Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2rke_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 8.A N GLU 29.A OE1 no hydrogen 2.874 N/A SER 9.A N ASP 7.A OD1 no hydrogen 3.203 N/A SER 9.A OG ASP 7.A OD1 no hydrogen 2.830 N/A LYS 11.A N PHE 8.A O no hydrogen 3.047 N/A VAL 12.A N SER 9.A O no hydrogen 3.096 N/A ILE 13.A N ILE 40.A O no hydrogen 2.769 N/A GLN 14.A NE2 ILE 42.A O no hydrogen 3.117 N/A GLN 14.A NE2 GLU 49.A OE1 no hydrogen 2.429 N/A SER 19.A N SER 16.A O no hydrogen 3.356 N/A SER 19.A N SER 16.A OG no hydrogen 3.328 N/A SER 19.A OG SER 16.A O no hydrogen 2.991 N/A LEU 20.A N LEU 17.A O no hydrogen 3.344 N/A ARG 25.A N PRO 21.A O no hydrogen 3.011 N/A ARG 25.A NE GLU 29.A OE2 no hydrogen 2.752 N/A ARG 25.A NH1 ASP 18.A OD1 no hydrogen 3.024 N/A ARG 25.A NH2 GLU 29.A OE1 no hydrogen 3.021 N/A ARG 25.A NH2 GLU 29.A OE2 no hydrogen 3.322 N/A LYS 26.A N GLN 22.A O no hydrogen 3.121 N/A PHE 27.A N GLU 23.A O no hydrogen 3.162 N/A VAL 28.A N VAL 24.A O no hydrogen 2.915 N/A GLU 29.A N ARG 25.A O no hydrogen 2.788 N/A GLY 30.A N LYS 26.A O no hydrogen 2.939 N/A ASN 31.A N PHE 27.A O no hydrogen 3.246 N/A ASN 31.A ND2 PHE 27.A O no hydrogen 3.217 N/A ALA 32.A N VAL 28.A O no hydrogen 2.805 N/A GLN 33.A N GLU 29.A O no hydrogen 2.845 N/A GLN 33.A NE2 LEU 6.A O no hydrogen 2.794 N/A LEU 34.A N GLY 30.A O no hydrogen 3.169 N/A CYS 35.A N ASN 31.A O no hydrogen 2.809 N/A CYS 35.A SG ASN 31.A O no hydrogen 3.445 N/A CYS 35.A SG PHE 127.A O no hydrogen 3.961 N/A GLN 36.A N ALA 32.A O no hydrogen 2.811 N/A GLN 36.A NE2.B GLN 33.A O no hydrogen 2.640 N/A GLU 38.A N ARG 134.A O no hydrogen 2.675 N/A TYR 39.A N ARG 134.A O no hydrogen 3.398 N/A ILE 40.A N LYS 11.A O no hydrogen 2.866 N/A HIS 41.A N MET 136.A O no hydrogen 2.957 N/A HIS 41.A NE2 GLU 49.A OE1 no hydrogen 2.781 N/A ILE 42.A N GLN 14.A O no hydrogen 2.923 N/A CYS 43.A N VAL 138.A O no hydrogen 2.953 N/A CYS 43.A SG VAL 138.A O no hydrogen 3.438 N/A ASP 44.A N GLU 49.A OE1 no hydrogen 2.975 N/A GLY 45.A N GLU 49.A OE2 no hydrogen 2.899 N/A SER 46.A N ASP 44.A OD1 no hydrogen 2.854 N/A SER 46.A OG ASP 44.A OD1 no hydrogen 2.872 N/A SER 46.A OG ASP 44.A OD2 no hydrogen 3.515 N/A GLU 49.A N SER 46.A OG no hydrogen 2.925 N/A TYR 50.A N SER 46.A O no hydrogen 3.108 N/A GLY 51.A N GLU 47.A O no hydrogen 3.022 N/A ARG 52.A N GLU 48.A O no hydrogen 3.072 N/A LEU 53.A N GLU 49.A O no hydrogen 3.058 N/A LEU 54.A N TYR 50.A O no hydrogen 2.990 N/A ALA 55.A N GLY 51.A O no hydrogen 3.081 N/A HIS 56.A N ARG 52.A O no hydrogen 2.984 N/A MET 57.A N LEU 53.A O no hydrogen 2.939 N/A GLN 58.A N LEU 54.A O no hydrogen 2.790 N/A GLU 59.A N ALA 55.A O no hydrogen 2.761 N/A GLU 60.A N HIS 56.A O no hydrogen 3.066 N/A GLY 61.A N GLN 58.A O no hydrogen 3.311 N/A VAL 62.A N MET 57.A O no hydrogen 2.909 N/A ILE 63.A N MET 57.A O no hydrogen 3.399 N/A ARG 64.A N LEU 74.A O no hydrogen 2.961 N/A ARG 64.A NE.B GLU 359.A OE1 no hydrogen 2.860 N/A ARG 64.A NH2.B GLU 359.A OE1 no hydrogen 3.566 N/A ARG 64.A NH2.B GLU 359.A OE2 no hydrogen 3.002 N/A LEU 66.A N CYS 72.A O no hydrogen 2.977 N/A LYS 67.A NZ.B ASP 362.A O no hydrogen 3.504 N/A LYS 68.A N GLY 363.A O no hydrogen 3.310 N/A LYS 68.A NZ ASP 362.A OD2 no hydrogen 2.961 N/A TYR 69.A N LEU 66.A O no hydrogen 3.280 N/A ASP 70.A N GLN 349.A O no hydrogen 3.368 N/A ASN 71.A ND2 ASN 351.A OD1 no hydrogen 3.004 N/A CYS 72.A SG ASP 70.A O no hydrogen 3.669 N/A CYS 72.A SG ILE 348.A O no hydrogen 3.788 N/A TRP 73.A N THR 352.A O no hydrogen 3.070 N/A TRP 73.A NE1 ASN 71.A OD1 no hydrogen 3.023 N/A LEU 74.A N