Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ve1_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 ASP 1.A OD1 no hydrogen 2.967 N/A THR 3.A OG1 SER 34.A OG no hydrogen 3.174 N/A VAL 4.A N SER 34.A O no hydrogen 2.963 N/A ARG 5.A N ASP 56.A OD2 no hydrogen 3.023 N/A ARG 5.A NE ASP 56.A OD2 no hydrogen 2.956 N/A ARG 5.A NH1 ASN 53.A O no hydrogen 2.914 N/A ARG 5.A NH2 ASN 53.A O no hydrogen 3.141 N/A ARG 5.A NH2 ASN 53.A OD1 no hydrogen 3.231 N/A ARG 5.A NH2 ASP 56.A OD1 no hydrogen 3.041 N/A TRP 6.A N ALA 36.A O no hydrogen 2.817 N/A CYS 7.A N ALA 57.A O no hydrogen 2.913 N/A CYS 7.A SG VAL 38.A O no hydrogen 3.853 N/A ALA 8.A N VAL 38.A O no hydrogen 2.776 N/A VAL 9.A N GLU 13.A OE1 no hydrogen 2.877 N/A GLU 13.A N SER 10.A OG no hydrogen 3.104 N/A ALA 14.A N SER 10.A O no hydrogen 2.691 N/A THR 15.A N GLU 11.A O no hydrogen 2.815 N/A LYS 16.A N HIS 12.A O no hydrogen 3.094 N/A LYS 16.A NZ LEU 282.A O no hydrogen 3.066 N/A LYS 16.A NZ SER 284.A O no hydrogen 2.791 N/A LYS 16.A NZ LEU 291.A O no hydrogen 3.090 N/A CYS 17.A N GLU 13.A O no hydrogen 2.820 N/A GLN 18.A N ALA 14.A O no hydrogen 3.008 N/A SER 19.A N THR 15.A O no hydrogen 3.053 N/A PHE 20.A N LYS 16.A O no hydrogen 2.911 N/A ARG 21.A N CYS 17.A O no hydrogen 2.756 N/A ARG 21.A NE ASP 22.A OD1 no hydrogen 2.604 N/A ARG 21.A NH2 ASP 22.A OD1 no hydrogen 3.384 N/A ASP 22.A N GLN 18.A O no hydrogen 2.971 N/A HIS 23.A N SER 19.A O no hydrogen 3.001 N/A HIS 23.A ND1 SER 19.A O no hydrogen 2.882 N/A MET 24.A N PHE 20.A O no hydrogen 2.969 N/A LYS 25.A N ARG 21.A O no hydrogen 3.215 N/A SER 26.A N HIS 23.A O no hydrogen 3.163 N/A SER 26.A OG HIS 23.A O no hydrogen 2.485 N/A VAL 27.A N MET 24.A O no hydrogen 2.883 N/A ILE 28.A N MET 24.A O no hydrogen 2.912 N/A GLY 32.A N PRO 29.A O no hydrogen 2.876 N/A SER 34.A N LYS 2.A O no hydrogen 3.293 N/A ALA 36.A N VAL 4.A O no hydrogen 2.982 N/A VAL 38.A N TRP 6.A O no hydrogen 2.841 N/A LYS 39.A NZ LYS 40.A O no hydrogen 3.182 N/A LYS 40.A N ALA 8.A O no hydrogen 2.812 N/A ASP 45.A N SER 42.A OG no hydrogen 3.338 N/A CYS 46.A N SER 42.A O no hydrogen 3.076 N/A CYS 46.A SG ALA 8.A O no hydrogen 3.954 N/A ILE 47.A N TYR 43.A O no hydrogen 2.805 N/A ARG 48.A N LEU 44.A O no hydrogen 2.868 N/A ALA 49.A N ASP 45.A O no hydrogen 2.845 N/A ILE 50.A N CYS 46.A O no hydrogen 2.906 N/A ALA 51.A N ILE 47.A O no hydrogen 3.035 N/A ALA 52.A N ARG 48.A O no hydrogen 2.847 N/A ASN 53.A N ILE 50.A O no hydrogen 3.073 N/A GLU 54.A N ALA 49.A O no hydrogen 2.884 N/A ASP 56.A N ARG 5.A O no hydrogen 2.772 N/A ALA 57.A N ARG 5.A O no hydrogen 3.065 N/A THR 59.A OG1 LEU 292.A O no hydrogen 3.321 N/A LEU 60.A N THR 248.A O no hydrogen 2.733 N/A LEU 64.A N ASP 61.A O no hydrogen 3.162 N/A VAL 65.A N ASP 61.A O no hydrogen 3.146 N/A TYR 66.A N ALA 62.A O no hydrogen 3.176 N/A ASP 67.A N GLY 63.A O no hydrogen 3.152 N/A ALA 68.A N LEU 64.A O no hydrogen 2.791 N/A TYR 69.A N VAL 65.A O no hydrogen 3.056 N/A TYR 69.A N TYR 66.A