Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kfd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N ASN 6.A OD1 no hydrogen 3.164 N/A TYR 4.A OH GLU 170.A OE2 no hydrogen 2.779 N/A ASN 6.A N SER 3.A O no hydrogen 3.188 N/A TYR 7.A OH ASP 180.A OD2 no hydrogen 2.661 N/A VAL 8.A N ALA 57.A O no hydrogen 3.444 N/A THR 9.A OG1 GLU 169.A OE2 no hydrogen 2.963 N/A ILE 10.A N TYR 59.A O no hydrogen 2.800 N/A THR 15.A N ASP 12.A OD2 no hydrogen 2.992 N/A THR 15.A OG1 ASP 12.A OD1 no hydrogen 2.904 N/A THR 15.A OG1 ASP 12.A OD2 no hydrogen 2.916 N/A LEU 16.A N ASP 12.A O no hydrogen 3.112 N/A LYS 17.A N GLU 13.A O no hydrogen 2.749 N/A ALA 18.A N GLU 14.A O no hydrogen 3.103 N/A TRP 19.A N THR 15.A O no hydrogen 2.974 N/A ILE 20.A N LEU 16.A O no hydrogen 2.957 N/A ALA 21.A N LYS 17.A O no hydrogen 3.051 N/A LYS 22.A N ALA 18.A O no hydrogen 3.161 N/A LEU 23.A N TRP 19.A O no hydrogen 2.932 N/A GLU 24.A N ILE 20.A O no hydrogen 2.874 N/A LYS 25.A N LYS 22.A O no hydrogen 3.221 N/A ALA 26.A N LEU 23.A O no hydrogen 3.262 N/A PHE 29.A N LEU 92.A O no hydrogen 3.174 N/A ALA 30.A N ALA 51.A O no hydrogen 2.773 N/A PHE 31.A N VAL 94.A O no hydrogen 3.094 N/A ASP 32.A N SER 49.A O no hydrogen 2.827 N/A THR 33.A OG1 ASP 101.A OD1 no hydrogen 2.957 N/A GLU 34.A N GLY 47.A O no hydrogen 2.747 N/A THR 35.A OG1 SER 37.A O no hydrogen 2.918 N/A THR 35.A OG1 TYR 100.A OH no hydrogen 2.635 N/A ASP 36.A N ASN 44.A O no hydrogen 3.042 N/A SER 37.A N THR 35.A OG1 no hydrogen 3.401 N/A ASP 39.A N SER 37.A OG no hydrogen 3.104 N/A SER 42.A N ASP 39.A O no hydrogen 2.894 N/A SER 42.A OG ASP 39.A OD2 no hydrogen 2.765 N/A ASN 44.A N ASP 36.A OD1 no hydrogen 2.737 N/A ASN 44.A ND2 ASP 36.A OD1 no hydrogen 3.438 N/A ASN 44.A ND2 ASP 36.A OD2 no hydrogen 3.069 N/A LEU 45.A N TYR 108.A OH no hydrogen 3.176 N/A VAL 46.A N GLU 34.A O no hydrogen 2.798 N/A GLY 47.A N GLU 34.A O no hydrogen 3.285 N/A LEU 48.A N ILE 60.A O no hydrogen 3.141 N/A SER 49.A N ASP 32.A O no hydrogen 2.861 N/A SER 49.A OG ALA 175.A O no hydrogen 2.705 N/A PHE 50.A N ALA 58.A O no hydrogen 3.325 N/A ALA 51.A N ALA 30.A O no hydrogen 3.069 N/A ILE 52.A N VAL 56.A O no hydrogen 3.200 N/A GLY 55.A N ASP 180.A OD1 no hydrogen 2.779 N/A VAL 56.A N GLU 53.A O no hydrogen 2.890 N/A ALA 58.A N PHE 50.A O no hydrogen 3.113 N/A TYR 59.A N VAL 8.A O no hydrogen 3.034 N/A TYR 59.A OH HIS 64.A NE2 no hydrogen 2.803 N/A ILE 60.A N LEU 48.A O no hydrogen 2.916 N/A VAL 62.A N VAL 46.A O no hydrogen 2.883 N/A ALA 63.A N VAL 46.A O no hydrogen 2.984 N/A HIS 64.A N GLN 72.A OE1 no hydrogen 3.000 N/A HIS 64.A ND1 ILE 166.A O no hydrogen 2.933 N/A HIS 64.A NE2 TYR 59.A OH no hydrogen 2.803 N/A ASP 65.A N ASN 164.A O no hydrogen 3.062 N/A ALA 69.A N TYR 66.A O no hydrogen 2.917 N/A GLN 72.A NE2 HIS 64.A O no hydrogen 2.987 N/A GLN 72.A NE2 PRO 70.A O no hydrogen 2.851 N/A ARG 75.A NH1 LEU 45.A O no hydrogen 2.746 N/A ARG 77.A N SER 74.A OG no hydrogen 3.416 N/A ARG 77.A NE GLU 13.A OE1 no hydrogen 3.258 N/A ARG 77.A NH2 GLU 13.A OE1 no hydrogen 3.223 N/A ALA 78.A N SER 74.A O no hydrogen 2.953 N/A LEU 79.A N ARG 75.A O no hydrogen 3.035 N/A GLU 80.A N GLU 76.A O no hydrogen 