ARG 64.A O no hydrogen 2.812 N/A ALA 75.A N PHE 354.A O no hydrogen 2.934 N/A THR 77.A N ASN 356.A OD1 no hydrogen 2.895 N/A THR 77.A OG1 ASP 78.A O no hydrogen 3.188 N/A THR 77.A OG1 ASP 81.A O no hydrogen 2.982 N/A ARG 80.A N ASP 78.A OD1 no hydrogen 3.073 N/A ARG 80.A NE ASP 78.A OD1 no hydrogen 3.178 N/A ARG 80.A NE ASP 78.A OD2 no hydrogen 3.328 N/A ARG 80.A NH2 ASP 78.A OD2 no hydrogen 2.969 N/A ASP 81.A N ASP 78.A O no hydrogen 2.728 N/A LYS 88.A N ILE 85.A O no hydrogen 3.230 N/A THR 89.A N GLU 86.A O no hydrogen 3.048 N/A THR 89.A OG1 ILE 85.A O no hydrogen 2.585 N/A VAL 90.A N ILE 216.A O no hydrogen 2.791 N/A ILE 91.A N ARG 112.A O no hydrogen 2.915 N/A ILE 92.A N HIS 218.A O no hydrogen 2.914 N/A THR 93.A OG1 GLU 95.A O no hydrogen 2.821 N/A THR 93.A OG1 THR 99.A OG1 no hydrogen 2.961 N/A ARG 97.A NE ASP 593.A OD1 no hydrogen 3.156 N/A ARG 97.A NE ASP 593.A OD2 no hydrogen 3.297 N/A ARG 97.A NH2 ASP 593.A OD1 no hydrogen 2.719 N/A ASP 98.A N GLU 95.A O no hydrogen 3.161 N/A THR 99.A N GLN 96.A O no hydrogen 2.813 N/A THR 99.A OG1 THR 93.A OG1 no hydrogen 2.961 N/A VAL 100.A N GLN 96.A O no hydrogen 3.054 N/A LYS 104.A N ASP 588.A O no hydrogen 2.870 N/A LYS 104.A NZ.A GLU 587.A O no hydrogen 3.437 N/A SER 105.A N ASP 588.A OD2 no hydrogen 3.087 N/A SER 105.A OG ASP 588.A OD2 no hydrogen 3.506 N/A GLY 106.A N ASP 588.A OD2 no hydrogen 3.241 N/A GLN 109.A N GLN 589.A OE1 no hydrogen 2.823 N/A LEU 110.A N SER 108.A OG no hydrogen 3.129 N/A TRP 113.A NE1 THR 93.A O no hydrogen 2.844 N/A MET 114.A N ILE 91.A O no hydrogen 3.018 N/A ASP 118.A N SER 115.A OG no hydrogen 3.085 N/A PHE 119.A N SER 115.A O no hydrogen 2.931 N/A GLU 120.A N GLU 116.A O no hydrogen 2.941 N/A LYS 121.A N GLU 117.A O no hydrogen 3.211 N/A ALA 122.A N ASP 118.A O no hydrogen 3.046 N/A PHE 123.A N PHE 119.A O no hydrogen 2.774 N/A ASN 124.A N GLU 120.A O no hydrogen 3.059 N/A ALA 125.A N LYS 121.A O no hydrogen 3.137 N/A ALA 125.A N ALA 122.A O no hydrogen 3.225 N/A ARG 126.A N PHE 123.A O no hydrogen 3.297 N/A ARG 126.A NE LEU 213.A O no hydrogen 2.703 N/A ARG 126.A NH1 ALA 122.A O no hydrogen 3.060 N/A ARG 126.A NH2 LEU 213.A O no hydrogen 3.423 N/A PHE 127.A N PHE 123.A O no hydrogen 2.941 N/A GLY 129.A N LEU 34.A O no hydrogen 2.844 N/A CYS 130.A N PHE 127.A O no hydrogen 3.091 N/A CYS 130.A SG PHE 127.A O no hydrogen 3.202 N/A CYS 130.A SG SER 192.A OG no hydrogen 3.326 N/A MET 131.A N CYS 35.A O no hydrogen 2.797 N/A LYS 132.A N GLY 129.A O no hydrogen 3.238 N/A ARG 134.A N MET 131.A O no hydrogen 2.868 N/A ARG 134.A NE CYS 195.A O no hydrogen 3.056 N/A ARG 134.A NH2 CYS 195.A O no hydrogen 2.768 N/A MET 136.A N TYR 39.A O no hydrogen 2.696 N/A TYR 137.A N THR 158.A O no hydrogen 2.799 N/A VAL 138.A N HIS 41.A O no hydrogen 2.863 N/A ILE 139.A N GLU 156.A O no hydrogen 2.637 N/A PHE 141.A N GLY 154.A O no hydrogen 2.944 N/A SER 142.A N ARG 172.A O no hydrogen 2.786 N/A SER 142.A OG GLY 144.A O no hydrogen 2.967 N/A MET 143.A N LYS 152.A O no hydrogen 2.836 N/A GLY 144.A N PRO 325.A O no hydrogen 2.708 N/A SER 148.A N PRO 145.A O no hydrogen 2.968 N/A SER 148.A OG PRO 420.A O no hydrogen 2.980 N/A LEU 150.A N SER 148.A OG no hydrogen 3.094 N/A ALA 151.A N SER 148.A O no hydrogen 3.053 N/A LYS 152.A N MET 143.A O no hydrogen 3.033 N/A LYS 152.A NZ GLU 255.A OE1 no hydrogen 3.155 N/A GLY 154.A N PHE 141.A O no hydrogen 2.764 N/A ILE 155.A N ILE 187.A O no hydrogen 2.962 N/A GLU 156.A N ILE 139.A O no hydrogen 2.933 N/A LEU 157.A N CYS 189.A O no hydrogen 2.814 N/A THR 158.A N TYR 137.A O no hydrogen 3.069 N/A THR 158.A