Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wky_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N SER 1.A O no hydrogen 2.852 N/A ILE 5.A N ILE 261.A O no hydrogen 2.991 N/A ALA 6.A N LYS 245.A O no hydrogen 2.676 N/A ILE 7.A N ALA 259.A O no hydrogen 2.927 N/A VAL 8.A N VAL 243.A O no hydrogen 2.855 N/A ALA 10.A N ILE 241.A O no hydrogen 2.991 N/A ARG 12.A N VAL 239.A O no hydrogen 2.961 N/A ARG 12.A NE ASP 17.A OD1 no hydrogen 2.864 N/A ARG 12.A NH2 ASP 17.A OD1 no hydrogen 3.056 N/A ARG 12.A NH2 PRO 64.A O no hydrogen 2.760 N/A PHE 13.A N ALA 16.A O no hydrogen 2.872 N/A ALA 16.A N PHE 13.A O no hydrogen 2.841 N/A ASP 17.A N GLU 21.A OE1 no hydrogen 2.762 N/A GLU 21.A N SER 18.A OG no hydrogen 3.049 N/A PHE 22.A N SER 18.A O no hydrogen 2.807 N/A TRP 23.A N VAL 19.A O no hydrogen 2.921 N/A GLU 24.A N GLY 20.A O no hydrogen 3.141 N/A LEU 25.A N GLU 21.A O no hydrogen 2.925 N/A LEU 26.A N PHE 22.A O no hydrogen 2.986 N/A ARG 27.A N TRP 23.A O no hydrogen 2.816 N/A SER 28.A N GLU 24.A O no hydrogen 3.045 N/A SER 28.A OG GLU 24.A O no hydrogen 3.135 N/A SER 28.A OG GLU 24.A OE2 no hydrogen 2.801 N/A GLY 29.A N LEU 26.A O no hydrogen 3.107 N/A ARG 30.A N LEU 25.A O no hydrogen 2.998 N/A GLY 32.A N ASN 345.A O no hydrogen 2.656 N/A THR 34.A N HIS 60.A O no hydrogen 2.999 N/A ARG 35.A NH1 ASP 220.A O no hydrogen 2.947 N/A ARG 35.A NH2 ASP 220.A O no hydrogen 3.273 N/A PHE 36.A N ARG 58.A O no hydrogen 2.877 N/A SER 37.A N GLU 40.A OE1 no hydrogen 2.964 N/A GLU 40.A N SER 37.A OG no hydrogen 2.860 N/A LEU 41.A N SER 37.A O no hydrogen 3.081 N/A ALA 42.A N ASP 38.A O no hydrogen 2.952 N/A ALA 43.A N GLU 39.A O no hydrogen 2.837 N/A ALA 44.A N GLU 40.A O no hydrogen 2.902 N/A GLY 45.A N ALA 42.A O no hydrogen 2.575 N/A VAL 46.A N LEU 41.A O no hydrogen 2.790 N/A ARG 51.A N PRO 47.A O no hydrogen 3.107 N/A ARG 51.A NE VAL 46.A O no hydrogen 2.723 N/A ARG 51.A NE PRO 47.A O no hydrogen 3.135 N/A ARG 51.A NH1 ASP 38.A OD1 no hydrogen 3.290 N/A ALA 52.A N ALA 48.A O no hydrogen 3.007 N/A ALA 52.A N ALA 49.A O no hydrogen 3.097 N/A ASP 53.A N LEU 50.A O no hydrogen 3.132 N/A ALA 55.A N ASP 53.A OD1 no hydrogen 2.768 N/A TYR 56.A N ASP 53.A O no hydrogen 2.982 N/A VAL 57.A N TYR 209.A O no hydrogen 2.742 N/A ARG 58.A NE PHE 36.A O no hydrogen 2.772 N/A HIS 60.A N THR 34.A O no hydrogen 3.068 N/A HIS 60.A ND1 GLN 205.A O no hydrogen 2.870 N/A GLY 61.A N LEU 235.A O no hydrogen 2.917 N/A LEU 63.A N GLN 205.A OE1 no hydrogen 2.900 N/A LEU 68.A N ASP 65.A O no hydrogen 3.236 N/A PHE 69.A N ARG 568.A O no hydrogen 2.980 N/A THR 71.A N PHE 69.A O no hydrogen 3.011 N/A PHE 73.A N ASP 70.A OD1 no hydrogen 3.033 N/A PHE 74.A N ASP 70.A O no hydrogen 3.254 N/A GLU 75.A N GLY 72.A O no hydrogen 3.140 N/A PHE 76.A N THR 71.A O no hydrogen 2.932 N/A THR 77.A N GLU 80.A OE1 no hydrogen 3.106 N/A GLU 80.A N THR 77.A OG1 no hydrogen 2.898 N/A ALA 81.A N THR 77.A O no hydrogen 2.882 N/A GLU 82.A N PRO 78.A O no hydrogen 2.967 N/A ILE 84.A N ALA 81.A O no hydrogen 3.014 N/A ASP 85.A N GLY 146.A O no hydrogen 2.941 N/A GLN 87.A N ASP 85.A OD1 no hydrogen 2.902 N/A GLN 87.A NE2 ASP 85.A OD2 no hydrogen 2.856 N/A GLN 87.A NE2 ALA 120.A O no hydrogen 3.032 N/A GLN 87.A