Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2vk1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N VAL 175.A O no hydrogen 2.912 N/A LEU 5.A N LEU 173.A O no hydrogen 2.907 N/A GLY 6.A N VAL 171.A O no hydrogen 3.032 N/A LYS 7.A N THR 4.A OG1 no hydrogen 3.252 N/A TYR 8.A N THR 4.A O no hydrogen 2.905 N/A TYR 8.A OH PRO 145.A O no hydrogen 3.373 N/A TYR 8.A OH ASP 149.A OD1 no hydrogen 2.816 N/A LEU 9.A N LEU 5.A O no hydrogen 3.034 N/A PHE 10.A N GLY 6.A O no hydrogen 3.417 N/A GLU 11.A N LYS 7.A O no hydrogen 2.911 N/A ARG 12.A N TYR 8.A O no hydrogen 2.966 N/A ARG 12.A NE TYR 8.A OH no hydrogen 3.304 N/A ARG 12.A NE ASP 149.A OD1 no hydrogen 2.933 N/A ARG 12.A NH1 GLN 15.A OE1 no hydrogen 2.758 N/A ARG 12.A NH1 THR 182.A O no hydrogen 2.859 N/A ARG 12.A NH2 ASP 149.A OD2 no hydrogen 2.953 N/A ARG 12.A NH2 THR 182.A O no hydrogen 3.029 N/A LEU 13.A N LEU 9.A O no hydrogen 2.945 N/A LYS 14.A N PHE 10.A O no hydrogen 2.915 N/A LYS 14.A NZ GLU 40.A O no hydrogen 2.836 N/A GLN 15.A N GLU 11.A O no hydrogen 3.005 N/A GLN 15.A NE2 LEU 180.A O no hydrogen 2.872 N/A VAL 16.A N ARG 12.A O no hydrogen 3.096 N/A VAL 16.A N LEU 13.A O no hydrogen 3.184 N/A ASN 17.A N LYS 14.A O no hydrogen 3.122 N/A VAL 18.A N LEU 13.A O no hydrogen 2.891 N/A ASN 19.A N TYR 60.A OH no hydrogen 2.883 N/A ASN 19.A ND2 GLY 41.A O no hydrogen 3.203 N/A THR 20.A OG1 GLU 430.A OE2 no hydrogen 2.598 N/A VAL 21.A N ARG 43.A O no hydrogen 2.776 N/A PHE 22.A N CYS 68.A O no hydrogen 3.026 N/A GLY 23.A N ASN 47.A OD1 no hydrogen 2.857 N/A GLY 26.A N ASN 29.A OD1 no hydrogen 3.056 N/A ASN 29.A N GLY 26.A O no hydrogen 2.846 N/A ASN 29.A ND2 LEU 24.A O no hydrogen 3.278 N/A SER 31.A OG ASP 172.A OD2 no hydrogen 2.453 N/A LEU 33.A N ASN 29.A O no hydrogen 3.043 N/A ASP 34.A N LEU 30.A O no hydrogen 3.163 N/A LYS 35.A N LEU 32.A O no hydrogen 2.975 N/A LYS 35.A NZ SER 31.A O no hydrogen 2.783 N/A LYS 35.A NZ ASP 172.A OD1 no hydrogen 2.733 N/A ILE 36.A N LEU 33.A O no hydrogen 3.079 N/A TYR 37.A N ASP 34.A O no hydrogen 3.218 N/A GLU 38.A N LYS 35.A O no hydrogen 3.064 N/A VAL 39.A N ILE 36.A O no hydrogen 3.271 N/A MET 42.A N VAL 39.A O no hydrogen 3.306 N/A ARG 43.A N ASN 19.A O no hydrogen 2.877 N/A ARG 43.A NE THR 20.A OG1 no hydrogen 2.830 N/A ARG 43.A NH1 GLU 429.A OE1 no hydrogen 2.846 N/A ARG 43.A NH2 GLU 429.A OE1 no hydrogen 2.791 N/A ARG 43.A NH2 GLU 430.A OE2 no hydrogen 2.969 N/A ALA 45.A N VAL 21.A O no hydrogen 2.877 N/A ASN 47.A N GLY 23.A O no hydrogen 3.383 N/A ASN 47.A ND2 GLU 452.A OE2 no hydrogen 2.862 N/A ALA 48.A N GLU 452.A OE1 no hydrogen 3.194 N/A ALA 48.A N GLU 452.A OE2 no hydrogen 2.972 N/A GLU 50.A N GLU 50.A OE1 no hydrogen 2.772 N/A ASN 52.A N ASN 49.A OD1 no hydrogen 2.848 N/A ASN 52.A ND2 GLN 451.A OE1 no hydrogen 3.321 N/A ASN 52.A ND2 GLU 452.A OE1 no hydrogen 2.881 N/A ALA 53.A N ASN 49.A O no hydrogen 2.971 N/A ALA 54.A N GLU 50.A O no hydrogen 2.964 N/A TYR 55.A N LEU 51.A O no hydrogen 2.997 N/A TYR 55.A OH SER 413.A OG no hydrogen 2.800 N/A ALA 56.A N ASN 52.A O no hydrogen 2.823 N/A ALA 57.A N ALA 53.A O no hydrogen 2.800 N/A ASP 58.A N ALA 54.A O no hydrogen 3.003 N/A GLY 59.A N TYR 55.A O no hydrogen 2.953 N/A TYR 60.A N ALA 56.A O no hydrogen 2.849 N/A TYR 60.A OH GLU 430.A OE1 no