2.979 N/A LEU 81.A N ARG 77.A O no hydrogen 3.058 N/A LEU 82.A N ALA 78.A O no hydrogen 2.917 N/A LYS 83.A N LEU 79.A O no hydrogen 2.715 N/A LYS 83.A NZ GLU 87.A OE1 no hydrogen 3.081 N/A LEU 86.A N LEU 82.A O no hydrogen 2.969 N/A GLU 87.A N LYS 83.A O no hydrogen 2.906 N/A ASP 88.A N LEU 85.A O no hydrogen 3.093 N/A LYS 90.A N ASP 88.A OD1 no hydrogen 2.975 N/A LYS 90.A NZ GLU 89.A OE2 no hydrogen 3.457 N/A ALA 91.A N ASP 88.A O no hydrogen 3.020 N/A LYS 93.A N GLY 114.A O no hydrogen 2.832 N/A LYS 93.A NZ LEU 85.A O no hydrogen 3.231 N/A LYS 93.A NZ LEU 86.A O no hydrogen 2.933 N/A LYS 93.A NZ ALA 91.A O no hydrogen 2.879 N/A VAL 94.A N PHE 29.A O no hydrogen 3.000 N/A GLY 95.A N PHE 117.A O no hydrogen 2.921 N/A GLN 96.A NE2 HIS 133.A O no hydrogen 3.077 N/A ASN 97.A N ASP 118.A OD1 no hydrogen 2.880 N/A LEU 98.A N ASP 118.A OD2 no hydrogen 2.952 N/A LYS 99.A NZ GLU 218.A OE2 no hydrogen 2.803 N/A TYR 100.A N ASN 97.A O no hydrogen 3.101 N/A TYR 100.A OH THR 35.A OG1 no hydrogen 2.635 N/A TYR 100.A OH SER 37.A O no hydrogen 2.678 N/A ARG 102.A N LEU 98.A O no hydrogen 2.916 N/A ARG 102.A NE GLU 111.A OE2 no hydrogen 3.382 N/A ARG 102.A NH1 SER 215.A OG no hydrogen 2.790 N/A ARG 102.A NH2 GLU 111.A OE2 no hydrogen 2.932 N/A GLY 103.A N LYS 99.A O no hydrogen 3.309 N/A ILE 104.A N TYR 100.A O no hydrogen 2.997 N/A LEU 105.A N ASP 101.A O no hydrogen 3.106 N/A ALA 106.A N ARG 102.A O no hydrogen 2.979 N/A ASN 107.A N GLY 103.A O no hydrogen 3.132 N/A ASN 107.A N ILE 104.A O no hydrogen 3.257 N/A ASN 107.A ND2 ASN 40.A O no hydrogen 2.857 N/A ASN 107.A ND2 ALA 43.A O no hydrogen 3.695 N/A TYR 108.A N LEU 105.A O no hydrogen 2.819 N/A GLY 109.A N ALA 106.A O no hydrogen 3.223 N/A ILE 110.A N LEU 105.A O no hydrogen 3.233 N/A GLU 111.A N GLU 87.A OE2 no hydrogen 3.234 N/A ARG 113.A N LEU 86.A O no hydrogen 3.084 N/A ARG 113.A NH1 GLU 87.A O no hydrogen 3.277 N/A ALA 116.A N GLY 114.A O no hydrogen 2.670 N/A PHE 117.A N LYS 93.A O no hydrogen 3.101 N/A THR 119.A N GLY 95.A O no hydrogen 2.892 N/A THR 119.A OG1 GLY 95.A O no hydrogen 3.474 N/A THR 119.A OG1 GLN 96.A OE1 no hydrogen 2.506 N/A MET 120.A N ASP 118.A OD1 no hydrogen 3.251 N/A LEU 121.A N ASP 118.A O no hydrogen 3.019 N/A GLU 122.A N ASP 118.A O no hydrogen 2.942 N/A SER 123.A N THR 119.A O no hydrogen 3.120 N/A TYR 124.A N MET 120.A O no hydrogen 3.065 N/A TYR 124.A OH THR 296.A O no hydrogen 2.529 N/A ILE 125.A N LEU 121.A O no hydrogen 2.913 N/A LEU 126.A N GLU 122.A O no hydrogen 3.078 N/A LEU 126.A N SER 123.A O no hydrogen 2.917 N/A ASN 127.A N SER 123.A O no hydrogen 3.248 N/A SER 128.A OG ALA 297.A O no hydrogen 3.056 N/A VAL 129.A N ASN 127.A OD1 no hydrogen 3.024 N/A ALA 130.A N ASN 127.A O no hydrogen 3.112 N/A ARG 132.A NH1 ALA 294.A O no hydrogen 3.496 N/A ARG 132.A NH2 ALA 294.A O no hydrogen 3.390 N/A SER 137.A N ASP 134.A O no hydrogen 2.867 N/A SER 137.A N ASP 134.A OD2 no hydrogen 3.229 N/A SER 137.A OG ASP 134.A OD1 no hydrogen 2.722 N/A SER 137.A OG ASP 134.A OD2 no hydrogen 3.170 N/A LEU 138.A N ASP 134.A O no hydrogen 3.084 N/A ALA 139.A N MET 135.A O no hydrogen 2.947 N/A GLU 140.A N SER 137.A O no hydrogen 3.089 N/A