O no hydrogen 2.937 N/A LEU 70.A N ASP 67.A O no hydrogen 3.141 N/A ASN 73.A N LEU 70.A O no hydrogen 2.651 N/A ASN 74.A N LEU 70.A O no hydrogen 3.083 N/A LEU 75.A N ALA 68.A O no hydrogen 2.895 N/A LYS 76.A N ALA 251.A O no hydrogen 2.772 N/A LYS 76.A NZ GLU 258.A OE1 no hydrogen 2.795 N/A VAL 78.A N VAL 249.A O no hydrogen 2.970 N/A ALA 80.A N LEU 301.A O no hydrogen 2.811 N/A GLU 81.A N HIS 247.A O no hydrogen 3.113 N/A PHE 82.A N GLY 299.A O no hydrogen 2.872 N/A TYR 83.A N GLN 90.A O no hydrogen 3.116 N/A SER 85.A N TYR 83.A O no hydrogen 2.844 N/A LYS 86.A NZ HIS 298.A O no hydrogen 3.208 N/A GLU 87.A N SER 85.A OG no hydrogen 3.204 N/A GLN 90.A N TYR 83.A O no hydrogen 3.076 N/A TYR 93.A N VAL 244.A O no hydrogen 2.824 N/A TYR 94.A N HIS 205.A ND1 no hydrogen 3.453 N/A ALA 95.A N ALA 242.A O no hydrogen 3.021 N/A VAL 96.A N VAL 203.A O no hydrogen 2.807 N/A VAL 98.A N ALA 201.A O no hydrogen 2.860 N/A VAL 99.A N GLU 222.A O no hydrogen 2.976 N/A LYS 100.A NZ LEU 193.A O no hydrogen 3.293 N/A LYS 101.A N GLN 220.A O no hydrogen 3.048 N/A SER 103.A OG LYS 100.A O no hydrogen 2.666 N/A GLN 106.A N GLN 109.A OE1 no hydrogen 2.638 N/A ASN 108.A N ASN 228.A OD1 no hydrogen 2.872 N/A GLN 109.A N GLN 106.A O no hydrogen 3.045 N/A LEU 110.A N MET 107.A O no hydrogen 3.396 N/A GLY 112.A N PHE 151.A O no hydrogen 2.934 N/A LYS 113.A N LEU 110.A O no hydrogen 2.970 N/A LYS 114.A N ASP 199.A OD1 no hydrogen 2.958 N/A LYS 114.A NZ SER 153.A OG no hydrogen 3.081 N/A LYS 114.A NZ GLN 170.A OE1 no hydrogen 3.285 N/A SER 115.A N GLY 154.A O no hydrogen 3.053 N/A SER 115.A OG HIS 117.A NE2 no hydrogen 2.615 N/A SER 115.A OG SER 155.A OG no hydrogen 2.754 N/A CYS 116.A N VAL 200.A O no hydrogen 2.821 N/A HIS 117.A N CYS 156.A O no hydrogen 2.974 N/A HIS 117.A ND1 GLY 125.A O no hydrogen 3.005 N/A HIS 117.A NE2 SER 115.A OG no hydrogen 2.615 N/A LEU 120.A N PRO 158.A O no hydrogen 2.652 N/A ARG 122.A N GLY 119.A O no hydrogen 3.137 N/A TRP 126.A N ARG 122.A O no hydrogen 2.909 N/A ASN 127.A N ARG 122.A O no hydrogen 2.830 N/A ASN 127.A ND2 GLY 121.A O no hydrogen 3.252 N/A ILE 128.A N SER 123.A O no hydrogen 2.933 N/A ILE 130.A N TRP 126.A O no hydrogen 2.896 N/A GLY 131.A N ASN 127.A O no hydrogen 2.892 N/A LEU 132.A N ILE 128.A O no hydrogen 2.895 N/A LEU 133.A N PRO 129.A O no hydrogen 3.058 N/A LEU 133.A N ILE 130.A O no hydrogen 3.166 N/A TYR 134.A N GLY 131.A O no hydrogen 3.280 N/A ASP 136.A N LEU 133.A O no hydrogen 2.567 N/A LEU 137.A N LEU 133.A O no hydrogen 3.253 N/A LEU 137.A N TYR 134.A O no hydrogen 3.336 N/A ARG 141.A NE TYR 134.A O no hydrogen 3.008 N/A ARG 141.A NE LEU 137.A O no hydrogen 3.122 N/A ARG 141.A NH2 CYS 135.A O no hydrogen 3.052 N/A LYS 146.A N PRO 143.A O no hydrogen 3.147 N/A ALA 147.A N PRO 143.A O no hydrogen 3.322 N/A VAL 148.A N LEU 144.A O no hydrogen 2.877 N/A ALA 149.A N GLU 145.A O no hydrogen 2.916 N/A ASN 150.A N LYS 146.A O no hydrogen 3.083 N/A ASN 150.A N ALA 147.A O no hydrogen 