hydrogen 2.577 N/A ALA 61.A N ALA 57.A O no hydrogen 2.825 N/A ARG 62.A N ASP 58.A O no hydrogen 2.970 N/A ARG 62.A NE ASP 58.A OD1 no hydrogen 2.738 N/A ARG 62.A NH2 GLU 90.A OE1 no hydrogen 2.944 N/A ILE 63.A N GLY 59.A O no hydrogen 3.351 N/A ILE 63.A N TYR 60.A O no hydrogen 3.231 N/A LYS 64.A N TYR 60.A O no hydrogen 2.780 N/A LYS 64.A NZ ASN 17.A O no hydrogen 2.895 N/A LYS 64.A NZ ASN 17.A OD1 no hydrogen 2.920 N/A LYS 64.A NZ TYR 60.A OH no hydrogen 3.441 N/A LYS 64.A NZ GLU 430.A OE1 no hydrogen 2.877 N/A GLY 65.A N ALA 61.A O no hydrogen 2.747 N/A SER 67.A N GLY 93.A O no hydrogen 3.154 N/A SER 67.A OG ALA 57.A O no hydrogen 2.691 N/A CYS 68.A SG LEU 95.A O no hydrogen 3.672 N/A ILE 69.A N LEU 95.A O no hydrogen 2.919 N/A ILE 70.A N PHE 22.A O no hydrogen 2.782 N/A THR 71.A N VAL 97.A O no hydrogen 3.012 N/A THR 71.A OG1 HIS 96.A NE2 no hydrogen 2.819 N/A PHE 73.A N GLY 99.A O no hydrogen 2.960 N/A GLY 74.A N GLU 77.A OE2 no hydrogen 2.900 N/A VAL 75.A N PHE 73.A O no hydrogen 2.832 N/A GLY 76.A N THR 72.A O no hydrogen 2.988 N/A GLU 77.A N THR 72.A O no hydrogen 2.994 N/A LEU 78.A N GLY 74.A O no hydrogen 3.035 N/A SER 79.A OG VAL 75.A O no hydrogen 2.756 N/A ALA 80.A N GLY 76.A O no hydrogen 3.305 N/A ALA 80.A N GLU 77.A O no hydrogen 3.041 N/A LEU 81.A N LEU 78.A O no hydrogen 3.387 N/A ASN 82.A ND2 SER 413.A OG no hydrogen 2.851 N/A ILE 84.A N ALA 80.A O no hydrogen 3.089 N/A ALA 85.A N LEU 81.A O no hydrogen 2.746 N/A GLY 86.A N ASN 82.A O no hydrogen 3.162 N/A SER 87.A N GLY 83.A O no hydrogen 2.987 N/A SER 87.A OG ASP 58.A OD2 no hydrogen 2.644 N/A SER 87.A OG GLY 83.A O no hydrogen 3.296 N/A TYR 88.A N ILE 84.A O no hydrogen 2.837 N/A ALA 89.A N ALA 85.A O no hydrogen 2.820 N/A GLU 90.A N GLY 86.A O no hydrogen 3.019 N/A HIS 91.A N TYR 88.A O no hydrogen 3.384 N/A HIS 91.A ND1 HIS 224.A NE2 no hydrogen 2.924 N/A VAL 92.A N SER 87.A O no hydrogen 2.770 N/A GLY 93.A N GLN 159.A OE1 no hydrogen 3.063 N/A LEU 95.A N SER 67.A O no hydrogen 2.880 N/A HIS 96.A N VAL 162.A O no hydrogen 2.863 N/A HIS 96.A NE2 THR 71.A OG1 no hydrogen 2.819 N/A VAL 97.A N ILE 69.A O no hydrogen 2.812 N/A VAL 98.A N LEU 164.A O no hydrogen 2.899 N/A GLY 99.A N THR 71.A O no hydrogen 3.032 N/A VAL 100.A N LEU 166.A O no hydrogen 3.082 N/A SER 102.A OG SER 104.A OG no hydrogen 3.300 N/A ILE 103.A N ASN 169.A OD1 no hydrogen 3.075 N/A SER 104.A OG SER 102.A OG no hydrogen 3.300 N/A ALA 105.A N SER 102.A OG no hydrogen 3.173 N/A GLN 106.A N SER 102.A O no hydrogen 2.998 N/A GLN 106.A NE2 PRO 101.A O no hydrogen 2.864 N/A ALA 107.A N ILE 103.A O no hydrogen 2.905 N/A LYS 108.A N SER 104.A O no hydrogen 3.126 N/A GLN 109.A N GLN 106.A O no hydrogen 2.906 N/A GLN 109.A NE2 GLN 106.A O no hydrogen 2.502 N/A LEU 110.A N ALA 105.A O no hydrogen 3.189 N/A LEU 112.A N LEU 110.A O no hydrogen 2.847 N/A THR 115.A OG1 LEU 112.A O no hydrogen 2.713 N/A GLY 117.A N THR 115.A OG1 no hydrogen 3.294 N/A ASP 120.A N ASN 118.A OD1 no hydrogen 3.129 N/A THR 122.A N ASP 120.A OD1 no hydrogen 2.920 N/A THR 122.A OG1 ASP 120.A OD1 no hydrogen 2.640 N/A HIS 125.A NE2 THR 135.A OG1 no hydrogen 2.777 N/A ARG 126.A N THR 122.A O no hydrogen 2.937 N/A ARG 126.A NE THR 122.A OG1 no hydrogen 3.085 N/A ARG 126.A NH1 ASP 120.A OD2 no hydrogen 