ARG 141.A N SER 137.A O no hydrogen 2.967 N/A ARG 141.A NH1 ARG 132.A O no hydrogen 2.984 N/A ARG 141.A NH2 ARG 132.A O no hydrogen 2.898 N/A TRP 142.A N LEU 138.A O no hydrogen 2.694 N/A LEU 143.A N ALA 139.A O no hydrogen 2.986 N/A LYS 144.A N GLU 140.A O no hydrogen 2.985 N/A LYS 144.A NZ GLU 140.A O no hydrogen 3.007 N/A HIS 145.A N ALA 139.A O no hydrogen 2.850 N/A LYS 146.A NZ GLU 140.A OE1 no hydrogen 3.406 N/A THR 147.A OG1 ASP 136.A OD1 no hydrogen 2.703 N/A ILE 148.A N GLU 177.A OE1 no hydrogen 3.057 N/A THR 149.A OG1 GLU 151.A OE2 no hydrogen 3.390 N/A GLU 152.A N THR 149.A O no hydrogen 2.919 N/A ILE 153.A N PHE 150.A O no hydrogen 3.286 N/A ALA 154.A N PHE 150.A O no hydrogen 3.004 N/A GLY 155.A N GLU 151.A O no hydrogen 2.960 N/A GLN 160.A NE2 GLY 155.A O no hydrogen 2.780 N/A LEU 161.A N ALA 154.A O no hydrogen 2.983 N/A ASN 164.A ND2 ASP 65.A OD1 no hydrogen 2.913 N/A GLN 165.A N THR 162.A O no hydrogen 2.796 N/A ILE 166.A N PHE 163.A O no hydrogen 3.021 N/A LEU 168.A N TYR 66.A OH no hydrogen 3.236 N/A ALA 171.A N ALA 167.A O no hydrogen 2.882 N/A GLY 172.A N LEU 168.A O no hydrogen 2.883 N/A ARG 173.A N GLU 169.A O no hydrogen 3.214 N/A ARG 173.A NE ILE 2.A O no hydrogen 2.940 N/A ARG 173.A NH2 ILE 2.A O no hydrogen 2.928 N/A TYR 174.A N GLU 170.A O no hydrogen 3.456 N/A ALA 175.A N ALA 171.A O no hydrogen 2.961 N/A ALA 176.A N GLY 172.A O no hydrogen 2.855 N/A GLU 177.A N ARG 173.A O no hydrogen 3.080 N/A ASP 178.A N TYR 174.A O no hydrogen 2.948 N/A ALA 179.A N ALA 175.A O no hydrogen 3.155 N/A ASP 180.A N ALA 176.A O no hydrogen 2.899 N/A VAL 181.A N GLU 177.A O no hydrogen 2.823 N/A THR 182.A N ASP 178.A O no hydrogen 3.211 N/A THR 182.A OG1 ASP 178.A O no hydrogen 2.755 N/A LEU 183.A N ALA 179.A O no hydrogen 3.258 N/A GLN 184.A N ASP 180.A O no hydrogen 2.996 N/A GLN 184.A NE2 ASP 180.A OD1 no hydrogen 2.840 N/A LEU 185.A N VAL 181.A O no hydrogen 2.933 N/A HIS 186.A N THR 182.A O no hydrogen 2.931 N/A HIS 186.A ND1 GLU 122.A OE2 no hydrogen 2.965 N/A LEU 187.A N LEU 183.A O no hydrogen 3.012 N/A LYS 188.A N GLN 184.A O no hydrogen 2.982 N/A MET 189.A N HIS 186.A O no hydrogen 3.070 N/A TRP 190.A N HIS 186.A O no hydrogen 2.897 N/A LEU 193.A N MET 189.A O no hydrogen 2.995 N/A GLN 194.A N TRP 190.A O no hydrogen 3.204 N/A LYS 195.A N ASP 192.A O no hydrogen 3.035 N/A HIS 196.A ND1 HIS 196.A O no hydrogen 3.139 N/A LEU 200.A N HIS 196.A O no hydrogen 2.949 N/A ASN 201.A N LYS 197.A O no hydrogen 3.090 N/A ASN 201.A N GLY 198.A O no hydrogen 2.947 N/A ASN 201.A ND2 ASP 451.A O no hydrogen 2.998 N/A VAL 202.A N GLY 198.A O no hydrogen 3.314 N/A PHE 203.A N PRO 199.A O no hydrogen 3.046 N/A GLU 204.A N LEU 200.A O no hydrogen 2.974 N/A ASN 205.A N ASN 201.A O no hydrogen 2.776 N/A ILE 206.A N VAL 202.A O no hydrogen 2.956 N/A GLU 207.A N VAL 202.A O no hydrogen 2.764 N/A MET 208.A N PHE 203.A O no hydrogen 2.906 N/A VAL 211.A N MET 208.A O no hydrogen 3.073 N/A VAL 213.A N LEU 210.A O no hydrogen 2.961 N/A LEU 214.A N LEU 210.A O no hydrogen 2.933 N/A SER 215.A N VAL 211.A O no hydrogen 3.366 N/A ARG 216.A N PRO 212.A O no hydrogen 3.103 N/A ARG 216.A NE ASP 496.A OD1 no hydrogen 