OG1 HIS 191.A ND1 no hydrogen 3.027 N/A SER 160.A N THR 158.A OG1 no hydrogen 3.023 N/A TYR 162.A OH THR 355.A OG1 no hydrogen 2.661 N/A VAL 163.A N SER 160.A OG no hydrogen 3.159 N/A VAL 164.A N SER 160.A O no hydrogen 3.185 N/A ALA 165.A N PRO 161.A O no hydrogen 2.938 N/A SER 166.A N TYR 162.A O no hydrogen 2.942 N/A SER 166.A OG TYR 162.A O no hydrogen 2.816 N/A MET 167.A N VAL 163.A O no hydrogen 2.773 N/A ARG 168.A N VAL 164.A O no hydrogen 3.045 N/A ARG 168.A NE GLY 45.A O no hydrogen 2.948 N/A ARG 168.A NH2 GLY 45.A O no hydrogen 2.996 N/A MET 170.A N SER 166.A O no hydrogen 2.939 N/A THR 171.A N MET 167.A O no hydrogen 2.935 N/A THR 171.A OG1 MET 167.A O no hydrogen 2.723 N/A ARG 172.A N SER 142.A O no hydrogen 3.460 N/A ARG 172.A NH1 GLU 326.A O no hydrogen 3.226 N/A ARG 172.A NH2 GLU 418.A OE1 no hydrogen 3.044 N/A GLY 174.A N PRO 140.A O no hydrogen 3.085 N/A THR 175.A N ASP 44.A O no hydrogen 3.161 N/A VAL 177.A N GLY 174.A O no hydrogen 3.070 N/A GLU 179.A N THR 175.A O no hydrogen 2.940 N/A ALA 180.A N SER 176.A O no hydrogen 3.090 N/A LEU 181.A N VAL 177.A O no hydrogen 2.892 N/A GLY 182.A N LEU 178.A O no hydrogen 3.327 N/A GLY 184.A N LEU 181.A O no hydrogen 3.095 N/A ILE 187.A N ILE 153.A O no hydrogen 3.107 N/A LYS 188.A N ARG 223.A O no hydrogen 2.996 N/A LYS 188.A NZ ARG 222.A O no hydrogen 3.212 N/A LYS 188.A NZ GLU 224.A OE1 no hydrogen 3.458 N/A CYS 189.A N ILE 155.A O no hydrogen 2.923 N/A CYS 189.A SG ILE 187.A O no hydrogen 3.980 N/A LEU 190.A N ILE 225.A O no hydrogen 2.911 N/A HIS 191.A N LEU 157.A O no hydrogen 2.908 N/A HIS 191.A ND1 THR 158.A OG1 no hydrogen 3.027 N/A HIS 191.A NE2 SER 230.A O no hydrogen 2.532 N/A SER 192.A N SER 227.A O no hydrogen 3.020 N/A SER 192.A OG ASP 159.A OD2 no hydrogen 2.879 N/A VAL 193.A N ASP 159.A OD1 no hydrogen 2.965 N/A GLY 194.A N SER 192.A OG no hydrogen 2.938 N/A CYS 195.A SG VAL 193.A O no hydrogen 3.839 N/A CYS 195.A SG CYS 209.A O no hydrogen 3.040 N/A LEU 197.A N LYS 132.A O no hydrogen 2.618 N/A ASN 205.A ND2 THR 77.A O no hydrogen 3.297 N/A TRP 207.A N VAL 204.A O no hydrogen 2.976 N/A TRP 207.A NE1 ASP 81.A OD2 no hydrogen 2.718 N/A CYS 209.A SG ASP 78.A OD2 no hydrogen 3.558 N/A CYS 209.A SG TRP 207.A O no hydrogen 3.847 N/A ASN 210.A N GLY 229.A O no hydrogen 2.699 N/A ASN 210.A ND2 GLY 194.A O no hydrogen 2.863 N/A GLU 212.A N GLU 212.A OE2 no hydrogen 2.784 N/A LEU 213.A N ASN 210.A O no hydrogen 3.214 N/A THR 214.A N PRO 211.A O no hydrogen 3.424 N/A THR 214.A OG1 ASN 210.A O no hydrogen 2.952 N/A LEU 215.A N PHE 228.A O no hydrogen 2.896 N/A ILE 216.A N LYS 88.A O no hydrogen 2.785 N/A ALA 217.A N ILE 226.A O no hydrogen 2.786 N/A HIS 218.A N VAL 90.A O no hydrogen 3.019 N/A HIS 218.A ND1 VAL 90.A O no hydrogen 2.843 N/A LEU 219.A N GLU 224.A O no hydrogen 2.813 N/A ARG 222.A N LEU 219.A O no hydrogen 3.036 N/A ARG 223.A N PRO 220.A O no hydrogen 3.162 N/A ARG 223.A NH1.A PRO 220.A O no hydrogen 2.701 N/A ARG 223.A NH1.A GLU 254.A OE1 no hydrogen 3.527 N/A ARG 223.A NH2.A GLU 254.A OE2 no hydrogen 3.248 N/A GLU 224.A N LEU 219.A O no hydrogen 3.044 N/A ILE 225.A N LYS 188.A O no hydrogen 2.703 N/A ILE 226.A N ALA 217.A O no hydrogen 2.786 N/A SER 227.A N LEU 190.A O no hydrogen 2.893 N/A SER 227.A OG ASN 235.A O no hydrogen 2.477 N/A PHE 228.A N LEU 215.A O no hydrogen 2.871 N/A GLY 229.A N SER 192.A O no hydrogen 2.779 N/A SER 230.A OG ASP 81.A OD1 no hydrogen 2.445 N/A SER 230.A OG ASP 81.A OD2 no hydrogen 3.354 N/A GLY 231.A N ASP 81.A OD2 no hydrogen 2.857 N/A TYR 232.A N SER 230.A OG no hydrogen 3.090 N/A TYR 