2.959 N/A MET 127.A N VAL 123.A O no hydrogen 2.998 N/A SER 128.A N PHE 124.A O no hydrogen 2.967 N/A ALA 129.A N HIS 125.A O no hydrogen 2.976 N/A ALA 129.A N ARG 126.A O no hydrogen 3.278 N/A ASN 130.A N MET 127.A O no hydrogen 3.268 N/A ASN 130.A ND2 MET 127.A O no hydrogen 3.125 N/A ILE 131.A N SER 128.A O no hydrogen 3.031 N/A SER 132.A OG SER 128.A O no hydrogen 2.767 N/A GLU 133.A N PRO 161.A O no hydrogen 2.833 N/A THR 135.A OG1 HIS 125.A NE2 no hydrogen 2.777 N/A ALA 136.A N TYR 163.A O no hydrogen 2.723 N/A ILE 138.A N GLY 165.A O no hydrogen 2.982 N/A THR 143.A OG1 ASP 140.A OD1 no hydrogen 3.143 N/A GLU 147.A N THR 143.A O no hydrogen 3.075 N/A ILE 148.A N ALA 144.A O no hydrogen 2.901 N/A ASP 149.A N PRO 145.A O no hydrogen 2.958 N/A ARG 150.A N ALA 146.A O no hydrogen 2.851 N/A ARG 150.A NE GLU 147.A OE2 no hydrogen 2.782 N/A ARG 150.A NH1 THR 135.A O no hydrogen 3.172 N/A ARG 150.A NH1 GLU 147.A OE1 no hydrogen 2.991 N/A ARG 150.A NH1 GLU 147.A OE2 no hydrogen 3.493 N/A ARG 150.A NH2 THR 134.A OG1 no hydrogen 2.896 N/A CYS 151.A N GLU 147.A O no hydrogen 2.969 N/A CYS 151.A SG GLU 147.A O no hydrogen 3.359 N/A ILE 152.A N ILE 148.A O no hydrogen 2.991 N/A ARG 153.A N ASP 149.A O no hydrogen 2.927 N/A ARG 153.A NH1 ASP 185.A O no hydrogen 2.694 N/A ARG 153.A NH1 SER 187.A O no hydrogen 2.847 N/A ARG 153.A NH2 SER 187.A O no hydrogen 2.907 N/A THR 154.A N ARG 150.A O no hydrogen 2.926 N/A THR 154.A OG1 ARG 150.A O no hydrogen 2.940 N/A THR 155.A N CYS 151.A O no hydrogen 2.953 N/A THR 155.A OG1 CYS 151.A O no hydrogen 2.800 N/A TYR 156.A N ILE 152.A O no hydrogen 3.188 N/A VAL 157.A N ARG 153.A O no hydrogen 2.948 N/A THR 158.A N THR 154.A O no hydrogen 3.027 N/A THR 158.A OG1 THR 154.A O no hydrogen 2.737 N/A GLN 159.A NE2 GLY 65.A O no hydrogen 2.912 N/A GLN 159.A NE2 TYR 156.A O no hydrogen 2.978 N/A ARG 160.A NE TYR 88.A O no hydrogen 2.726 N/A ARG 160.A NH2 TYR 88.A O no hydrogen 2.994 N/A VAL 162.A N VAL 94.A O no hydrogen 3.049 N/A TYR 163.A N THR 134.A O no hydrogen 3.104 N/A TYR 163.A OH GLU 77.A OE1 no hydrogen 2.534 N/A LEU 164.A N HIS 96.A O no hydrogen 2.887 N/A GLY 165.A N ALA 136.A O no hydrogen 2.842 N/A LEU 166.A N VAL 98.A O no hydrogen 2.835 N/A ALA 168.A N VAL 100.A O no hydrogen 2.883 N/A LEU 170.A N PRO 167.A O no hydrogen 3.065 N/A LEU 173.A N LEU 170.A O no hydrogen 3.223 N/A VAL 175.A N ILE 3.A O no hydrogen 2.722 N/A ALA 177.A N SER 1.A O no hydrogen 2.927 N/A LEU 179.A N PRO 176.A O no hydrogen 3.279 N/A LEU 180.A N ALA 177.A O no hydrogen 3.003 N/A GLN 181.A N LYS 178.A O no hydrogen 3.056 N/A THR 182.A N LEU 179.A O no hydrogen 3.424 N/A SER 187.A N ASP 185.A OD2 no hydrogen 3.100 N/A SER 187.A OG ASP 185.A OD2 no hydrogen 2.901 N/A ASN 191.A ND2 GLU 196.A OE1 no hydrogen 2.782 N/A ASN 191.A ND2 GLN 324.A O no hydrogen 3.185 N/A SER 195.A N ASP 192.A OD2 no hydrogen 2.856 N/A GLU 196.A N ASP 192.A O no hydrogen 2.918 N/A LYS 197.A N ALA 193.A O no hydrogen 2.987 N/A GLU 198.A N GLU 194.A O no hydrogen 3.083 N/A VAL 199.A N SER 195.A O no hydrogen 3.056 N/A ILE 200.A N GLU 196.A O no hydrogen 2.964 N/A ASP 201.A N LYS 197.A O no hydrogen 2.894 N/A THR 202.A N GLU 198.A O no hydrogen 2.929 N/A ILE 203.A N VAL 199.A O no hydrogen 2.960 N/A LEU 204.A N ILE 