3.167 N/A ARG 216.A NH2 ASP 496.A OD1 no hydrogen 3.110 N/A ARG 216.A NH2 ASP 496.A OD2 no hydrogen 2.860 N/A ILE 217.A N VAL 213.A O no hydrogen 2.782 N/A GLU 218.A N LEU 214.A O no hydrogen 2.837 N/A ARG 219.A N SER 215.A O no hydrogen 2.994 N/A ARG 219.A NH1 ASN 107.A OD1 no hydrogen 2.769 N/A ARG 219.A NH2 ASN 107.A OD1 no hydrogen 2.789 N/A ASN 220.A N ARG 216.A O no hydrogen 3.147 N/A ASN 220.A N ILE 217.A O no hydrogen 3.255 N/A GLY 221.A N ILE 217.A O no hydrogen 3.431 N/A VAL 222.A N VAL 287.A O no hydrogen 2.691 N/A ASP 225.A N ALA 324.A O no hydrogen 2.865 N/A LYS 227.A N ASP 225.A OD1 no hydrogen 3.126 N/A HIS 230.A N PRO 226.A O no hydrogen 2.766 N/A ASN 231.A N LYS 227.A O no hydrogen 2.801 N/A HIS 232.A N VAL 228.A O no hydrogen 2.871 N/A SER 233.A N LEU 229.A O no hydrogen 2.970 N/A SER 233.A OG ASP 274.A OD1 no hydrogen 2.755 N/A GLU 234.A N HIS 230.A O no hydrogen 3.002 N/A GLU 235.A N ASN 231.A O no hydrogen 2.946 N/A LEU 236.A N HIS 232.A O no hydrogen 3.013 N/A THR 237.A N SER 233.A O no hydrogen 3.086 N/A THR 237.A OG1 SER 233.A O no hydrogen 3.075 N/A LEU 238.A N GLU 234.A O no hydrogen 3.236 N/A ARG 239.A N GLU 235.A O no hydrogen 2.868 N/A ARG 239.A NE GLU 235.A OE2 no hydrogen 3.220 N/A ARG 239.A NH1 GLU 261.A OE1 no hydrogen 3.370 N/A LEU 240.A N LEU 236.A O no hydrogen 2.915 N/A ALA 241.A N THR 237.A O no hydrogen 3.193 N/A GLU 242.A N LEU 238.A O no hydrogen 2.903 N/A LEU 243.A N ARG 239.A O no hydrogen 2.961 N/A GLU 244.A N LEU 240.A O no hydrogen 3.140 N/A LYS 245.A N ALA 241.A O no hydrogen 2.968 N/A LYS 246.A N GLU 242.A O no hydrogen 2.795 N/A ALA 247.A N LEU 243.A O no hydrogen 3.209 N/A HIS 248.A N GLU 244.A O no hydrogen 3.087 N/A GLU 249.A N LYS 245.A O no hydrogen 3.013 N/A ILE 250.A N LYS 246.A O no hydrogen 3.199 N/A VAL 258.A N PRO 254.A O no hydrogen 3.273 N/A ILE 259.A N LEU 255.A O no hydrogen 3.336 N/A GLU 261.A N LYS 257.A O no hydrogen 3.074 N/A TYR 262.A N VAL 258.A O no hydrogen 2.940 N/A ARG 263.A N ILE 259.A O no hydrogen 2.971 N/A GLY 264.A N LEU 260.A O no hydrogen 2.999 N/A LEU 265.A N GLU 261.A O no hydrogen 3.089 N/A ALA 266.A N TYR 262.A O no hydrogen 2.872 N/A LYS 267.A N ARG 263.A O no hydrogen 3.135 N/A LYS 267.A NZ GLY 264.A O no hydrogen 3.450 N/A LEU 268.A N GLY 264.A O no hydrogen 3.185 N/A LYS 269.A N LEU 265.A O no hydrogen 2.929 N/A LYS 269.A NZ ASP 274.A OD2 no hydrogen 3.359 N/A SER 270.A OG LYS 267.A O no hydrogen 3.101 N/A THR 271.A N LYS 267.A O no hydrogen 2.828 N/A TYR 272.A N LEU 268.A O no hydrogen 2.901 N/A TYR 272.A OH ASN 307.A O no hydrogen 2.843 N/A THR 273.A N LEU 268.A O no hydrogen 3.403 N/A ASP 274.A N LYS 269.A O no hydrogen 2.869 N/A LYS 275.A NZ SER 270.A O no hydrogen 2.642 N/A LEU 276.A N TYR 272.A O no hydrogen 3.015 N/A LEU 278.A N LYS 275.A O no hydrogen 2.801 N/A MET 279.A N LEU 276.A O no hydrogen 3.006 N/A ASN 281.A N ARG 286.A O no hydrogen 2.779 N/A ASN 281.A ND2 ASP 39.A OD2 no hydrogen 3.094 N/A LYS 283.A N ASN 281.A OD1 no hydrogen 3.252 N/A LYS 283.A NZ ILE 41.A O no hydrogen 2.952 N/A THR 284.A OG1 HIS 288.A NE2 no hydrogen 2.759 N/A GLY 285.A N ASN 281.A O no hydrogen 2.728 N/A ARG 286.A N THR 