NE2 ILE 121.A O no hydrogen 3.575 N/A ARG 89.A N ASP 85.A O no hydrogen 3.176 N/A ARG 89.A NE ILE 84.A O no hydrogen 2.915 N/A ARG 89.A NH1 VAL 570.A O no hydrogen 2.893 N/A ARG 89.A NH2 ILE 84.A O no hydrogen 2.808 N/A ARG 89.A NH2 VAL 570.A O no hydrogen 3.466 N/A LEU 90.A N PRO 86.A O no hydrogen 2.910 N/A PHE 91.A N GLN 87.A O no hydrogen 3.033 N/A LEU 92.A N HIS 88.A O no hydrogen 2.993 N/A GLU 93.A N ARG 89.A O no hydrogen 2.977 N/A SER 94.A N LEU 90.A O no hydrogen 2.948 N/A SER 94.A OG LEU 90.A O no hydrogen 2.978 N/A CYS 95.A N PHE 91.A O no hydrogen 2.906 N/A CYS 95.A SG PHE 91.A O no hydrogen 3.441 N/A HIS 96.A N LEU 92.A O no hydrogen 2.979 N/A THR 97.A N GLU 93.A O no hydrogen 2.919 N/A THR 97.A OG1 GLU 93.A O no hydrogen 2.881 N/A ALA 98.A N SER 94.A O no hydrogen 2.726 N/A LEU 99.A N CYS 95.A O no hydrogen 3.050 N/A GLU 100.A N HIS 96.A O no hydrogen 3.060 N/A ASP 101.A N THR 97.A O no hydrogen 2.816 N/A ALA 102.A N ALA 98.A O no hydrogen 3.050 N/A GLY 103.A N LEU 99.A O no hydrogen 3.041 N/A GLY 103.A N GLU 100.A O no hydrogen 3.085 N/A TYR 104.A N LEU 99.A O no hydrogen 2.973 N/A TYR 104.A OH ASP 255.A OD1 no hydrogen 2.636 N/A TYR 104.A OH ASP 255.A OD2 no hydrogen 3.231 N/A ARG 107.A N ASP 105.A OD1 no hydrogen 2.918 N/A ARG 107.A NH1 LYS 159.A O no hydrogen 3.430 N/A ARG 107.A NH2 LYS 159.A O no hydrogen 3.327 N/A ARG 108.A N ASP 105.A O no hydrogen 3.009 N/A ARG 108.A NE GLU 543.A OE2 no hydrogen 2.837 N/A ARG 108.A NH1 ARG 107.A O no hydrogen 2.980 N/A ARG 108.A NH2 GLU 543.A OE1 no hydrogen 2.869 N/A ARG 108.A NH2 GLU 543.A OE2 no hydrogen 3.562 N/A TYR 109.A OH ASP 193.A OD1 no hydrogen 2.619 N/A SER 114.A OG PRO 165.A O no hydrogen 2.789 N/A VAL 115.A N PRO 165.A O no hydrogen 3.330 N/A TYR 116.A N LEU 195.A O no hydrogen 2.852 N/A GLY 117.A N TYR 167.A O no hydrogen 3.230 N/A ALA 119.A N GLN 170.A OE1 no hydrogen 2.913 N/A ALA 120.A N VAL 199.A O no hydrogen 2.972 N/A ASN 122.A ND2 ASN 147.A O no hydrogen 3.044 N/A ASN 122.A ND2 ASN 147.A OD1 no hydrogen 2.867 N/A TYR 124.A OH GLU 82.A O no hydrogen 2.647 N/A LEU 125.A N ASN 122.A OD1 no hydrogen 2.952 N/A ARG 127.A N THR 123.A O no hydrogen 3.227 N/A HIS 128.A N TYR 124.A O no hydrogen 2.806 N/A HIS 128.A ND1 LEU 572.A O no hydrogen 3.030 N/A VAL 129.A N TYR 124.A O no hydrogen 3.105 N/A LEU 130.A N LEU 125.A O no hydrogen 2.816 N/A SER 132.A N VAL 129.A O no hydrogen 2.851 N/A SER 132.A OG HIS 128.A O no hydrogen 2.833 N/A SER 132.A OG GLU 573.A O no hydrogen 3.309 N/A THR 136.A N ASP 134.A OD1 no hydrogen 2.929 N/A THR 136.A OG1 ASP 134.A OD1 no hydrogen 2.849 N/A HIS 141.A N ALA 137.A O no hydrogen 3.034 N/A HIS 141.A ND1 GLN 135.A OE1 no hydrogen 3.061 N/A PHE 142.A N THR 138.A O no hydrogen 2.876 N/A ARG 143.A N.A SER 139.A O no hydrogen 3.069 N/A ARG 143.A N.B SER 139.A O no hydrogen 3.063 N/A ARG 143.A NE.A ASP 140.A OD1 no hydrogen 3.464 N/A ARG 143.A NH1.A ASP 140.A OD1 no hydrogen 2.940 N/A ARG 143.A NH2.B ASP 140.A OD1 no hydrogen 2.556 N/A VAL 144.A N ASP 140.A O no hydrogen 3.110 N/A GLY 146.A N ARG 143.A O.A no hydrogen 3.108 N/A GLY 146.A N ARG 143.A O.B no hydrogen 2.991 N/A ASN 147.A ND2 VAL 83.A O no hydrogen 2.959 N/A ASN 147.A ND2 VAL 144.A O no hydrogen 