200.A O no hydrogen 2.981 N/A VAL 205.A N ASP 201.A O no hydrogen 3.179 N/A LEU 206.A N THR 202.A O no hydrogen 3.118 N/A ASP 207.A N ILE 203.A O no hydrogen 2.895 N/A LYS 208.A N LEU 204.A O no hydrogen 3.061 N/A ASP 209.A N VAL 205.A O no hydrogen 3.333 N/A ASP 209.A N LEU 206.A O no hydrogen 3.151 N/A ALA 210.A N ASP 207.A O no hydrogen 3.263 N/A LYS 211.A N ASP 279.A OD1 no hydrogen 2.867 N/A ASN 212.A N ASP 279.A OD2 no hydrogen 2.810 N/A ASN 212.A ND2 SER 277.A O no hydrogen 3.164 N/A ASN 212.A ND2 SER 277.A OG no hydrogen 3.191 N/A VAL 214.A N LEU 280.A O no hydrogen 2.949 N/A ILE 215.A N PRO 240.A O no hydrogen 2.902 N/A LEU 216.A N LEU 282.A O no hydrogen 2.902 N/A ALA 217.A N PHE 242.A O no hydrogen 2.883 N/A ASP 218.A N VAL 284.A O no hydrogen 2.905 N/A ALA 219.A N ASP 218.A OD1 no hydrogen 2.675 N/A CYS 220.A N GLY 285.A O no hydrogen 2.897 N/A CYS 221.A N ASP 218.A O no hydrogen 2.959 N/A SER 222.A N ALA 219.A O no hydrogen 3.128 N/A ARG 223.A N ALA 219.A O no hydrogen 3.058 N/A ARG 223.A NE HIS 91.A O no hydrogen 2.875 N/A ARG 223.A NH2 HIS 91.A O no hydrogen 3.027 N/A HIS 224.A N CYS 220.A O no hydrogen 2.980 N/A HIS 224.A NE2 HIS 91.A ND1 no hydrogen 2.924 N/A ASP 225.A N SER 222.A O no hydrogen 3.146 N/A VAL 226.A N CYS 221.A O no hydrogen 2.964 N/A GLU 229.A N GLU 229.A OE1 no hydrogen 2.839 N/A THR 230.A N VAL 226.A O no hydrogen 2.948 N/A LYS 231.A N LYS 227.A O no hydrogen 2.899 N/A LYS 231.A NZ ASP 235.A OD2 no hydrogen 3.429 N/A LYS 232.A N ALA 228.A O no hydrogen 3.109 N/A LEU 233.A N GLU 229.A O no hydrogen 2.957 N/A ILE 234.A N THR 230.A O no hydrogen 2.941 N/A ASP 235.A N LYS 231.A O no hydrogen 3.082 N/A LEU 236.A N LYS 232.A O no hydrogen 2.895 N/A THR 237.A N LEU 233.A O no hydrogen 3.150 N/A THR 237.A OG1 LEU 233.A O no hydrogen 3.272 N/A GLN 238.A N ILE 234.A O no hydrogen 2.894 N/A GLN 238.A NE2 ASP 235.A O no hydrogen 2.896 N/A ALA 241.A N ARG 257.A O no hydrogen 3.010 N/A PHE 242.A N ILE 215.A O no hydrogen 2.819 N/A VAL 243.A N GLY 260.A O no hydrogen 2.995 N/A THR 244.A N ALA 217.A O no hydrogen 2.996 N/A THR 244.A OG1 ASP 218.A OD1 no hydrogen 2.541 N/A MET 246.A N ASN 292.A OD1 no hydrogen 2.877 N/A GLY 247.A N THR 244.A O no hydrogen 3.140 N/A GLY 247.A N THR 244.A OG1 no hydrogen 3.001 N/A LYS 248.A N PRO 245.A O no hydrogen 3.333 N/A LYS 248.A NZ GLU 253.A OE1 no hydrogen 3.006 N/A LYS 248.A NZ GLU 253.A OE2 no hydrogen 2.746 N/A LYS 248.A NZ THR 397.A O no hydrogen 2.689 N/A SER 250.A N GLY 247.A O no hydrogen 2.884 N/A SER 250.A OG GLY 247.A O no hydrogen 2.697 N/A GLN 254.A N ASN 401.A OD1 no hydrogen 3.000 N/A GLN 254.A NE2 PHE 399.A O no hydrogen 2.814 N/A HIS 255.A N ASP 252.A O no hydrogen 3.262 N/A HIS 255.A NE2 ASP 235.A OD1 no hydrogen 2.940 N/A ARG 257.A N HIS 255.A ND1 no hydrogen 2.957 N/A ARG 257.A NE GLN 238.A O no hydrogen 2.799 N/A ARG 257.A NH1 VAL 346.A O no hydrogen 2.915 N/A ARG 257.A NH2 GLN 238.A O no hydrogen 2.953 N/A ARG 257.A NH2 VAL 346.A O no hydrogen 2.731 N/A TYR 258.A N HIS 255.A O no hydrogen 3.010 N/A GLY 259.A N ALA 241.A O no hydrogen 2.731 N/A TYR 262.A N VAL 243.A O no hydrogen 2.820 N/A TYR 262.A OH GLU 276.A OE2 no hydrogen 2.636 N/A VAL 263.A N SER 267.A OG no hydrogen 2.827 N/A THR 265.A N SER 297.A OG no hydrogen 