284.A OG1 no hydrogen 3.281 N/A ARG 286.A NH1 ASN 220.A O no hydrogen 3.211 N/A ARG 286.A NH1 GLY 221.A O no hydrogen 2.721 N/A ARG 286.A NH1 GLU 519.A OE2 no hydrogen 2.942 N/A ARG 286.A NH2 GLU 519.A OE1 no hydrogen 3.071 N/A ARG 286.A NH2 GLU 519.A OE2 no hydrogen 2.745 N/A VAL 287.A N VAL 222.A O no hydrogen 2.862 N/A HIS 288.A ND1 GLU 218.A O no hydrogen 2.806 N/A HIS 288.A NE2 THR 284.A OG1 no hydrogen 2.759 N/A THR 289.A OG1 THR 304.A O no hydrogen 3.038 N/A THR 289.A OG1 PRO 306.A O no hydrogen 3.011 N/A SER 290.A N THR 304.A O no hydrogen 3.427 N/A TYR 291.A N GLU 218.A OE2 no hydrogen 2.969 N/A TYR 291.A OH GLN 511.A O no hydrogen 3.275 N/A HIS 292.A N SER 302.A O no hydrogen 2.709 N/A HIS 292.A NE2 THR 304.A OG1 no hydrogen 2.740 N/A GLN 293.A NE2 GLU 207.A O no hydrogen 3.136 N/A GLN 293.A NE2 GLU 207.A OE2 no hydrogen 3.396 N/A THR 296.A OG1 TYR 124.A OH no hydrogen 3.336 N/A THR 296.A OG1 ARG 300.A O no hydrogen 2.678 N/A GLY 299.A N THR 296.A OG1 no hydrogen 3.104 N/A ARG 300.A NH1 GLU 342.A OE2 no hydrogen 2.735 N/A ARG 300.A NH2 ASP 514.A OD1 no hydrogen 2.736 N/A SER 302.A N HIS 292.A O no hydrogen 3.238 N/A THR 304.A N SER 290.A O no hydrogen 2.854 N/A THR 304.A OG1 HIS 292.A NE2 no hydrogen 2.740 N/A THR 304.A OG1 ASP 305.A OD2 no hydrogen 3.453 N/A LEU 308.A N PRO 306.A O no hydrogen 2.769 N/A ASN 310.A N ASN 307.A O no hydrogen 2.997 N/A ILE 311.A N LEU 308.A O no hydrogen 3.442 N/A GLU 317.A N ASN 315.A OD1 no hydrogen 3.188 N/A ARG 319.A N ASN 315.A O no hydrogen 3.129 N/A ARG 320.A N GLU 316.A O no hydrogen 3.109 N/A ARG 320.A NH2 GLU 235.A OE1 no hydrogen 3.297 N/A ARG 320.A NH2 GLU 235.A OE2 no hydrogen 2.949 N/A ILE 321.A N GLU 317.A O no hydrogen 3.273 N/A ARG 322.A N GLY 318.A O no hydrogen 2.968 N/A ARG 322.A NH2 PRO 312.A O no hydrogen 2.648 N/A GLN 323.A N ARG 320.A O no hydrogen 3.259 N/A GLN 323.A NE2 ARG 319.A O no hydrogen 3.402 N/A ALA 324.A N ILE 321.A O no hydrogen 2.958 N/A ILE 326.A N LYS 223.A O no hydrogen 2.903 N/A ALA 327.A N GLU 554.A O no hydrogen 3.281 N/A TYR 331.A N PRO 328.A O no hydrogen 2.962 N/A VAL 332.A N VAL 520.A O no hydrogen 2.775 N/A ILE 333.A N GLY 553.A O no hydrogen 2.759 N/A VAL 334.A N PHE 518.A O no hydrogen 2.858 N/A SER 335.A N GLY 551.A O no hydrogen 2.612 N/A SER 335.A OG GLU 515.A OE2 no hydrogen 2.576 N/A ALA 336.A N LEU 516.A O no hydrogen 2.980 N/A ASP 337.A N GLU 549.A O no hydrogen 3.022 N/A TYR 338.A N ASP 514.A O no hydrogen 2.961 N/A TYR 338.A OH MET 536.A O no hydrogen 2.821 N/A SER 339.A N LEU 547.A O no hydrogen 2.966 N/A ILE 341.A N SER 339.A O no hydrogen 2.697 N/A LEU 343.A N GLN 340.A O no hydrogen 2.827 N/A ARG 344.A N GLN 340.A O no hydrogen 2.998 N/A ARG 344.A NH1 PRO 545.A O no hydrogen 2.800 N/A ILE 345.A N ILE 341.A O no hydrogen 2.958 N/A MET 346.A N GLU 342.A O no hydrogen 2.959 N/A ALA 347.A N LEU 343.A O no hydrogen 3.025 N/A HIS 348.A N ARG 344.A O no hydrogen 3.211 N/A LEU 349.A N ILE 345.A O no hydrogen 2.823 N/A SER 350.A N MET 346.A O no hydrogen 2.841 N/A SER 350.A OG MET 346.A O no hydrogen 2.934 N/A SER 350.A OG ALA 347.A O no hydrogen 3.091 N/A ARG 351.A N HIS 348.A O no hydrogen 3.087 N/A ASP 