2.941 N/A LYS 149.A NZ ALA 119.A O no hydrogen 2.873 N/A PHE 151.A N ASP 148.A O no hydrogen 3.211 N/A LEU 152.A N LYS 149.A O no hydrogen 3.077 N/A ARG 155.A N PHE 151.A O no hydrogen 3.094 N/A ARG 155.A NH1 HIS 88.A ND1 no hydrogen 2.930 N/A ARG 155.A NH2 VAL 145.A O no hydrogen 2.657 N/A SER 157.A N ALA 153.A O no hydrogen 3.178 N/A SER 157.A OG SER 166.A OG no hydrogen 2.822 N/A TYR 158.A N THR 154.A O no hydrogen 2.890 N/A LYS 159.A N ARG 155.A O no hydrogen 2.888 N/A LYS 159.A NZ PHE 74.A O no hydrogen 3.027 N/A LYS 159.A NZ GLU 75.A O no hydrogen 2.955 N/A LEU 160.A N VAL 156.A O no hydrogen 2.776 N/A LEU 162.A N SER 157.A O no hydrogen 2.874 N/A ARG 163.A NE ASP 161.A OD1 no hydrogen 2.902 N/A ARG 163.A NH2 ASP 161.A OD1 no hydrogen 3.201 N/A ARG 163.A NH2 ASP 161.A OD2 no hydrogen 2.750 N/A GLY 164.A N ILE 113.A O no hydrogen 2.914 N/A SER 166.A OG SER 157.A OG no hydrogen 2.822 N/A TYR 167.A N VAL 115.A O no hydrogen 2.899 N/A SER 168.A OG LYS 149.A O no hydrogen 2.784 N/A VAL 169.A N GLY 117.A O no hydrogen 2.826 N/A GLN 170.A NE2 ALA 119.A O no hydrogen 2.801 N/A THR 171.A N THR 175.A OG1 no hydrogen 2.887 N/A THR 171.A OG1 SER 174.A OG no hydrogen 2.765 N/A CYS 173.A SG HIS 348.A NE2 no hydrogen 3.984 N/A SER 174.A N THR 171.A O no hydrogen 3.440 N/A SER 174.A OG THR 171.A O no hydrogen 3.173 N/A SER 174.A OG THR 171.A OG1 no hydrogen 2.765 N/A SER 174.A OG THR 416.A O no hydrogen 2.884 N/A THR 175.A N ALA 172.A O no hydrogen 3.030 N/A THR 175.A OG1 ALA 172.A O no hydrogen 2.657 N/A SER 176.A OG ALA 351.A O no hydrogen 2.767 N/A VAL 178.A N SER 174.A O no hydrogen 3.011 N/A ALA 179.A N THR 175.A O no hydrogen 2.904 N/A ILE 180.A N SER 176.A O no hydrogen 3.110 N/A HIS 181.A N LEU 177.A O no hydrogen 2.888 N/A HIS 181.A ND1 THR 264.A OG1 no hydrogen 2.687 N/A LEU 182.A N VAL 178.A O no hydrogen 2.880 N/A ALA 183.A N ALA 179.A O no hydrogen 2.922 N/A CYS 184.A N ILE 180.A O no hydrogen 2.909 N/A CYS 184.A SG ILE 180.A O no hydrogen 3.330 N/A GLN 185.A N HIS 181.A O no hydrogen 2.992 N/A GLY 186.A N LEU 182.A O no hydrogen 2.857 N/A LEU 187.A N ALA 183.A O no hydrogen 2.944 N/A ILE 188.A N CYS 184.A O no hydrogen 2.918 N/A ASN 189.A N GLN 185.A O no hydrogen 2.821 N/A ASN 189.A ND2 GLU 191.A OE2 no hydrogen 3.208 N/A GLY 190.A N LEU 187.A O no hydrogen 3.180 N/A GLU 191.A N GLY 186.A O no hydrogen 2.909 N/A ASP 193.A N LEU 112.A O no hydrogen 2.900 N/A LEU 195.A N SER 114.A O no hydrogen 2.881 N/A ALA 196.A N VAL 242.A O no hydrogen 2.985 N/A GLY 197.A N TYR 116.A O no hydrogen 3.120 N/A GLY 198.A N GLY 240.A O no hydrogen 3.129 N/A VAL 199.A N GLY 118.A O no hydrogen 3.104 N/A THR 200.A N GLY 238.A O no hydrogen 2.782 N/A THR 200.A OG1 LEU 349.A O no hydrogen 2.613 N/A VAL 201.A N GLN 87.A OE1 no hydrogen 2.884 N/A LYS 202.A N ASN 237.A OD1 no hydrogen 2.797 N/A LYS 202.A NZ ASP 350.A OD2 no hydrogen 2.767 N/A LEU 203.A N THR 123.A OG1 no hydrogen 2.959 N/A GLN 205.A NE2 LEU 63.A O no hydrogen 2.779 N/A ARG 207.A N GLN 205.A O no hydrogen 3.033 N/A GLY 208.A N TYR 56.A OH no hydrogen 2.891 N/A TYR 209.A N VAL 57.A O no hydrogen 2.954 N/A TYR 209.A OH SER 218.A O no hydrogen 2.653 N/A TYR 211.A N ALA 55.A O no hydrogen 2.822 N/A ALA 215.A