2.917 N/A THR 265.A OG1 SER 297.A OG no hydrogen 3.009 N/A LEU 266.A N VAL 263.A O no hydrogen 3.138 N/A SER 267.A N GLY 264.A O no hydrogen 3.208 N/A SER 267.A OG GLY 264.A O no hydrogen 2.693 N/A LYS 268.A NZ ALA 350.A O no hydrogen 3.232 N/A LYS 268.A NZ THR 352.A OG1 no hydrogen 3.147 N/A LYS 272.A N LYS 268.A O no hydrogen 2.931 N/A LYS 272.A NZ GLU 273.A OE1 no hydrogen 3.387 N/A LYS 272.A NZ GLU 276.A OE1 no hydrogen 2.934 N/A GLU 273.A N PRO 269.A O no hydrogen 3.013 N/A ALA 274.A N GLU 270.A O no hydrogen 2.956 N/A VAL 275.A N VAL 271.A O no hydrogen 2.987 N/A GLU 276.A N LYS 272.A O no hydrogen 2.854 N/A SER 277.A N GLU 273.A O no hydrogen 2.930 N/A SER 277.A OG GLU 273.A O no hydrogen 2.839 N/A SER 277.A OG ALA 274.A O no hydrogen 3.293 N/A ALA 278.A N VAL 275.A O no hydrogen 3.062 N/A ASP 279.A N ASN 212.A O no hydrogen 3.035 N/A ILE 281.A N ASN 304.A O no hydrogen 2.913 N/A LEU 282.A N VAL 214.A O no hydrogen 2.787 N/A SER 283.A N VAL 306.A O no hydrogen 2.816 N/A VAL 284.A N LEU 216.A O no hydrogen 2.865 N/A GLY 285.A N PHE 308.A O no hydrogen 2.890 N/A LEU 287.A N ASP 218.A OD2 no hydrogen 2.857 N/A SER 289.A N LEU 287.A O no hydrogen 2.919 N/A PHE 291.A N ASP 290.A OD2 no hydrogen 2.740 N/A ASN 292.A N SER 289.A OG no hydrogen 3.344 N/A ASN 292.A ND2 ASP 218.A OD1 no hydrogen 2.883 N/A ASN 292.A ND2 LEU 287.A O no hydrogen 2.874 N/A THR 293.A N ASP 290.A O no hydrogen 3.304 N/A THR 293.A OG1 SER 289.A O no hydrogen 3.385 N/A SER 295.A N ASP 290.A O no hydrogen 2.750 N/A SER 297.A N THR 293.A O no hydrogen 3.200 N/A SER 297.A OG THR 265.A OG1 no hydrogen 3.009 N/A SER 297.A OG THR 293.A O no hydrogen 2.894 N/A SER 297.A OG GLY 294.A O no hydrogen 3.258 N/A SER 299.A N GLU 276.A OE2 no hydrogen 2.973 N/A LYS 301.A N GLU 276.A O no hydrogen 3.207 N/A LYS 301.A NZ SER 299.A O no hydrogen 2.585 N/A LYS 301.A NZ SER 299.A OG no hydrogen 3.075 N/A THR 302.A OG1 ALA 278.A O no hydrogen 3.470 N/A ASN 304.A ND2 ASP 279.A O no hydrogen 2.957 N/A VAL 306.A N ILE 281.A O no hydrogen 2.919 N/A GLU 307.A N LYS 314.A O no hydrogen 2.745 N/A PHE 308.A N SER 283.A O no hydrogen 2.794 N/A HIS 309.A N HIS 312.A O no hydrogen 3.075 N/A HIS 309.A NE2 GLU 307.A OE2 no hydrogen 2.732 N/A HIS 312.A ND1 ASP 311.A OD2 no hydrogen 2.812 N/A MET 313.A N PHE 320.A O no hydrogen 3.238 N/A LYS 314.A N GLU 307.A O no hydrogen 3.034 N/A ILE 315.A N ALA 318.A O no hydrogen 2.856 N/A ARG 316.A N ILE 305.A O no hydrogen 2.816 N/A ALA 318.A N ILE 315.A O no hydrogen 2.930 N/A PHE 320.A N MET 313.A O no hydrogen 2.767 N/A VAL 323.A N PHE 320.A O no hydrogen 3.355 N/A GLN 324.A N ASN 191.A OD1 no hydrogen 2.838 N/A GLN 324.A NE2 LYS 189.A O no hydrogen 2.631 N/A GLN 324.A NE2 ASN 191.A OD1 no hydrogen 2.973 N/A MET 325.A N HIS 309.A O no hydrogen 2.971 N/A LYS 326.A NZ ASP 225.A O no hydrogen 2.784 N/A LYS 326.A NZ ASP 225.A OD2 no hydrogen 3.459 N/A LYS 326.A NZ GLU 229.A OE1 no hydrogen 3.526 N/A LYS 326.A NZ GLU 229.A OE2 no hydrogen 3.018 N/A VAL 328.A N GLN 324.A O no hydrogen 3.463 N/A LEU 329.A N MET 325.A O no hydrogen 2.788 N/A GLN 330.A N LYS 326.A O no hydrogen 3.096 N/A GLN 330.A NE2 GLU 229.A OE2 no hydrogen 2.799 N/A LYS 331.A N PHE 327.A O no hydrogen 3.010 N/A LYS 331.A NZ GLU 196.A OE2 no hydrogen 2.778 