352.A N SER 350.A OG no hydrogen 3.281 N/A GLY 354.A N ASP 352.A OD1 no hydrogen 2.910 N/A LEU 355.A N ASP 352.A OD1 no hydrogen 3.354 N/A LEU 356.A N ASP 352.A O no hydrogen 2.973 N/A THR 357.A N LYS 353.A O no hydrogen 2.906 N/A THR 357.A OG1 LYS 353.A O no hydrogen 2.525 N/A ALA 358.A N GLY 354.A O no hydrogen 3.141 N/A PHE 359.A N LEU 355.A O no hydrogen 3.231 N/A ALA 360.A N LEU 356.A O no hydrogen 3.054 N/A GLU 361.A N THR 357.A O no hydrogen 2.813 N/A GLY 362.A N PHE 359.A O no hydrogen 3.231 N/A LYS 363.A N ALA 358.A O no hydrogen 2.957 N/A LYS 363.A NZ GLU 361.A OE2 no hydrogen 3.147 N/A ARG 367.A N ASP 364.A O no hydrogen 3.122 N/A ARG 367.A N ASP 364.A OD2 no hydrogen 3.161 N/A ARG 367.A NE LEU 378.A O no hydrogen 3.571 N/A ALA 368.A N ASP 364.A O no hydrogen 3.048 N/A THR 369.A N ILE 365.A O no hydrogen 2.824 N/A THR 369.A OG1 ILE 365.A O no hydrogen 2.868 N/A ALA 370.A N HIS 366.A O no hydrogen 2.982 N/A ALA 371.A N ARG 367.A O no hydrogen 2.676 N/A GLU 372.A N ALA 368.A O no hydrogen 2.888 N/A VAL 373.A N THR 369.A O no hydrogen 2.858 N/A PHE 374.A N ALA 370.A O no hydrogen 2.991 N/A LEU 376.A N ALA 371.A O no hydrogen 2.995 N/A GLU 379.A N GLU 379.A OE2 no hydrogen 2.912 N/A THR 380.A N PRO 377.A O no hydrogen 3.209 N/A THR 380.A OG1 PRO 377.A O no hydrogen 3.517 N/A THR 382.A N GLN 385.A OE1 no hydrogen 3.082 N/A THR 382.A OG1 GLN 385.A OE1 no hydrogen 3.263 N/A GLN 385.A N THR 382.A O no hydrogen 2.852 N/A ARG 386.A N THR 382.A O no hydrogen 3.059 N/A ARG 387.A N SER 383.A O no hydrogen 3.197 N/A SER 388.A N GLU 384.A O no hydrogen 3.025 N/A SER 388.A OG GLU 384.A O no hydrogen 3.305 N/A ALA 389.A N GLN 385.A O no hydrogen 2.925 N/A LYS 390.A N ARG 386.A O no hydrogen 3.076 N/A ALA 391.A N ARG 387.A O no hydrogen 3.121 N/A ILE 392.A N SER 388.A O no hydrogen 3.147 N/A ILE 392.A N ALA 389.A O no hydrogen 2.999 N/A ASN 393.A N ALA 389.A O no hydrogen 2.943 N/A PHE 394.A N LYS 390.A O no hydrogen 2.952 N/A GLY 395.A N ILE 392.A O no hydrogen 2.918 N/A LEU 396.A N ILE 392.A O no hydrogen 2.941 N/A ILE 397.A N ASN 393.A O no hydrogen 3.335 N/A GLY 399.A N LEU 396.A O no hydrogen 3.037 N/A MET 400.A N GLY 395.A O no hydrogen 2.978 N/A SER 401.A OG SER 401.A O no hydrogen 2.838 N/A GLY 404.A N SER 401.A O no hydrogen 2.726 N/A LEU 405.A N ALA 402.A O no hydrogen 3.172 N/A ARG 407.A N PHE 403.A O no hydrogen 2.981 N/A ARG 407.A N GLY 404.A O no hydrogen 3.132 N/A GLN 408.A N GLY 404.A O no hydrogen 2.909 N/A GLN 408.A NE2 GLY 404.A O no hydrogen 2.897 N/A LEU 409.A N LEU 405.A O no hydrogen 2.755 N/A ILE 411.A N LEU 409.A O no hydrogen 2.653 N/A ALA 416.A N ARG 413.A O no hydrogen 2.889 N/A GLN 417.A NE2 GLN 417.A O no hydrogen 3.387 N/A LYS 418.A N LYS 414.A O no hydrogen 2.979 N/A LYS 418.A NZ GLU 415.A OE2 no hydrogen 3.178 N/A TYR 419.A N GLU 415.A O no hydrogen 2.963 N/A MET 420.A N ALA 416.A O no hydrogen 2.862 N/A ASP 421.A N GLN 417.A O no hydrogen 3.012 N/A LEU 422.A N LYS 418.A O no hydrogen 3.050 N/A TYR 423.A N TYR 419.A O no hydrogen 2.953 N/A TYR 423.A OH ASN 393.A OD1 no hydrogen 3.094 N/A PHE 424.A N MET 420.A O no hydrogen 3.095 N/A GLU 425.A N ASP 421.A O no hydrogen 2.930 N/A