N GLU 212.A O no hydrogen 3.127 N/A SER 218.A N THR 233.A O no hydrogen 2.756 N/A SER 218.A OG ARG 222.A O no hydrogen 2.781 N/A ASP 220.A N SER 218.A OG no hydrogen 3.165 N/A ARG 222.A N ASP 220.A OD1 no hydrogen 2.883 N/A ARG 222.A NH2 GLU 31.A OE1 no hydrogen 3.417 N/A ARG 224.A NE ASP 220.A OD2 no hydrogen 3.085 N/A ARG 224.A NH2 ASP 220.A OD2 no hydrogen 2.772 N/A THR 225.A OG1 GLY 309.A O no hydrogen 3.089 N/A PHE 226.A N ASP 316.A OD2 no hydrogen 2.876 N/A ASP 227.A N ARG 224.A O no hydrogen 3.146 N/A ALA 228.A N ARG 377.A O no hydrogen 2.736 N/A GLU 229.A N ASP 227.A OD2 no hydrogen 2.781 N/A ALA 230.A N ASP 227.A O no hydrogen 3.046 N/A GLY 232.A N ALA 311.A O no hydrogen 2.816 N/A THR 233.A N ILE 216.A O no hydrogen 2.771 N/A THR 233.A OG1 THR 310.A O no hydrogen 2.967 N/A GLY 236.A N HIS 348.A O no hydrogen 3.051 N/A ASN 237.A N GLY 61.A O no hydrogen 2.895 N/A ASN 237.A ND2 LYS 202.A O no hydrogen 3.033 N/A ASN 237.A ND2 GLN 205.A OE1 no hydrogen 2.923 N/A GLY 238.A N THR 200.A O no hydrogen 2.817 N/A VAL 239.A N ARG 12.A O no hydrogen 2.932 N/A GLY 240.A N GLY 198.A O no hydrogen 3.167 N/A ILE 241.A N ALA 10.A O no hydrogen 2.880 N/A VAL 242.A N ALA 196.A O no hydrogen 2.911 N/A VAL 243.A N GLY 9.A O no hydrogen 2.976 N/A LEU 244.A N ALA 194.A O no hydrogen 2.762 N/A LYS 245.A N ALA 6.A O no hydrogen 2.971 N/A LYS 245.A NZ TYR 104.A OH no hydrogen 2.986 N/A LYS 245.A NZ ASP 255.A OD2 no hydrogen 2.813 N/A LEU 247.A N ASP 4.A O no hydrogen 2.985 N/A ALA 250.A N LEU 246.A O no hydrogen 3.135 N/A LEU 251.A N LEU 247.A O no hydrogen 2.959 N/A ASP 252.A N ALA 248.A O no hydrogen 2.945 N/A ALA 253.A N ASP 249.A O no hydrogen 2.901 N/A GLY 254.A N LEU 251.A O no hydrogen 3.242 N/A ASP 255.A N ALA 250.A O no hydrogen 3.112 N/A THR 256.A OG1 ARG 557.A O no hydrogen 2.530 N/A HIS 258.A N ILE 7.A O no hydrogen 2.783 N/A VAL 260.A N GLN 423.A O no hydrogen 2.838 N/A ILE 261.A N ILE 5.A O no hydrogen 2.714 N/A LYS 262.A N ILE 421.A O no hydrogen 2.756 N/A LYS 262.A NZ GLN 423.A OE1 no hydrogen 2.902 N/A THR 264.A OG1 HIS 181.A ND1 no hydrogen 2.687 N/A ALA 265.A N HIS 419.A O no hydrogen 2.918 N/A ASN 267.A N ASN 417.A O no hydrogen 3.136 N/A ASN 267.A ND2 GLY 283.A O no hydrogen 2.950 N/A ASN 268.A ND2 GLY 414.A O no hydrogen 2.995 N/A ASN 268.A ND2 THR 416.A OG1 no hydrogen 3.060 N/A ASP 269.A N GLY 415.A O no hydrogen 2.857 N/A GLY 270.A N ASN 268.A OD1 no hydrogen 2.740 N/A LEU 272.A N ASP 269.A O no hydrogen 3.329 N/A LYS 273.A N SER 271.A O no hydrogen 2.827 N/A LYS 273.A NZ ASP 269.A OD2 no hydrogen 2.920 N/A LYS 273.A NZ TYR 276.A O no hydrogen 3.470 N/A LYS 273.A NZ ALA 278.A O no hydrogen 2.963 N/A ALA 278.A N SER 275.A O no hydrogen 3.223 N/A ALA 278.A N SER 275.A OG no hydrogen 3.275 N/A LYS 281.A NZ ASP 325.A OD2 no hydrogen 3.004 N/A GLN 284.A N GLY 280.A O no hydrogen 2.929 N/A ALA 285.A N LYS 281.A O no hydrogen 2.869 N/A ALA 286.A N GLU 282.A O no hydrogen 3.035 N/A VAL 287.A N GLY 283.A O no hydrogen 2.941 N/A VAL 288.A N GLN 284.A O no hydrogen 3.172 N/A ALA 289.A N ALA 285.A O no hydrogen 3.088 N/A GLU 290.A N ALA 286.A O no hydrogen 2.935 N/A ALA 291.A N VAL 287.A O no hydrogen 2.933 N/A HIS 292.A N VAL 288.A O no hydrogen 