VAL 538.A O no hydrogen 2.989 N/A PHE 543.A N VAL 536.A O no hydrogen 2.918 N/A SER 545.A OG LYS 497.A O no hydrogen 2.513 N/A VAL 547.A N SER 544.A OG no hydrogen 2.844 N/A ILE 548.A N SER 544.A O no hydrogen 2.983 N/A LYS 549.A N SER 545.A O no hydrogen 2.998 N/A LYS 549.A NZ GLU 493.A OE1 no hydrogen 3.037 N/A LYS 549.A NZ GLU 493.A OE2 no hydrogen 3.525 N/A ASP 550.A N ASP 546.A O no hydrogen 2.832 N/A ALA 551.A N VAL 547.A O no hydrogen 3.020 N/A ILE 552.A N ILE 548.A O no hydrogen 2.959 N/A THR 553.A N LYS 549.A O no hydrogen 3.031 N/A THR 553.A OG1 LYS 549.A O no hydrogen 3.292 N/A ALA 554.A N ASP 550.A O no hydrogen 2.788 N/A ALA 555.A N ALA 551.A O no hydrogen 2.960 N/A ALA 555.A N ILE 552.A O no hydrogen 3.097 N/A LYS 556.A N THR 553.A O no hydrogen 3.022 N/A GLY 557.A N HIS 580.A O no hydrogen 3.023 N/A THR 558.A N ALA 555.A O no hydrogen 3.256 N/A THR 558.A OG1 ALA 555.A O no hydrogen 3.251 N/A VAL 560.A N THR 558.A OG1 no hydrogen 3.280 N/A ILE 562.A N ILE 577.A O no hydrogen 2.878 N/A GLU 563.A N ASN 539.A OD1 no hydrogen 2.989 N/A LEU 564.A N VAL 575.A O no hydrogen 2.864 N/A LEU 565.A N ALA 537.A O no hydrogen 2.908 N/A VAL 566.A N ASP 573.A O no hydrogen 2.655 N/A LYS 567.A N THR 534.A O no hydrogen 2.816 N/A LYS 567.A NZ TYR 572.A OH no hydrogen 3.393 N/A ARG 568.A N ARG 571.A O no hydrogen 2.799 N/A ARG 568.A NE ASP 573.A OD1 no hydrogen 2.750 N/A ARG 568.A NH1 ALA 527.A O no hydrogen 3.435 N/A ARG 568.A NH2 ALA 527.A O no hydrogen 3.097 N/A ARG 568.A NH2 ASP 573.A OD2 no hydrogen 3.042 N/A ARG 571.A N ARG 568.A O no hydrogen 2.991 N/A ARG 571.A NE ASP 570.A OD1 no hydrogen 3.350 N/A ASP 573.A N VAL 566.A O no hydrogen 2.959 N/A VAL 575.A N LEU 564.A O no hydrogen 2.846 N/A ILE 577.A N ILE 562.A O no hydrogen 2.833 N/A TYR 579.A OH GLY 582.A O no hydrogen 2.690 N/A HIS 580.A ND1 ALA 555.A O no hydrogen 2.892 N/A TYR 585.A N ASN 482.A O no hydrogen 2.690 N/A HIS 587.A N VAL 480.A O no hydrogen 2.902 N/A HIS 587.A ND1 ASP 345.A OD2 no hydrogen 2.894 N/A HIS 587.A NE2 GLU 484.A O no hydrogen 2.569 N/A GLU 589.A N LYS 478.A O no hydrogen 2.898 N/A ARG 590.A NH1 GLY 476.A O no hydrogen 2.928 N/A ARG 590.A NH1 LYS 594.A O no hydrogen 2.865 N/A ARG 590.A NH2 LYS 594.A O no hydrogen 2.793 N/A ILE 591.A N GLY 476.A O no hydrogen 2.895 N/A LYS 594.A N ILE 591.A O no hydrogen 2.949 N/A LYS 594.A NZ GLU 473.A O no hydrogen 2.997 N/A ARG 597.A N.A PRO 595.A O no hydrogen 3.141 N/A ARG 597.A N.B ASN 475.A O no hydrogen 2.984 N/A ARG 597.A N.B PRO 595.A O no hydrogen 3.151 N/A ARG 597.A NH1.A GLU 600.A OE2 no hydrogen 2.913 N/A LEU 598.A N ASN 475.A O no hydrogen 3.007 N/A SER 599.A N ASP 596.A OD1 no hydrogen 2.956 N/A SER 599.A OG ASP 596.A OD1 no hydrogen 3.245 N/A SER 599.A OG ASP 596.A OD2 no hydrogen 2.609 N/A LEU 601.A N ARG 597.A O.A no hydrogen 2.908 N/A LEU 601.A N ARG 597.A O.B no hydrogen 3.009 N/A TYR 602.A N LEU 598.A O no hydrogen 3.049 N/A LYS 603.A N GLU 600.A O no hydrogen 3.137 N/A ARG 605.A N GLN 229.A OE1 no hydrogen 2.832 N/A ARG 605.A NH1 ASP 418.A OD2 no hydrogen 2.821 N/A