GLU 425.A N LEU 422.A O no hydrogen 3.262 N/A ARG 426.A N LEU 422.A O no hydrogen 3.184 N/A ARG 426.A N TYR 423.A O no hydrogen 2.909 N/A TYR 427.A N TYR 423.A O no hydrogen 2.598 N/A GLY 429.A N ASP 352.A OD2 no hydrogen 3.278 N/A VAL 430.A N TYR 427.A O no hydrogen 3.375 N/A LEU 431.A N PRO 428.A O no hydrogen 2.846 N/A GLU 432.A N PRO 428.A O no hydrogen 3.083 N/A TYR 433.A N GLY 429.A O no hydrogen 3.132 N/A TYR 433.A OH ILE 476.A O no hydrogen 3.020 N/A MET 434.A N VAL 430.A O no hydrogen 3.132 N/A GLU 435.A N LEU 431.A O no hydrogen 2.816 N/A ARG 436.A N GLU 432.A O no hydrogen 2.981 N/A ARG 436.A NH2 LEU 349.A O no hydrogen 2.789 N/A THR 437.A N TYR 433.A O no hydrogen 2.870 N/A THR 437.A OG1 TYR 433.A O no hydrogen 2.994 N/A ARG 438.A N MET 434.A O no hydrogen 3.235 N/A ALA 439.A N GLU 435.A O no hydrogen 2.959 N/A GLN 440.A N ARG 436.A O no hydrogen 2.998 N/A ALA 441.A N THR 437.A O no hydrogen 2.900 N/A LYS 442.A N ARG 438.A O no hydrogen 3.001 N/A LYS 442.A NZ GLU 472.A OE1 no hydrogen 2.891 N/A GLU 443.A N ALA 439.A O no hydrogen 2.874 N/A GLN 444.A N GLN 440.A O no hydrogen 2.841 N/A GLN 444.A NE2 GLN 440.A OE1 no hydrogen 2.809 N/A GLN 444.A NE2 TYR 446.A O no hydrogen 2.909 N/A GLY 445.A N ALA 441.A O no hydrogen 2.992 N/A VAL 447.A N LEU 455.A O no hydrogen 2.875 N/A THR 449.A N ARG 453.A O no hydrogen 2.813 N/A THR 449.A OG1 ASP 486.A OD2 no hydrogen 2.773 N/A LEU 450.A N THR 483.A OG1 no hydrogen 3.247 N/A GLY 452.A N THR 449.A O no hydrogen 3.089 N/A ARG 453.A NH1 GLU 207.A OE1 no hydrogen 3.497 N/A ARG 453.A NH1 ASP 486.A OD1 no hydrogen 2.688 N/A ARG 453.A NH2 GLU 207.A OE1 no hydrogen 2.781 N/A ARG 454.A NH1 TYR 456.A OH no hydrogen 3.172 N/A LEU 455.A N VAL 447.A O no hydrogen 2.989 N/A LEU 457.A N GLY 445.A O no hydrogen 2.905 N/A ILE 460.A N LEU 457.A O no hydrogen 3.195 N/A LYS 461.A NZ PRO 458.A O no hydrogen 2.819 N/A SER 462.A N ASP 459.A O no hydrogen 2.898 N/A ARG 468.A N GLY 465.A O no hydrogen 2.956 N/A ARG 468.A NH1 ILE 460.A O no hydrogen 2.993 N/A ARG 468.A NH2 ILE 460.A O no hydrogen 3.425 N/A ALA 469.A N ALA 466.A O no hydrogen 3.201 N/A ALA 470.A N ARG 467.A O no hydrogen 2.861 N/A ALA 471.A N ARG 468.A O no hydrogen 3.001 N/A GLU 472.A N ALA 469.A O no hydrogen 2.860 N/A ARG 473.A N ALA 469.A O no hydrogen 3.127 N/A ALA 474.A N ALA 470.A O no hydrogen 2.889 N/A ALA 475.A N ALA 471.A O no hydrogen 2.713 N/A ILE 476.A N GLU 472.A O no hydrogen 3.025 N/A ASN 477.A N ARG 473.A O no hydrogen 2.833 N/A ASN 477.A ND2 ILE 397.A O no hydrogen 2.787 N/A ALA 478.A N ALA 474.A O no hydrogen 2.953 N/A MET 480.A N ASN 477.A O no hydrogen 3.046 N/A GLN 481.A N ASN 477.A O no hydrogen 2.956 N/A GLY 482.A N ALA 478.A O no hydrogen 2.844 N/A THR 483.A N PRO 479.A O no hydrogen 3.184 N/A THR 483.A OG1 PRO 479.A O no hydrogen 2.569 N/A ALA 484.A N MET 480.A O no hydrogen 3.184 N/A ALA 485.A N GLN 481.A O no hydrogen 3.089 N/A ASP 486.A N GLY 482.A O no hydrogen 2.955 N/A ILE 487.A N THR 483.A O no hydrogen 2.982 N/A ILE 488.A N ALA 484.A O no hydrogen 2.959 N/A LYS 489.A N ALA 485.A O no hydrogen 2.959 N/A LYS 489.A NZ GLU 207.A OE2 no hydrogen 2.897 N/A LYS 489.A NZ GLY 299.A O