N/A LEU 332.A N VAL 328.A O no hydrogen 2.856 N/A LEU 333.A N LEU 329.A O no hydrogen 3.217 N/A LEU 333.A N GLN 330.A O no hydrogen 3.289 N/A THR 334.A N LYS 331.A O no hydrogen 3.132 N/A THR 334.A OG1 LYS 331.A O no hydrogen 3.361 N/A ALA 335.A N LEU 332.A O no hydrogen 3.095 N/A ILE 336.A N LEU 332.A O no hydrogen 2.875 N/A ALA 339.A N ALA 335.A O no hydrogen 3.081 N/A ALA 340.A N ILE 336.A O no hydrogen 2.929 N/A ALA 340.A N ALA 337.A O no hydrogen 3.117 N/A LYS 341.A N ASP 338.A O no hydrogen 3.136 N/A TYR 343.A N ALA 340.A O no hydrogen 2.970 N/A VAL 346.A N TYR 343.A OH no hydrogen 2.911 N/A ARG 351.A NH2 GLN 254.A OE1 no hydrogen 2.559 N/A ASN 355.A ND2 TRP 368.A O no hydrogen 2.940 N/A ASN 355.A ND2 GLN 372.A OE1 no hydrogen 2.917 N/A THR 362.A N PRO 359.A O no hydrogen 2.963 N/A THR 362.A OG1 PRO 359.A O no hydrogen 2.703 N/A LEU 364.A N ALA 512.A O no hydrogen 2.992 N/A GLN 366.A N ASP 543.A OD2 no hydrogen 2.699 N/A GLN 366.A NE2 THR 389.A OG1 no hydrogen 2.949 N/A MET 369.A N LYS 365.A O no hydrogen 2.941 N/A TRP 370.A N GLN 366.A O no hydrogen 2.929 N/A TRP 370.A NE1 GLN 366.A OE1 no hydrogen 2.806 N/A ASN 371.A N GLU 367.A O no hydrogen 3.247 N/A ASN 371.A ND2 PRO 353.A O no hydrogen 3.019 N/A ASN 371.A ND2 ASN 355.A OD1 no hydrogen 2.913 N/A GLN 372.A N TRP 368.A O no hydrogen 2.790 N/A GLN 372.A NE2 ASP 518.A OD1 no hydrogen 2.732 N/A LEU 373.A N MET 369.A O no hydrogen 2.796 N/A ASN 375.A N GLN 372.A O no hydrogen 2.998 N/A PHE 376.A N LEU 373.A O no hydrogen 2.954 N/A LEU 377.A N LEU 373.A O no hydrogen 3.352 N/A GLN 378.A N ASP 381.A OD2 no hydrogen 2.820 N/A GLY 380.A N ASN 402.A O no hydrogen 2.866 N/A ASP 381.A N GLN 378.A O no hydrogen 3.133 N/A VAL 382.A N ARG 436.A O no hydrogen 2.946 N/A VAL 383.A N TYR 404.A O no hydrogen 2.866 N/A ILE 384.A N ILE 438.A O no hydrogen 2.776 N/A ALA 385.A N ILE 406.A O no hydrogen 3.046 N/A GLU 386.A N PHE 440.A O no hydrogen 2.927 N/A THR 387.A N GLU 386.A OE1 no hydrogen 2.823 N/A ALA 391.A N GLU 386.A O no hydrogen 2.825 N/A GLY 393.A N THR 389.A O no hydrogen 2.764 N/A ILE 394.A N SER 390.A O no hydrogen 2.901 N/A ASN 395.A ND2 PHE 392.A O no hydrogen 3.459 N/A GLN 396.A N GLY 393.A O no hydrogen 2.885 N/A THR 397.A N ILE 394.A O no hydrogen 2.999 N/A THR 397.A OG1 TRP 370.A O no hydrogen 2.758 N/A PHE 399.A N GLU 253.A OE1 no hydrogen 2.829 N/A ASN 402.A N ASP 252.A OD2 no hydrogen 3.037 N/A THR 403.A OG1 PRO 400.A O no hydrogen 2.690 N/A TYR 404.A N ASP 381.A O no hydrogen 2.989 N/A TYR 404.A OH SER 222.A OG no hydrogen 3.202 N/A ILE 406.A N VAL 383.A O no hydrogen 2.880 N/A VAL 409.A N SER 407.A O no hydrogen 2.930 N/A LEU 410.A N GLU 90.A OE2 no hydrogen 2.832 N/A TRP 411.A N GLU 90.A OE2 no hydrogen 2.885 N/A TRP 411.A NE1 ASN 82.A OD1 no hydrogen 3.030 N/A SER 413.A N GLN 408.A OE1 no hydrogen 2.907 N/A SER 413.A OG TYR 55.A OH no hydrogen 2.800 N/A GLY 415.A N GLU 386.A OE2 no hydrogen 2.874 N/A PHE 416.A N SER 413.A O no hydrogen 3.024 N/A THR 417.A N GLU 386.A OE2 no hydrogen 3.007 N/A THR 417.A OG1 GLU 386.A OE2 no hydrogen 2.799 N/A THR 418.A N GLY 415.A O no hydrogen 3.284 N/A THR 418.A OG1 THR 449.A OG1 no hydrogen 2.803 N/A ALA 420.A N PHE 416.A O no hydrogen 2.892 N/A THR 421.A N THR 417.A O no hydrogen 2.762 N/A THR 421.A