232.A OH ASN 400.A O no hydrogen 2.830 N/A ASN 235.A N TYR 232.A O no hydrogen 2.871 N/A ASN 235.A ND2 ALA 83.A O no hydrogen 3.067 N/A ASN 235.A ND2 SER 230.A OG no hydrogen 2.963 N/A SER 236.A N GLY 233.A O no hydrogen 3.065 N/A SER 236.A OG GLY 231.A O no hydrogen 2.732 N/A SER 236.A OG GLY 233.A O no hydrogen 3.497 N/A LEU 237.A N GLY 233.A O no hydrogen 2.826 N/A LEU 238.A N GLU 156.A OE1 no hydrogen 3.196 N/A LYS 240.A N LEU 237.A O no hydrogen 3.450 N/A LYS 240.A NZ ASP 308.A OD2 no hydrogen 2.726 N/A LYS 240.A NZ GLU 326.A OE2 no hydrogen 2.758 N/A LYS 241.A NZ ASP 308.A OD1 no hydrogen 3.129 N/A LYS 241.A NZ ASP 308.A OD2 no hydrogen 2.812 N/A CYS 242.A SG HIS 218.A NE2 no hydrogen 3.396 N/A CYS 242.A SG GLY 234.A O no hydrogen 3.700 N/A PHE 243.A N LEU 238.A O no hydrogen 2.872 N/A ALA 244.A N GLY 239.A O no hydrogen 2.831 N/A LEU 245.A N LYS 241.A O no hydrogen 3.130 N/A ARG 246.A N LYS 241.A O no hydrogen 2.964 N/A ARG 246.A NE PRO 474.A O no hydrogen 2.971 N/A ARG 246.A NH1 HIS 218.A NE2 no hydrogen 3.034 N/A ARG 246.A NH2 PRO 474.A O no hydrogen 2.956 N/A ILE 247.A N CYS 242.A O no hydrogen 2.920 N/A ALA 248.A N PHE 243.A O no hydrogen 2.934 N/A SER 249.A N LEU 245.A O no hydrogen 2.872 N/A SER 249.A OG LEU 245.A O no hydrogen 2.717 N/A SER 249.A OG ARG 246.A O no hydrogen 3.020 N/A ARG 250.A N ILE 247.A O no hydrogen 3.038 N/A ARG 250.A NH1 ASP 221.A OD2 no hydrogen 3.427 N/A ARG 250.A NH1 GLU 254.A OE1 no hydrogen 2.703 N/A ARG 250.A NH2 ASP 221.A OD2 no hydrogen 2.618 N/A LEU 251.A N ILE 247.A O no hydrogen 3.142 N/A ALA 252.A N ALA 248.A O no hydrogen 2.844 N/A LYS 253.A N SER 249.A O no hydrogen 3.161 N/A GLU 254.A N ARG 250.A O no hydrogen 3.018 N/A GLU 255.A N LEU 251.A O no hydrogen 2.760 N/A GLU 255.A N ALA 252.A O no hydrogen 3.150 N/A GLY 256.A N ALA 252.A O no hydrogen 2.664 N/A TRP 257.A N ALA 252.A O no hydrogen 2.940 N/A TRP 257.A NE1 GLU 255.A OE1 no hydrogen 2.760 N/A LEU 258.A N MET 312.A O no hydrogen 2.828 N/A GLU 260.A N ALA 310.A O no hydrogen 2.934 N/A HIS 261.A ND1 ALA 471.A O no hydrogen 2.762 N/A HIS 261.A NE2 ASP 308.A OD1 no hydrogen 3.009 N/A LEU 263.A N ALA 279.A O no hydrogen 2.770 N/A ILE 264.A N GLY 306.A O no hydrogen 2.936 N/A LEU 265.A N LEU 277.A O no hydrogen 2.950 N/A GLY 266.A N GLU 303.A O no hydrogen 2.707 N/A ILE 267.A N LYS 275.A O no hydrogen 2.726 N/A THR 268.A N LYS 301.A O no hydrogen 2.873 N/A ASN 269.A N LYS 273.A O no hydrogen 2.908 N/A GLY 272.A N ASN 269.A O no hydrogen 3.060 N/A LYS 273.A NZ GLU 535.A OE1.A no hydrogen 2.675 N/A LYS 273.A NZ GLU 535.A OE2.A no hydrogen 3.083 N/A LYS 274.A NZ TYR 276.A OH no hydrogen 3.017 N/A LYS 274.A NZ GLU 303.A OE1 no hydrogen 3.246 N/A LYS 274.A NZ ASP 414.A OD1 no hydrogen 2.799 N/A LYS 275.A N ILE 267.A O no hydrogen 2.838 N/A LYS 275.A NZ GLU 426.A OE1 no hydrogen 2.666 N/A LYS 275.A NZ GLU 535.A OE2.A no hydrogen 2.643 N/A TYR 276.A OH ASP 414.A OD1 no hydrogen 3.185 N/A TYR 276.A OH ASP 414.A OD2 no hydrogen 2.734 N/A LEU 277.A N LEU 265.A O no hydrogen 2.849 N/A ALA 278.A N GLY 427.A O no hydrogen 2.978 N/A ALA 279.A N LEU 263.A O no hydrogen 3.059 N/A ALA 280.A N ILE 429.A O no hydrogen 2.826 N/A CYS 285.A SG.A SER 459.A OG no hydrogen 3.611 N/A CYS 285.A SG.B SER 283.A O no hydrogen 3.157 N/A CYS 285.A SG.B SER 459.A OG no hydrogen 3.618 N/A LYS 287.A NZ HIS 261.A O no hydrogen 3.540 N/A LYS 287.A NZ ASP 308.A O no hydrogen 3.069 N/A LYS 287.A NZ ASP 308.A OD1 no hydrogen 3.159 N/A THR 288.A OG1 ASP 307.A OD2 no hydrogen 2.825 N/A LEU 290.A N GLY 286.A O no hydrogen 3.123 N/A ALA 291.A