2.940 N/A ALA 293.A N ALA 289.A O no hydrogen 3.011 N/A VAL 294.A N GLU 290.A O no hydrogen 2.892 N/A SER 295.A N ALA 291.A O no hydrogen 3.093 N/A SER 295.A OG ALA 291.A O no hydrogen 2.754 N/A SER 295.A OG HIS 292.A O no hydrogen 3.107 N/A SER 295.A OG THR 297.A OG1 no hydrogen 2.696 N/A GLY 296.A N ALA 293.A O no hydrogen 3.192 N/A THR 297.A N HIS 292.A O no hydrogen 2.948 N/A THR 297.A OG1 SER 295.A OG no hydrogen 2.696 N/A GLU 300.A N GLU 300.A OE2 no hydrogen 2.973 N/A SER 301.A N GLU 298.A O no hydrogen 2.901 N/A SER 301.A OG GLU 298.A O no hydrogen 2.748 N/A VAL 302.A N PRO 299.A O no hydrogen 3.013 N/A THR 303.A N ARG 405.A O no hydrogen 3.034 N/A TYR 304.A OH GLU 306.A OE1 no hydrogen 2.698 N/A VAL 305.A N ALA 338.A O no hydrogen 2.875 N/A GLU 306.A N GLY 407.A O no hydrogen 2.896 N/A ALA 307.A N GLY 340.A O no hydrogen 2.903 N/A HIS 308.A N GLU 319.A OE2 no hydrogen 2.647 N/A GLY 309.A N GLU 319.A OE1 no hydrogen 2.763 N/A THR 310.A OG1 THR 312.A OG1 no hydrogen 3.304 N/A ALA 311.A N ASP 316.A OD1 no hydrogen 3.031 N/A THR 312.A OG1 THR 310.A OG1 no hydrogen 3.304 N/A GLY 315.A N THR 312.A OG1 no hydrogen 3.156 N/A ASP 316.A N THR 312.A O no hydrogen 3.311 N/A VAL 318.A N LEU 314.A O no hydrogen 3.371 N/A GLU 319.A N GLY 315.A O no hydrogen 2.946 N/A VAL 320.A N ASP 316.A O no hydrogen 3.130 N/A ALA 321.A N PRO 317.A O no hydrogen 2.969 N/A ALA 322.A N VAL 318.A O no hydrogen 2.958 N/A LEU 323.A N GLU 319.A O no hydrogen 3.008 N/A THR 324.A N VAL 320.A O no hydrogen 2.865 N/A THR 324.A OG1 VAL 320.A O no hydrogen 2.760 N/A ASP 325.A N ALA 321.A O no hydrogen 2.836 N/A ALA 326.A N ALA 322.A O no hydrogen 2.999 N/A PHE 327.A N LEU 323.A O no hydrogen 2.855 N/A ARG 328.A N THR 324.A O no hydrogen 2.863 N/A ARG 328.A NH2 ALA 386.A O no hydrogen 2.893 N/A ARG 329.A N ALA 326.A O no hydrogen 3.290 N/A ARG 329.A NE ASP 325.A OD1 no hydrogen 3.227 N/A ARG 329.A NH2 ASP 325.A OD1 no hydrogen 2.867 N/A GLY 330.A N PHE 327.A O no hydrogen 2.944 N/A THR 331.A N PHE 327.A O no hydrogen 3.086 N/A ASP 333.A N THR 331.A OG1 no hydrogen 3.033 N/A GLY 335.A N THR 387.A O no hydrogen 2.940 N/A PHE 336.A N PRO 388.A O no hydrogen 2.817 N/A CYS 337.A N PRO 388.A O no hydrogen 2.794 N/A CYS 337.A SG VAL 302.A O no hydrogen 3.501 N/A CYS 337.A SG ALA 338.A O no hydrogen 3.504 N/A ALA 338.A N THR 303.A O no hydrogen 2.951 N/A ILE 339.A N TYR 390.A O no hydrogen 2.858 N/A GLY 340.A N VAL 305.A O no hydrogen 3.088 N/A SER 341.A N THR 372.A OG1 no hydrogen 3.209 N/A SER 341.A OG GLY 309.A O no hydrogen 2.904 N/A LEU 342.A N GLU 306.A OE2 no hydrogen 2.821 N/A LYS 343.A N SER 341.A OG no hydrogen 3.121 N/A LYS 343.A NZ HIS 308.A O no hydrogen 2.794 N/A SER 344.A N SER 341.A O no hydrogen 3.171 N/A SER 344.A OG SER 341.A O no hydrogen 2.868 N/A SER 344.A OG ASN 345.A OD1 no hydrogen 3.370 N/A ASN 345.A N LEU 342.A O no hydrogen 2.961 N/A ASN 345.A ND2 ARG 30.A O no hydrogen 3.049 N/A VAL 346.A N LEU 342.A O no hydrogen 3.046 N/A GLY 347.A N LYS 343.A O no hydrogen 2.897 N/A HIS 348.A N VAL 234.A O no hydrogen 2.771 N/A ASP 350.A N HIS 348.A ND1 no hydrogen 3.177 N/A ALA 352.A N LEU 349.A O no hydrogen 2.911 N/A ALA 353.A N ASP 350.A O no hydrogen 2.885 N/A VAL 355.A N