OG1 THR 417.A O no hydrogen 2.639 N/A LEU 422.A N THR 418.A O no hydrogen 3.297 N/A GLY 423.A N GLY 419.A O no hydrogen 3.097 N/A ALA 424.A N ALA 420.A O no hydrogen 2.773 N/A ALA 425.A N THR 421.A O no hydrogen 2.850 N/A PHE 426.A N LEU 422.A O no hydrogen 2.977 N/A ALA 427.A N GLY 423.A O no hydrogen 3.058 N/A ALA 428.A N ALA 424.A O no hydrogen 2.771 N/A GLU 429.A N ALA 425.A O no hydrogen 2.920 N/A GLU 430.A N PHE 426.A O no hydrogen 3.097 N/A ILE 431.A N ALA 427.A O no hydrogen 3.014 N/A ASP 432.A N ALA 428.A O no hydrogen 2.850 N/A LYS 434.A N ASP 432.A OD1 no hydrogen 3.045 N/A LYS 434.A NZ ASP 528.A OD1 no hydrogen 2.913 N/A LYS 434.A NZ ASN 529.A OD1 no hydrogen 2.887 N/A LYS 435.A N ASP 432.A O no hydrogen 2.913 N/A LYS 435.A NZ GLY 380.A O no hydrogen 3.518 N/A ARG 436.A NE ASP 381.A OD1 no hydrogen 3.000 N/A ARG 436.A NH1 ASN 527.A O no hydrogen 3.104 N/A ARG 436.A NH1 ASN 527.A OD1 no hydrogen 3.030 N/A ARG 436.A NH2 PHE 376.A O no hydrogen 2.826 N/A ARG 436.A NH2 ASP 381.A OD2 no hydrogen 2.811 N/A ILE 438.A N VAL 382.A O no hydrogen 2.834 N/A LEU 439.A N TYR 464.A O no hydrogen 2.842 N/A PHE 440.A N ILE 384.A O no hydrogen 2.833 N/A ILE 441.A N PHE 466.A O no hydrogen 2.961 N/A ASP 443.A N LEU 468.A O no hydrogen 3.079 N/A LEU 446.A N GLY 442.A O no hydrogen 2.988 N/A GLN 447.A N GLY 444.A O no hydrogen 3.177 N/A GLN 447.A NE2 GLN 490.A O no hydrogen 2.994 N/A LEU 448.A N SER 445.A O no hydrogen 3.147 N/A THR 449.A N LEU 446.A O no hydrogen 3.271 N/A THR 449.A OG1 GLY 415.A O no hydrogen 2.719 N/A THR 449.A OG1 THR 418.A OG1 no hydrogen 2.803 N/A GLN 451.A N GLN 451.A OE1 no hydrogen 2.986 N/A GLU 452.A N THR 449.A O no hydrogen 3.109 N/A ILE 453.A N VAL 450.A O no hydrogen 3.177 N/A SER 454.A N GLN 451.A O no hydrogen 2.890 N/A THR 455.A N GLU 452.A O no hydrogen 3.139 N/A THR 455.A OG1 GLY 46.A O no hydrogen 3.566 N/A THR 455.A OG1 GLU 452.A OE2 no hydrogen 2.765 N/A MET 456.A N GLU 452.A O no hydrogen 3.380 N/A ILE 457.A N ILE 453.A O no hydrogen 3.131 N/A ARG 458.A N SER 454.A O no hydrogen 2.959 N/A ARG 458.A NH1 GLY 46.A O no hydrogen 2.900 N/A TRP 459.A NE1 ALA 45.A O no hydrogen 2.848 N/A GLY 460.A N ILE 457.A O no hydrogen 3.021 N/A LEU 461.A N MET 456.A O no hydrogen 2.962 N/A LYS 462.A NZ ASN 529.A O no hydrogen 2.849 N/A TYR 464.A N VAL 437.A O no hydrogen 2.845 N/A TYR 464.A OH PHE 526.A O no hydrogen 2.641 N/A LEU 465.A N ARG 533.A O no hydrogen 2.812 N/A PHE 466.A N LEU 439.A O no hydrogen 2.834 N/A VAL 467.A N ILE 535.A O no hydrogen 2.912 N/A LEU 468.A N ILE 441.A O no hydrogen 2.866 N/A ASN 469.A N VAL 537.A O no hydrogen 2.816 N/A ASN 469.A ND2 GLU 536.A OE2 no hydrogen 2.980 N/A ASP 471.A N ASN 469.A OD1 no hydrogen 3.108 N/A GLY 472.A N ASP 443.A OD2 no hydrogen 3.105 N/A TYR 473.A N ASN 487.A O no hydrogen 2.911 N/A THR 474.A OG1 VAL 541.A O no hydrogen 3.105 N/A LYS 477.A N TYR 473.A O no hydrogen 3.006 N/A LYS 477.A NZ ASP 471.A O no hydrogen 3.077 N/A LYS 477.A NZ GLU 488.A OE1 no hydrogen 2.812 N/A LYS 477.A NZ GLU 488.A OE2 no hydrogen 3.526 N/A LEU 478.A N THR 474.A O no hydrogen 3.018 N/A ILE 479.A N GLU 476.A O no hydrogen 2.796 N/A HIS 480.A N GLU 476.A O no hydrogen 2.854 N/A ALA 484.A N GLY 481.A O no hydrogen 3.058 N/A ASN 487.A N ALA 484.A O no