N LYS 287.A O no hydrogen 2.858 N/A MET 292.A N THR 288.A O no hydrogen 2.972 N/A MET 293.A N LEU 290.A O no hydrogen 3.244 N/A THR 296.A OG1 GLY 521.A O no hydrogen 3.401 N/A THR 296.A OG1 GLU 522.A OE1 no hydrogen 2.645 N/A TRP 300.A N LEU 297.A O no hydrogen 3.294 N/A LYS 301.A N THR 268.A O no hydrogen 2.933 N/A GLU 303.A N GLY 266.A O no hydrogen 2.762 N/A CYS 304.A N ILE 412.A O no hydrogen 2.870 N/A VAL 305.A N ILE 264.A O no hydrogen 3.193 N/A GLY 306.A N ILE 264.A O no hydrogen 3.201 N/A ALA 310.A N GLU 260.A O no hydrogen 3.005 N/A TRP 311.A N ILE 323.A O no hydrogen 2.946 N/A TRP 311.A NE1 ALA 244.A O no hydrogen 2.917 N/A MET 312.A N LEU 258.A O no hydrogen 2.860 N/A LYS 313.A N ARG 321.A O no hydrogen 2.858 N/A ASP 315.A N ASN 319.A O no hydrogen 2.916 N/A GLN 317.A N ASP 315.A OD1 no hydrogen 2.942 N/A GLY 318.A N ASP 315.A O no hydrogen 3.130 N/A ASN 319.A N ASP 315.A OD1 no hydrogen 2.949 N/A ARG 321.A N LYS 313.A O no hydrogen 2.830 N/A ARG 321.A NE ASP 315.A OD2 no hydrogen 3.311 N/A ARG 321.A NH1 GLY 422.A O no hydrogen 3.018 N/A ALA 322.A N VAL 423.A O no hydrogen 2.848 N/A ILE 323.A N TRP 311.A O no hydrogen 2.904 N/A ASN 324.A ND2 VAL 305.A O no hydrogen 2.953 N/A GLU 326.A N ASN 324.A OD1 no hydrogen 3.045 N/A ASN 327.A N MET 170.A O no hydrogen 2.900 N/A ASN 327.A ND2 THR 171.A O no hydrogen 3.003 N/A PHE 329.A N THR 405.A O no hydrogen 2.817 N/A ALA 333.A N SER 401.A O no hydrogen 2.922 N/A GLY 335.A N GLU 368.A O no hydrogen 2.876 N/A THR 336.A N ALA 333.A O no hydrogen 3.045 N/A THR 336.A OG1 VAL 332.A O no hydrogen 3.081 N/A THR 336.A OG1 ALA 333.A O no hydrogen 2.795 N/A SER 337.A N THR 340.A OG1 no hydrogen 2.883 N/A SER 337.A OG.A GLY 369.A O no hydrogen 2.504 N/A SER 337.A OG.B THR 340.A OG1 no hydrogen 3.230 N/A THR 340.A N SER 337.A OG.B no hydrogen 3.054 N/A THR 340.A OG1 GLY 335.A O no hydrogen 2.745 N/A THR 340.A OG1 SER 337.A OG.B no hydrogen 3.230 N/A ASN 341.A N SER 337.A O no hydrogen 2.875 N/A ASN 341.A ND2 ASN 289.A OD1 no hydrogen 3.242 N/A ASN 343.A ND2 MET 292.A O no hydrogen 2.915 N/A ALA 344.A N ASN 341.A O no hydrogen 3.189 N/A ALA 344.A N ASN 341.A OD1 no hydrogen 3.094 N/A ILE 345.A N ASN 341.A O no hydrogen 3.294 N/A LYS 346.A N PRO 342.A O no hydrogen 3.187 N/A THR 347.A N ASN 343.A O no hydrogen 3.141 N/A THR 347.A N ALA 344.A O no hydrogen 3.074 N/A THR 347.A OG1 ASN 343.A O no hydrogen 2.655 N/A ILE 348.A N ALA 344.A O no hydrogen 3.060 N/A GLN 349.A NE2 ILE 345.A O no hydrogen 3.364 N/A ASN 351.A N ASP 70.A O no hydrogen 2.854 N/A ASN 351.A ND2 GLN 409.A OE1 no hydrogen 2.893 N/A THR 352.A OG1 LYS 350.A O no hydrogen 2.855 N/A THR 352.A OG1 THR 405.A OG1 no hydrogen 2.791 N/A ILE 353.A N CYS 404.A O no hydrogen 3.017 N/A PHE 354.A N TRP 73.A O no hydrogen 2.738 N/A THR 355.A N ARG 402.A O no hydrogen 2.944 N/A THR 355.A OG1 TYR 162.A OH no hydrogen 2.661 N/A ASN 356.A N ALA 75.A O no hydrogen 2.887 N/A ASN 356.A ND2 THR 77.A OG1 no hydrogen 3.016 N/A ALA 358.A N TYR 366.A O no hydrogen 2.876 N/A GLU 359.A N THR 381.A O no hydrogen 2.746 N/A THR 360.A N GLY 364.A O no hydrogen 2.951 N/A THR 360.A OG1 ASP 362.A OD1 no hydrogen 2.553 N/A SER 361.A N THR 379.A O no hydrogen 2.795 N/A GLY 363.A N THR 360.A O no hydrogen 2.824 N/A GLY 364.A N THR 360.A OG1 no hydrogen 2.870 N/A VAL 365.A N TYR 69.A OH no hydrogen 3.305 N/A TYR 366.A N ALA 358.A O no hydrogen 2.825 N/A TYR 366.A OH GLU 372.A O no hydrogen 3.081 N/A TRP 367.A NE1 THR 336.A O no hydrogen 2.799 N/A ILE 370.A N TRP 367.A O no hydrogen 2.980 N/A VAL 378.A N ALA 375.A O no hydrogen 3.060 