SER 176.A OG no hydrogen 2.831 N/A ALA 356.A N ALA 352.A O no hydrogen 3.047 N/A GLY 357.A N ALA 353.A O no hydrogen 3.138 N/A VAL 358.A N GLY 354.A O no hydrogen 3.032 N/A ILE 359.A N VAL 355.A O no hydrogen 2.885 N/A LYS 360.A N ALA 356.A O no hydrogen 2.976 N/A LYS 360.A NZ TYR 304.A OH no hydrogen 2.946 N/A LYS 360.A NZ GLU 306.A OE1 no hydrogen 2.817 N/A THR 361.A N GLY 357.A O no hydrogen 3.023 N/A THR 361.A OG1 GLY 357.A O no hydrogen 2.792 N/A ALA 362.A N VAL 358.A O no hydrogen 2.802 N/A LEU 363.A N ILE 359.A O no hydrogen 2.849 N/A ARG 365.A N ALA 362.A O no hydrogen 2.990 N/A HIS 366.A N LEU 363.A O no hydrogen 2.899 N/A ARG 367.A N LEU 364.A O no hydrogen 3.179 N/A ARG 367.A NH2 GLU 424.A OE1 no hydrogen 3.277 N/A SER 368.A OG LEU 369.A O no hydrogen 2.998 N/A SER 368.A OG ARG 396.A O no hydrogen 3.289 N/A LEU 369.A N ARG 396.A O no hydrogen 2.822 N/A THR 372.A N ASN 392.A O no hydrogen 3.170 N/A LEU 373.A N SER 344.A OG no hydrogen 2.858 N/A GLU 376.A N ASP 227.A OD1 no hydrogen 2.732 N/A ARG 377.A N ASP 227.A OD1 no hydrogen 2.915 N/A ASN 379.A N PHE 226.A O no hydrogen 2.875 N/A ALA 381.A N ASN 379.A OD1 no hydrogen 2.983 N/A ILE 382.A N ASN 379.A O no hydrogen 3.019 N/A ALA 386.A N ASP 383.A O no hydrogen 2.995 N/A THR 387.A N PHE 384.A O no hydrogen 2.845 N/A THR 387.A OG1 PHE 384.A O no hydrogen 2.687 N/A PHE 389.A N THR 387.A OG1 no hydrogen 2.969 N/A TYR 390.A N CYS 337.A O no hydrogen 3.054 N/A ASN 392.A ND2 VAL 370.A O no hydrogen 2.945 N/A ASN 392.A ND2 GLU 394.A O no hydrogen 2.880 N/A THR 395.A OG1 ARG 27.A O no hydrogen 2.607 N/A ARG 396.A N LEU 369.A O no hydrogen 3.223 N/A ARG 396.A NE ASN 392.A OD1 no hydrogen 2.915 N/A ARG 396.A NH2 TYR 390.A OH no hydrogen 2.982 N/A ARG 396.A NH2 ASN 392.A OD1 no hydrogen 3.029 N/A TRP 398.A N ARG 367.A O no hydrogen 2.911 N/A TRP 398.A NE1 THR 303.A OG1 no hydrogen 2.900 N/A LEU 404.A N GLU 424.A OE1 no hydrogen 3.076 N/A ARG 405.A NE GLN 423.A OE1 no hydrogen 2.809 N/A ARG 405.A NH1 SER 301.A OG no hydrogen 2.939 N/A ARG 405.A NH2 GLN 423.A OE1 no hydrogen 3.067 N/A ALA 406.A N LEU 422.A O no hydrogen 2.840 N/A GLY 407.A N TYR 304.A O no hydrogen 2.918 N/A VAL 408.A N ALA 420.A O no hydrogen 2.910 N/A SER 409.A N GLU 306.A O no hydrogen 3.036 N/A SER 409.A OG HIS 419.A ND1 no hydrogen 2.807 N/A SER 410.A N ALA 418.A O no hydrogen 2.995 N/A GLY 412.A N THR 416.A O no hydrogen 3.340 N/A GLY 415.A N GLY 412.A O no hydrogen 2.934 N/A ASN 417.A N ASN 267.A O no hydrogen 2.970 N/A ASN 417.A ND2 ASN 267.A OD1 no hydrogen 3.003 N/A ASN 417.A ND2 ASP 269.A OD1 no hydrogen 2.763 N/A ALA 418.A N SER 410.A O no hydrogen 2.944 N/A HIS 419.A N ALA 265.A O no hydrogen 3.061 N/A HIS 419.A ND1 SER 409.A OG no hydrogen 2.807 N/A ALA 420.A N VAL 408.A O no hydrogen 2.965 N/A ILE 421.A N GLY 263.A O no hydrogen 2.900 N/A LEU 422.A N ALA 406.A O no hydrogen 2.777 N/A GLN 423.A N VAL 260.A O no hydrogen 2.700 N/A GLU 424.A N LEU 404.A O no hydrogen 2.858 N/A THR 431.A OG1 ASP 472.A OD1 no hydrogen 3.423 N/A THR 431.A OG1 ASP 472.A OD2 no hydrogen 2.598 N/A SER 434.A OG GLU 553.A OE1 no hydrogen 3.434 N/A SER 434.A OG GLU 553.A OE2 no hydrogen 2.754 N/A ARG 436.A N SER 434.A OG no hydrogen 2.981 N/A ARG 