hydrogen 2.940 N/A ASN 487.A ND2 HIS 480.A O no hydrogen 3.061 N/A ASN 487.A ND2 GLY 481.A O no hydrogen 2.852 N/A GLU 488.A N GLN 485.A O no hydrogen 3.057 N/A HIS 494.A ND1 GLU 536.A OE2 no hydrogen 2.790 N/A SER 496.A N ASP 493.A O no hydrogen 3.092 N/A SER 496.A OG ASP 493.A O no hydrogen 2.529 N/A LEU 497.A N HIS 494.A O no hydrogen 3.011 N/A THR 500.A N SER 496.A O no hydrogen 3.074 N/A THR 500.A OG1 SER 496.A O no hydrogen 2.948 N/A PHE 501.A N LEU 497.A O no hydrogen 3.008 N/A GLY 502.A N PRO 499.A O no hydrogen 2.889 N/A ALA 503.A N LEU 498.A O no hydrogen 2.996 N/A GLU 507.A N ILE 532.A O no hydrogen 3.114 N/A HIS 509.A N MET 534.A O no hydrogen 2.941 N/A HIS 509.A NE2 GLU 507.A OE2 no hydrogen 2.743 N/A ARG 510.A NE GLU 536.A OE1 no hydrogen 2.684 N/A ARG 510.A NH2 GLU 536.A OE1 no hydrogen 3.171 N/A VAL 511.A N GLU 536.A O no hydrogen 2.923 N/A ALA 512.A N GLU 516.A OE1 no hydrogen 2.727 N/A THR 513.A OG1 ALA 360.A O no hydrogen 3.226 N/A THR 514.A N THR 362.A O no hydrogen 2.885 N/A GLY 515.A N ALA 360.A O no hydrogen 2.838 N/A GLU 516.A N THR 513.A OG1 no hydrogen 3.073 N/A TRP 517.A N THR 513.A O no hydrogen 2.894 N/A ASP 518.A N THR 514.A O no hydrogen 3.035 N/A LYS 519.A N GLY 515.A O no hydrogen 2.939 N/A LEU 520.A N GLU 516.A O no hydrogen 3.088 N/A THR 521.A N TRP 517.A O no hydrogen 2.924 N/A THR 521.A OG1 TRP 517.A O no hydrogen 2.848 N/A GLN 522.A N ASP 518.A O no hydrogen 2.919 N/A ASP 523.A N LEU 520.A O no hydrogen 3.276 N/A SER 525.A OG ASP 523.A OD2 no hydrogen 2.688 N/A PHE 526.A N ASP 523.A OD2 no hydrogen 2.894 N/A ASN 527.A N ASP 523.A O no hydrogen 3.234 N/A ASN 527.A N LYS 524.A O no hydrogen 3.121 N/A ASN 527.A ND2 THR 521.A O no hydrogen 2.904 N/A ASN 527.A ND2 ASP 523.A O no hydrogen 2.882 N/A ASP 528.A N SER 525.A O no hydrogen 3.130 N/A ASN 529.A ND2 PRO 433.A O no hydrogen 2.988 N/A ARG 533.A N PRO 463.A O no hydrogen 3.241 N/A ARG 533.A NE GLU 507.A OE2 no hydrogen 3.051 N/A ARG 533.A NH1 ASP 528.A O no hydrogen 2.937 N/A ARG 533.A NH2 ASP 528.A O no hydrogen 2.874 N/A MET 534.A N GLU 507.A O no hydrogen 2.964 N/A ILE 535.A N LEU 465.A O no hydrogen 2.749 N/A GLU 536.A N HIS 509.A O no hydrogen 2.762 N/A VAL 537.A N VAL 467.A O no hydrogen 2.927 N/A MET 538.A N VAL 511.A O no hydrogen 2.924 N/A LEU 539.A N ASN 469.A O no hydrogen 2.919 N/A ASP 543.A N PRO 540.A O no hydrogen 3.383 N/A GLN 546.A NE2 GLU 550.A OE2 no hydrogen 2.711 N/A ASN 547.A ND2 PHE 392.A O no hydrogen 2.988 N/A LEU 548.A N PRO 545.A O no hydrogen 3.005 N/A VAL 549.A N PRO 545.A O no hydrogen 3.167 N/A GLU 550.A N GLN 546.A O no hydrogen 3.090 N/A GLN 551.A N ASN 547.A O no hydrogen 2.907 N/A GLN 551.A NE2 SER 295.A OG no hydrogen 2.781 N/A GLN 551.A NE2 THR 555.A OG1 no hydrogen 3.057 N/A ALA 552.A N LEU 548.A O no hydrogen 2.851 N/A LEU 554.A N GLU 550.A O no hydrogen 3.234 N/A THR 555.A N GLN 551.A O no hydrogen 2.912 N/A THR 555.A OG1 GLN 551.A O no hydrogen 3.406 N/A ALA 556.A N ALA 552.A O no hydrogen 2.925 N/A ALA 557.A N LYS 553.A O no hydrogen 3.047 N/A THR 558.A N LEU 554.A O no hydrogen 2.962 N/A THR 558.A OG1 LEU 554.A O no hydrogen 3.003 N/A ASN 559.A N THR 555.A O no hydrogen 3.073 N/A ALA 560.A N ALA 556.A O no hydrogen 3.025 N/A LYS 561.A N ALA 557.A O no hydrogen 3.032 N/A