N/A THR 379.A N SER 361.A OG no hydrogen 3.022 N/A THR 381.A N GLU 359.A O no hydrogen 2.758 N/A SER 382.A N LYS 386.A O no hydrogen 2.837 N/A TRP 383.A N CYS 396.A O no hydrogen 2.833 N/A LYS 384.A N SER 382.A OG no hydrogen 3.275 N/A ASN 385.A N SER 382.A O no hydrogen 3.007 N/A TRP 388.A N ILE 380.A O no hydrogen 2.963 N/A TRP 388.A NE1 GLU 394.A O no hydrogen 2.817 N/A ASP 392.A N ARG 389.A O no hydrogen 2.930 N/A CYS 396.A N GLU 368.A OE1.A no hydrogen 2.919 N/A CYS 396.A N GLU 368.A OE1.B no hydrogen 2.718 N/A CYS 396.A SG GLU 368.A OE1.A no hydrogen 3.511 N/A CYS 396.A SG GLU 368.A OE1.B no hydrogen 3.274 N/A CYS 396.A SG GLU 368.A OE2.B no hydrogen 3.521 N/A ALA 397.A N GLU 368.A OE2.B no hydrogen 3.019 N/A HIS 398.A N ASN 356.A O no hydrogen 3.086 N/A ASN 400.A N HIS 398.A ND1 no hydrogen 2.990 N/A ASN 400.A ND2 VAL 82.A O no hydrogen 2.997 N/A SER 401.A N HIS 398.A O no hydrogen 2.955 N/A SER 401.A OG HIS 398.A O no hydrogen 2.791 N/A ARG 402.A N THR 355.A O no hydrogen 2.943 N/A ARG 402.A NE ASN 400.A O no hydrogen 3.320 N/A ARG 402.A NH1 PHE 330.A O no hydrogen 2.923 N/A ARG 402.A NH2 ASN 400.A OD1 no hydrogen 2.798 N/A PHE 403.A N GLY 331.A O no hydrogen 2.977 N/A CYS 404.A N ILE 353.A O no hydrogen 2.744 N/A CYS 404.A SG SER 166.A O no hydrogen 3.968 N/A THR 405.A N PHE 329.A O no hydrogen 2.986 N/A THR 405.A OG1 THR 347.A O no hydrogen 3.374 N/A THR 405.A OG1 THR 352.A OG1 no hydrogen 2.791 N/A ALA 407.A N ASN 327.A O no hydrogen 3.178 N/A GLN 409.A N PRO 406.A O no hydrogen 3.277 N/A GLN 409.A NE2 THR 347.A O no hydrogen 2.835 N/A GLN 409.A NE2 LYS 350.A O no hydrogen 2.805 N/A CYS 410.A N ALA 407.A O no hydrogen 2.950 N/A ILE 413.A N CYS 410.A O no hydrogen 3.096 N/A ASP 414.A N CYS 304.A O no hydrogen 2.786 N/A ALA 416.A N ASP 414.A OD2 no hydrogen 2.902 N/A TRP 417.A N ASP 414.A O no hydrogen 2.916 N/A SER 419.A N ALA 416.A O no hydrogen 3.039 N/A SER 419.A OG.A GLU 421.A OE1.A no hydrogen 2.185 N/A SER 419.A OG.A GLU 421.A OE2.A no hydrogen 2.161 N/A SER 419.A OG.B ALA 416.A O no hydrogen 3.549 N/A GLY 422.A N SER 419.A O no hydrogen 3.149 N/A VAL 423.A N ALA 322.A O no hydrogen 2.791 N/A ILE 425.A N LEU 320.A O no hydrogen 2.781 N/A GLU 426.A N TYR 276.A O no hydrogen 2.961 N/A ILE 428.A N LYS 500.A O no hydrogen 2.832 N/A ILE 429.A N ALA 278.A O no hydrogen 2.775 N/A PHE 430.A N PHE 502.A O no hydrogen 2.947 N/A ARG 433.A N SER 459.A OG no hydrogen 2.734 N/A ARG 433.A NH1 ALA 284.A O no hydrogen 2.333 N/A ARG 433.A NH2 ALA 284.A O no hydrogen 2.870 N/A ARG 434.A N ASN 505.A OD1 no hydrogen 3.184 N/A ARG 434.A NH1 GLU 578.A OE2 no hydrogen 2.940 N/A ARG 434.A NH2 GLU 578.A OE1 no hydrogen 2.837 N/A ARG 434.A NH2 GLU 578.A OE2 no hydrogen 3.570 N/A VAL 438.A N ALA 436.A O no hydrogen 2.971 N/A LEU 440.A N LEU 567.A O no hydrogen 3.349 N/A TYR 442.A N HIS 503.A O no hydrogen 2.937 N/A GLU 443.A N TYR 547.A O no hydrogen 2.708 N/A ALA 444.A N ILE 501.A O no hydrogen 2.878 N/A LEU 445.A N HIS 449.A ND1 no hydrogen 2.906 N/A SER 446.A OG GLN 448.A OE1 no hydrogen 3.404 N/A TRP 447.A NE1 TRP 487.A O no hydrogen 2.854 N/A HIS 449.A N SER 446.A OG no hydrogen 3.150 N/A GLY 450.A N SER 446.A O no hydrogen 2.849 N/A VAL 451.A N TRP 447.A O no hydrogen 2.811 N/A PHE 452.A N GLN 448.A O no hydrogen 3.012 N/A VAL 453.A N HIS 449.A O no hydrogen 2.798 N/A GLY 454.A N GLY 450.A O no hydrogen 3.082 N/A ALA 455.A N VAL 451.A O no hydrogen 2.964 N/A ALA 456.A N PHE 452.A O no hydrogen 2.943 N/A ALA 456.A N VAL 453.A O no hydrogen 3.283 N/A MET 457.A N GLY 454.A O no hydrogen 3.324 N/A ARG 458.A