436.A NH1 PHE 549.A O no hydrogen 3.252 N/A ARG 436.A NH2 PHE 549.A O no hydrogen 2.930 N/A GLN 439.A N CYS 492.A O no hydrogen 2.822 N/A GLN 439.A NE2 SER 434.A OG no hydrogen 3.087 N/A LEU 441.A N VAL 490.A O no hydrogen 2.881 N/A LEU 443.A N ARG 488.A O no hydrogen 2.881 N/A ALA 445.A N HIS 486.A O no hydrogen 2.819 N/A ARG 446.A N TYR 563.A OH no hydrogen 3.020 N/A THR 447.A OG1 THR 449.A OG1 no hydrogen 3.332 N/A THR 447.A OG1 GLU 566.A OE1 no hydrogen 2.737 N/A THR 447.A OG1 GLU 566.A OE2 no hydrogen 3.551 N/A THR 449.A OG1 THR 447.A OG1 no hydrogen 3.332 N/A THR 449.A OG1 GLU 566.A OE2 no hydrogen 2.649 N/A ALA 450.A N THR 447.A OG1 no hydrogen 3.006 N/A LEU 451.A N THR 447.A O no hydrogen 3.067 N/A ASP 452.A N ARG 448.A O no hydrogen 3.002 N/A THR 453.A N THR 449.A O no hydrogen 2.937 N/A THR 453.A OG1 THR 449.A O no hydrogen 2.985 N/A LEU 454.A N ALA 450.A O no hydrogen 2.873 N/A THR 455.A N LEU 451.A O no hydrogen 2.906 N/A THR 455.A OG1 LEU 451.A O no hydrogen 2.641 N/A ASP 456.A N ASP 452.A O no hydrogen 3.054 N/A ASP 457.A N THR 453.A O no hydrogen 2.792 N/A LEU 458.A N LEU 454.A O no hydrogen 2.840 N/A ALA 459.A N THR 455.A O no hydrogen 3.049 N/A ASP 460.A N ASP 456.A O no hydrogen 2.844 N/A HIS 461.A N ASP 457.A O no hydrogen 2.913 N/A LEU 462.A N LEU 458.A O no hydrogen 2.906 N/A GLU 463.A N ALA 459.A O no hydrogen 2.968 N/A ALA 464.A N ASP 460.A O no hydrogen 2.984 N/A ASN 465.A N HIS 461.A O no hydrogen 2.804 N/A ASN 465.A ND2 HIS 461.A O no hydrogen 3.010 N/A THR 468.A N ASN 465.A O no hydrogen 3.057 N/A THR 468.A OG1 ASN 465.A O no hydrogen 2.614 N/A ASP 472.A N ASP 469.A OD2 no hydrogen 2.818 N/A ALA 473.A N ASP 469.A O no hydrogen 3.081 N/A ALA 474.A N LEU 470.A O no hydrogen 2.886 N/A HIS 475.A N ALA 471.A O no hydrogen 2.884 N/A HIS 475.A ND1 ARG 556.A O no hydrogen 3.016 N/A THR 476.A N ASP 472.A O no hydrogen 2.953 N/A THR 476.A OG1 ASP 472.A O no hydrogen 2.813 N/A THR 476.A OG1 ARG 556.A O no hydrogen 3.483 N/A LEU 477.A N ALA 473.A O no hydrogen 2.937 N/A ALA 478.A N ALA 474.A O no hydrogen 3.025 N/A ALA 478.A N HIS 475.A O no hydrogen 3.087 N/A VAL 479.A N HIS 475.A O no hydrogen 2.829 N/A GLY 480.A N THR 476.A O no hydrogen 2.776 N/A ARG 481.A NH1 GLU 100.A O no hydrogen 2.853 N/A ARG 481.A NH1 GLY 480.A O no hydrogen 2.960 N/A ARG 481.A NH2 GLU 100.A O no hydrogen 3.514 N/A ARG 481.A NH2 PRO 561.A O no hydrogen 3.043 N/A HIS 484.A N SER 444.A OG no hydrogen 2.816 N/A ARG 485.A NE.B GLU 514.A OE2 no hydrogen 2.518 N/A HIS 486.A N ALA 445.A O no hydrogen 2.951 N/A ARG 487.A N ALA 513.A O no hydrogen 3.027 N/A ARG 487.A NE HIS 484.A O no hydrogen 2.845 N/A ARG 487.A NH1 TRP 538.A O no hydrogen 2.945 N/A ARG 487.A NH2 HIS 484.A O no hydrogen 3.518 N/A ARG 488.A N LEU 443.A O no hydrogen 2.989 N/A ARG 488.A NE THR 512.A OG1 no hydrogen 2.873 N/A ARG 488.A NH1 ASP 452.A OD1 no hydrogen 3.131 N/A ARG 488.A NH1 THR 455.A OG1 no hydrogen 2.836 N/A ARG 488.A NH2 ASP 452.A OD1 no hydrogen 3.309 N/A ALA 489.A N ALA 511.A O no hydrogen 2.926 N/A VAL 490.A N LEU 441.A O no hydrogen 2.984 N/A ILE 491.A N ASP 509.A O no hydrogen 2.953 N/A CYS 492.A N GLN 439.A O no hydrogen 3.031 N/A CYS 492.A SG ASP 494.A O no hydrogen 3.950 N/A ARG 