no hydrogen 3.110 N/A ARG 490.A N ASP 486.A O no hydrogen 2.864 N/A ALA 491.A N ILE 487.A O no hydrogen 2.910 N/A MET 492.A N ILE 488.A O no hydrogen 2.818 N/A ILE 493.A N LYS 489.A O no hydrogen 3.033 N/A ALA 494.A N ARG 490.A O no hydrogen 2.921 N/A VAL 495.A N ALA 491.A O no hydrogen 2.885 N/A ASP 496.A N MET 492.A O no hydrogen 2.940 N/A ALA 497.A N ILE 493.A O no hydrogen 3.105 N/A TRP 498.A N ALA 494.A O no hydrogen 3.404 N/A LEU 499.A N VAL 495.A O no hydrogen 3.014 N/A GLN 500.A N ASP 496.A O no hydrogen 2.858 N/A ALA 501.A N ALA 497.A O no hydrogen 2.855 N/A GLU 502.A N TRP 498.A O no hydrogen 2.788 N/A GLN 503.A N LEU 499.A O no hydrogen 2.985 N/A GLN 503.A NE2 GLN 500.A O no hydrogen 2.878 N/A ARG 505.A NE ASP 524.A OD2 no hydrogen 3.050 N/A ARG 505.A NH2 ASP 524.A OD1 no hydrogen 2.905 N/A ARG 505.A NH2 ASP 524.A OD2 no hydrogen 3.457 N/A VAL 506.A N PRO 504.A O no hydrogen 2.843 N/A ARG 507.A N GLU 519.A O no hydrogen 2.977 N/A ARG 507.A NE GLU 519.A OE1 no hydrogen 3.043 N/A ARG 507.A NH2 GLU 519.A OE1 no hydrogen 3.528 N/A ILE 509.A N VAL 517.A O no hydrogen 2.975 N/A MET 510.A N VAL 517.A O no hydrogen 3.370 N/A GLN 511.A N TYR 291.A OH no hydrogen 2.939 N/A VAL 512.A N GLU 515.A O no hydrogen 3.045 N/A HIS 513.A N GLN 309.A OE1 no hydrogen 3.374 N/A GLU 515.A N VAL 512.A O no hydrogen 2.908 N/A LEU 516.A N ALA 336.A O no hydrogen 2.879 N/A VAL 517.A N MET 510.A O no hydrogen 2.979 N/A PHE 518.A N VAL 334.A O no hydrogen 2.937 N/A GLU 519.A N ARG 507.A O no hydrogen 3.008 N/A VAL 520.A N VAL 332.A O no hydrogen 2.940 N/A HIS 521.A N ARG 505.A O no hydrogen 3.096 N/A LYS 522.A N ASP 330.A O no hydrogen 2.758 N/A LYS 522.A NZ ASP 523.A OD1 no hydrogen 3.395 N/A ASP 523.A N HIS 521.A ND1 no hydrogen 3.181 N/A ASP 524.A N HIS 521.A O no hydrogen 2.764 N/A VAL 528.A N ASP 524.A O no hydrogen 3.062 N/A ALA 529.A N VAL 525.A O no hydrogen 2.817 N/A LYS 530.A N ASP 526.A O no hydrogen 3.401 N/A GLN 531.A N ALA 527.A O no hydrogen 2.983 N/A ILE 532.A N VAL 528.A O no hydrogen 2.949 N/A HIS 533.A N ALA 529.A O no hydrogen 3.030 N/A HIS 533.A ND1 VAL 548.A O no hydrogen 3.088 N/A GLN 534.A N LYS 530.A O no hydrogen 3.110 N/A LEU 535.A N GLN 531.A O no hydrogen 2.918 N/A MET 536.A N ILE 532.A O no hydrogen 2.951 N/A GLU 537.A N HIS 533.A O no hydrogen 3.024 N/A ASN 538.A N GLN 534.A O no hydrogen 2.991 N/A ASN 538.A ND2 GLN 534.A O no hydrogen 2.871 N/A CYS 539.A N LEU 535.A O no hydrogen 3.123 N/A ARG 541.A NH1 ASP 486.A OD2 no hydrogen 3.145 N/A ARG 541.A NH2 ASP 486.A OD2 no hydrogen 2.823 N/A VAL 548.A N GLU 537.A OE2 no hydrogen 3.410 N/A GLU 549.A N ASP 337.A O no hydrogen 2.845 N/A GLY 551.A N SER 335.A O no hydrogen 2.528 N/A GLY 553.A N ILE 333.A O no hydrogen 2.825 N/A GLU 554.A N GLN 558.A OE1 no hydrogen 2.925 N/A TRP 556.A N PHE 325.A O no hydrogen 2.898 N/A TRP 556.A NE1 GLU 515.A OE2 no hydrogen 3.047 N/A ASP 557.A N ARG 322.A O no hydrogen 3.134 N/A GLN 558.A N ASN 555.A O no hydrogen 3.141 N/A GLN 558.A N ASN 555.A OD1 no hydrogen 3.088 N/A GLN 558.A NE2 GLU 554.A OE2 no hydrogen 3.396 N/A ALA 559.A N ASN 555.A O no hydrogen 3.213 N/A HIS 560.A N TRP 556.A O no hydrogen 2.881 N/A