NH1 GLU 578.A OE2 no hydrogen 2.990 N/A SER 459.A N MET 466.A O no hydrogen 2.906 N/A GLU 460.A N ARG 433.A O no hydrogen 2.850 N/A ALA 461.A N VAL 464.A O no hydrogen 3.041 N/A LYS 463.A NZ ALA 461.A O no hydrogen 3.415 N/A MET 466.A N SER 459.A O no hydrogen 3.019 N/A HIS 467.A NE2 GLU 581.A OE2 no hydrogen 2.370 N/A ASP 468.A N MET 457.A O no hydrogen 2.970 N/A PHE 470.A N GLY 454.A O no hydrogen 2.976 N/A ALA 471.A N ASP 468.A O no hydrogen 2.864 N/A MET 472.A N PRO 469.A O no hydrogen 2.776 N/A ARG 473.A N ASP 468.A OD1 no hydrogen 2.976 N/A ARG 473.A NH1 GLU 86.A OE1 no hydrogen 2.535 N/A ARG 473.A NH1 GLN 109.A O no hydrogen 2.766 N/A ARG 473.A NH2 GLU 86.A OE1 no hydrogen 3.097 N/A ARG 473.A NH2 GLU 86.A OE2 no hydrogen 2.450 N/A PHE 475.A N MET 472.A O no hydrogen 2.746 N/A GLY 477.A N SER 249.A OG no hydrogen 3.261 N/A ASN 479.A N ASP 98.A O no hydrogen 2.942 N/A ASN 479.A ND2 ARG 97.A O no hydrogen 2.755 N/A ASN 479.A ND2 ASP 593.A OD2 no hydrogen 2.807 N/A LYS 482.A N ASN 479.A OD1 no hydrogen 3.111 N/A TYR 483.A N ASN 479.A O no hydrogen 2.997 N/A TYR 483.A OH GLU 260.A OE1 no hydrogen 2.638 N/A TYR 483.A OH GLU 260.A OE2 no hydrogen 3.352 N/A LEU 484.A N PHE 480.A O no hydrogen 2.834 N/A ALA 485.A N GLY 481.A O no hydrogen 2.978 N/A HIS 486.A N LYS 482.A O no hydrogen 2.902 N/A HIS 486.A NE2 TRP 257.A O no hydrogen 2.726 N/A TRP 487.A N TYR 483.A O no hydrogen 3.077 N/A TRP 487.A NE1 GLU 260.A OE2 no hydrogen 2.955 N/A LEU 488.A N LEU 484.A O no hydrogen 2.885 N/A SER 489.A N ALA 485.A O no hydrogen 2.924 N/A SER 489.A OG HIS 486.A O no hydrogen 2.685 N/A MET 490.A N TRP 487.A O no hydrogen 3.188 N/A ALA 491.A N LEU 488.A O no hydrogen 3.284 N/A HIS 492.A N SER 489.A O no hydrogen 2.940 N/A ARG 493.A N MET 490.A O no hydrogen 3.273 N/A ARG 493.A NH1 GLY 256.A O no hydrogen 2.972 N/A ALA 496.A N ARG 493.A O no hydrogen 3.394 N/A LYS 497.A N GLY 318.A O no hydrogen 2.772 N/A LYS 500.A N GLU 426.A O no hydrogen 3.266 N/A LYS 500.A NZ GLU 443.A OE2 no hydrogen 2.808 N/A PHE 502.A N ILE 428.A O no hydrogen 2.891 N/A HIS 503.A N TYR 442.A O no hydrogen 2.799 N/A VAL 504.A N PHE 430.A O no hydrogen 2.790 N/A ASN 505.A N LEU 440.A O no hydrogen 2.942 N/A ASN 505.A ND2 ARG 434.A O no hydrogen 2.706 N/A ASN 505.A ND2 VAL 438.A O no hydrogen 2.883 N/A PHE 507.A N ASN 505.A OD1 no hydrogen 3.158 N/A ARG 508.A NH1 LEU 567.A O no hydrogen 2.972 N/A ARG 508.A NH1 GLY 569.A O no hydrogen 2.867 N/A ARG 508.A NH2 GLY 569.A O no hydrogen 3.039 N/A LYS 509.A N PRO 435.A O no hydrogen 2.816 N/A ASP 510.A N LYS 514.A O no hydrogen 3.059 N/A ASN 512.A N ASP 510.A OD2 no hydrogen 3.157 N/A GLY 513.A N ASP 510.A O no hydrogen 3.341 N/A LYS 514.A N ASP 510.A OD2 no hydrogen 2.881 N/A LYS 514.A NZ PHE 515.A O no hydrogen 3.224 N/A LEU 516.A N ARG 508.A O no hydrogen 2.930 N/A TRP 517.A NE1 ASN 523.A OD1 no hydrogen 2.592 N/A GLU 522.A N GLY 519.A O no hydrogen 3.000 N/A ASN 523.A N PHE 520.A O no hydrogen 2.990 N/A SER 524.A N GLY 521.A O no hydrogen 3.226 N/A SER 524.A OG GLY 521.A O no hydrogen 2.852 N/A ARG 525.A N GLU 522.A O no hydrogen 3.230 N/A ARG 525.A NE GLU 522.A OE1 no hydrogen 2.831 N/A ARG 525.A NH1 ASN 555.A O no hydrogen 2.768 N/A ARG 525.A NH1 LYS 557.A O no hydrogen 2.836 N/A ARG 525.A NH2 GLU 522.A OE1 no hydrogen 2.955 N/A ARG 525.A NH2 LYS 557.A O no hydrogen 3.143 N/A LEU 527.A N ASN 523.A O no hydrogen 3.061 N/A GLU 528.A N SER 524.A O no hydrogen 2.885 N/A TRP 529.A N ARG 525.A O no hydrogen 3.438 N/A TRP 529.A NE1 SER 539.A O no hydrogen 3.032 N/A MET 530.A N VAL 526.A O no hydrogen 