497.A N ASP 494.A OD1 no hydrogen 2.893 N/A ALA 498.A N ASP 494.A O no hydrogen 3.041 N/A VAL 499.A N PRO 495.A O no hydrogen 2.815 N/A ARG 500.A N ALA 496.A O no hydrogen 3.141 N/A ALA 501.A N ARG 497.A O no hydrogen 2.943 N/A LEU 502.A N ALA 498.A O no hydrogen 2.874 N/A ARG 503.A N VAL 499.A O no hydrogen 3.098 N/A ARG 503.A NH1 GLU 463.A OE2 no hydrogen 2.902 N/A ARG 503.A NH2 ASP 460.A OD1 no hydrogen 2.931 N/A ARG 503.A NH2 GLU 463.A OE1 no hydrogen 3.132 N/A GLU 504.A N ARG 500.A O no hydrogen 2.781 N/A ARG 505.A N ALA 501.A O no hydrogen 2.871 N/A ARG 505.A NE LEU 502.A O no hydrogen 2.999 N/A ARG 505.A NH1 ASP 456.A OD1 no hydrogen 2.649 N/A ARG 505.A NH1 LEU 502.A O no hydrogen 3.246 N/A CYS 510.A N ALA 506.A O no hydrogen 3.014 N/A ALA 511.A N ALA 489.A O no hydrogen 3.099 N/A ALA 513.A N ARG 487.A O no hydrogen 2.903 N/A ALA 515.A N ARG 485.A O.A no hydrogen 2.744 N/A ALA 515.A N ARG 485.A O.B no hydrogen 2.741 N/A PHE 519.A N GLU 543.A O no hydrogen 2.932 N/A LEU 525.A N GLY 522.A O no hydrogen 3.382 N/A ARG 528.A NE GLU 532.A OE2 no hydrogen 3.163 N/A ARG 528.A NH1 GLU 438.A OE1 no hydrogen 2.879 N/A ARG 528.A NH2 GLU 532.A OE2 no hydrogen 3.167 N/A LEU 530.A N SER 526.A O no hydrogen 3.172 N/A LEU 531.A N GLY 527.A O no hydrogen 3.146 N/A GLU 532.A N ARG 528.A O no hydrogen 2.809 N/A ALA 533.A N ALA 529.A O no hydrogen 2.996 N/A VAL 534.A N LEU 530.A O no hydrogen 2.855 N/A ARG 535.A N LEU 531.A O no hydrogen 2.778 N/A ARG 535.A NH1 ALA 489.A O no hydrogen 3.205 N/A ARG 535.A NH1 PRO 508.A O no hydrogen 3.127 N/A ARG 535.A NH1 ASP 509.A O no hydrogen 3.195 N/A ARG 535.A NH2 PRO 508.A O no hydrogen 2.857 N/A ARG 535.A NH2 GLU 532.A OE1 no hydrogen 2.884 N/A THR 536.A N GLU 532.A O no hydrogen 2.826 N/A THR 536.A OG1 GLU 532.A O no hydrogen 2.942 N/A ALA 537.A N ALA 533.A O no hydrogen 3.053 N/A TRP 538.A N VAL 534.A O no hydrogen 2.879 N/A LEU 539.A N ARG 535.A O no hydrogen 2.844 N/A ASP 540.A N THR 536.A O no hydrogen 3.105 N/A GLY 541.A N TRP 538.A O no hydrogen 2.787 N/A ALA 542.A N ALA 537.A O no hydrogen 2.922 N/A GLU 543.A N GLY 517.A O no hydrogen 2.881 N/A ARG 548.A N ASP 545.A OD1 no hydrogen 3.000 N/A PHE 549.A N ASP 545.A O no hydrogen 2.956 N/A TYR 550.A N TRP 546.A O no hydrogen 3.008 N/A ALA 551.A N ARG 548.A O no hydrogen 3.195 N/A GLU 553.A N TYR 550.A O no hydrogen 2.997 N/A ARG 554.A N GLU 432.A OE2 no hydrogen 2.951 N/A ARG 554.A NH1 GLU 432.A OE1 no hydrogen 2.896 N/A ARG 555.A NE ASP 472.A OD1 no hydrogen 2.718 N/A ARG 555.A NH1 GLU 432.A O no hydrogen 3.195 N/A ARG 555.A NH1 GLU 553.A OE1 no hydrogen 2.750 N/A ARG 555.A NH2 GLU 432.A O no hydrogen 2.714 N/A ARG 555.A NH2 ASP 472.A OD1 no hydrogen 2.861 N/A ARG 556.A N ASP 472.A OD1 no hydrogen 2.996 N/A ARG 556.A NH1 GLY 429.A O no hydrogen 3.490 N/A ARG 556.A NH2 GLY 429.A O no hydrogen 2.819 N/A ARG 557.A N GLY 254.A O no hydrogen 3.208 N/A ARG 557.A NE GLY 103.A O no hydrogen 2.829 N/A VAL 558.A N THR 476.A OG1 no hydrogen 3.043 N/A TYR 563.A N GLU 100.A OE1 no hydrogen 2.752 N/A GLU 566.A N ASP 70.A OD2 no hydrogen 2.845 N/A ARG 568.A N PHE 69.A O no hydrogen 3.132 N/A VAL 570.A N ASP 67.A O no hydrogen 2.821 N/A LEU 572.A N TYR 124.A OH no hydrogen 2.963 N/A