3.160 N/A PHE 531.A N LEU 527.A O no hydrogen 2.922 N/A GLY 532.A N GLU 528.A O no hydrogen 3.063 N/A ARG 533.A N TRP 529.A O no hydrogen 2.988 N/A ARG 533.A NE GLU 443.A OE1 no hydrogen 2.736 N/A ARG 533.A NH1 GLU 537.A O no hydrogen 3.011 N/A ARG 533.A NH2 GLU 443.A OE1 no hydrogen 3.512 N/A ARG 533.A NH2 GLU 443.A OE2 no hydrogen 2.848 N/A ILE 534.A N MET 530.A O no hydrogen 2.897 N/A GLU 535.A N PHE 531.A O no hydrogen 3.094 N/A GLY 536.A N ARG 533.A O no hydrogen 2.967 N/A GLU 537.A N GLY 532.A O no hydrogen 3.012 N/A LYS 541.A N VAL 548.A O no hydrogen 2.819 N/A THR 543.A N GLY 546.A O no hydrogen 2.977 N/A THR 543.A OG1 GLY 546.A O no hydrogen 2.656 N/A ILE 545.A N THR 543.A OG1 no hydrogen 3.330 N/A GLY 546.A N THR 543.A O no hydrogen 3.198 N/A TYR 547.A N GLU 443.A O no hydrogen 2.875 N/A VAL 548.A N LYS 541.A O no hydrogen 2.931 N/A LYS 550.A N SER 539.A O no hydrogen 2.938 N/A LYS 550.A NZ ASP 538.A O no hydrogen 2.810 N/A LYS 550.A NZ ASP 538.A OD2 no hydrogen 3.209 N/A ALA 553.A N LYS 550.A O no hydrogen 3.063 N/A LYS 557.A N ASN 555.A OD1 no hydrogen 3.084 N/A LEU 559.A N LEU 556.A O no hydrogen 3.132 N/A ASN 563.A ND2 GLU 566.A OE1 no hydrogen 2.816 N/A GLU 566.A N ASN 563.A OD1 no hydrogen 3.481 N/A LEU 567.A N ASN 563.A O no hydrogen 3.077 N/A PHE 568.A N VAL 564.A O no hydrogen 3.010 N/A GLY 569.A N GLU 566.A O no hydrogen 3.447 N/A SER 571.A OG GLU 573.A OE1 no hydrogen 3.496 N/A LYS 572.A NZ SER 610.A O no hydrogen 3.351 N/A LYS 572.A NZ MET 612.A O no hydrogen 2.879 N/A PHE 574.A N SER 571.A OG no hydrogen 3.155 N/A TRP 575.A N SER 571.A O no hydrogen 3.064 N/A TRP 575.A NE1 GLY 437.A O no hydrogen 3.066 N/A GLU 576.A N LYS 572.A O no hydrogen 2.738 N/A LYS 577.A N GLU 573.A O no hydrogen 3.353 N/A GLU 578.A N PHE 574.A O no hydrogen 2.917 N/A VAL 579.A N TRP 575.A O no hydrogen 2.954 N/A GLU 580.A N GLU 576.A O no hydrogen 3.131 N/A GLU 581.A N LYS 577.A O no hydrogen 3.087 N/A ILE 582.A N GLU 578.A O no hydrogen 3.031 N/A ASP 583.A N VAL 579.A O no hydrogen 2.894 N/A LYS 584.A N GLU 580.A O no hydrogen 3.015 N/A TYR 585.A N GLU 581.A O no hydrogen 2.928 N/A LEU 586.A N ILE 582.A O no hydrogen 2.898 N/A GLU 587.A N ASP 583.A O no hydrogen 2.947 N/A ASP 588.A N LYS 584.A O no hydrogen 3.035 N/A GLN 589.A N TYR 585.A O no hydrogen 2.785 N/A GLN 589.A NE2 GLN 107.A O no hydrogen 3.006 N/A GLN 589.A NE2 ASP 588.A OD1 no hydrogen 2.972 N/A VAL 590.A N LEU 586.A O no hydrogen 2.867 N/A ASN 591.A N LEU 586.A O no hydrogen 3.149 N/A ASP 593.A N VAL 590.A O no hydrogen 3.076 N/A LEU 594.A N ASN 591.A O no hydrogen 3.213 N/A ILE 598.A N PRO 595.A O no hydrogen 2.905 N/A GLU 599.A N PRO 595.A O no hydrogen 3.280 N/A ARG 600.A N TYR 596.A O no hydrogen 2.839 N/A GLU 601.A N GLU 597.A O no hydrogen 3.110 N/A LEU 602.A N ILE 598.A O no hydrogen 2.956 N/A ARG 603.A N GLU 599.A O no hydrogen 2.902 N/A ARG 603.A NE GLU 599.A OE2.A no hydrogen 2.715 N/A ALA 604.A N ARG 600.A O no hydrogen 2.832 N/A LEU 605.A N GLU 601.A O no hydrogen 2.975 N/A LYS 606.A N LEU 602.A O no hydrogen 3.048 N/A LYS 606.A NZ.A ASP 583.A OD2 no hydrogen 2.814 N/A GLN 607.A N ARG 603.A O no hydrogen 2.975 N/A ARG 608.A N ALA 604.A O no hydrogen 3.010 N/A ARG 608.A NE PRO 544.A O no hydrogen 2.696 N/A ARG 608.A NH2 PRO 544.A O no hydrogen 3.388 N/A ILE 609.A N LEU 605.A O no hydrogen 2.997 N/A SER 610.A N LYS 606.A O no hydrogen 2.926 N/A SER 610.A OG GLN 607.A O no hydrogen 2.903 N/A GLN 611.A N ARG 608.A O no hydrogen 3.289 N/A GLN 611.A NE2 SER 610.A OG no hydrogen 3.397 N/A MET 612.A N ILE 609.A O no hydrogen 3.185 N/A