2.831 N/A ASN 150.A ND2 LYS 146.A O no hydrogen 2.774 N/A PHE 151.A N ALA 147.A O no hydrogen 3.053 N/A PHE 151.A N VAL 148.A O no hydrogen 2.889 N/A PHE 152.A N VAL 148.A O no hydrogen 3.181 N/A SER 153.A N LYS 113.A O no hydrogen 2.897 N/A SER 153.A OG LYS 113.A O no hydrogen 3.556 N/A SER 155.A N GLN 167.A O no hydrogen 2.889 N/A SER 155.A OG SER 115.A OG no hydrogen 2.754 N/A CYS 156.A N SER 115.A O no hydrogen 2.948 N/A CYS 159.A N CYS 175.A O no hydrogen 3.093 N/A ALA 160.A N ALA 157.A O no hydrogen 2.950 N/A ASP 161.A N GLU 145.A OE1 no hydrogen 2.822 N/A ASP 164.A N ASP 161.A OD1 no hydrogen 2.943 N/A PHE 165.A N ASP 161.A O no hydrogen 2.968 N/A GLN 167.A N GLN 167.A OE1 no hydrogen 2.816 N/A GLN 167.A NE2 ALA 149.A O no hydrogen 3.578 N/A LEU 168.A N PHE 165.A O no hydrogen 3.055 N/A CYS 169.A N PRO 166.A O no hydrogen 2.788 N/A GLN 170.A N GLN 167.A O no hydrogen 3.359 N/A LEU 171.A N SER 155.A O no hydrogen 2.701 N/A CYS 172.A N CYS 169.A O no hydrogen 2.789 N/A CYS 175.A N CYS 172.A O no hydrogen 2.816 N/A CYS 175.A SG ALA 157.A O no hydrogen 3.360 N/A LEU 180.A N SER 178.A OG no hydrogen 2.983 N/A ASN 181.A N SER 178.A O no hydrogen 2.789 N/A ASN 181.A ND2 GLY 176.A O no hydrogen 2.923 N/A TYR 183.A N ASN 181.A OD1 no hydrogen 3.179 N/A TYR 183.A OH ASP 195.A OD2 no hydrogen 2.627 N/A PHE 184.A N ASN 181.A O no hydrogen 2.859 N/A GLY 185.A N THR 118.A O no hydrogen 2.955 N/A ALA 189.A N GLY 185.A O no hydrogen 3.075 N/A PHE 190.A N TYR 186.A O no hydrogen 3.080 N/A LYS 191.A N SER 187.A O no hydrogen 2.751 N/A LYS 191.A NZ ASP 195.A OD1 no hydrogen 3.280 N/A LYS 191.A NZ ASP 195.A OD2 no hydrogen 3.088 N/A CYS 192.A N GLY 188.A O no hydrogen 2.919 N/A LEU 193.A N ALA 189.A O no hydrogen 3.038 N/A LYS 194.A N PHE 190.A O no hydrogen 2.897 N/A ASP 195.A N LYS 191.A O no hydrogen 2.860 N/A GLY 196.A N LEU 193.A O no hydrogen 3.010 N/A GLY 198.A N CYS 192.A O no hydrogen 3.238 N/A ASP 199.A N LYS 114.A O no hydrogen 2.673 N/A VAL 200.A N LYS 114.A O no hydrogen 3.273 N/A ALA 201.A N VAL 98.A O no hydrogen 2.881 N/A PHE 202.A N CYS 116.A O no hydrogen 2.925 N/A VAL 203.A N VAL 96.A O no hydrogen 3.126 N/A LYS 204.A N THR 207.A OG1 no hydrogen 3.187 N/A HIS 205.A N TYR 94.A O no hydrogen 2.978 N/A THR 207.A N LYS 204.A O no hydrogen 2.937 N/A THR 207.A OG1 LYS 204.A O no hydrogen 3.015 N/A GLU 210.A N SER 206.A O no hydrogen 2.941 N/A ASN 211.A N THR 207.A O no hydrogen 2.948 N/A ASN 211.A ND2 THR 207.A O no hydrogen 3.027 N/A LEU 212.A N ILE 208.A O no hydrogen 3.249 N/A ARG 218.A NE LYS 215.A O no hydrogen 2.848 N/A ARG 218.A NH1 ASP 234.A OD2 no hydrogen 2.930 N/A GLN 220.A N ASP 217.A O no hydrogen 3.236 N/A TYR 221.A N ARG 218.A O no hydrogen 3.159 N/A GLU 222.A N VAL 99.A O no hydrogen 2.931 N/A LEU 223.A N LYS 231.A O no hydrogen 2.788 N/A LEU 224.A N ALA 97.A O no hydrogen 2.867 N/A CYS 225.A N THR 229.A O no hydrogen 2.886 N/A ASN 228.A N CYS 225.A O no hydrogen 2.885 N/A THR 229.A N ASP 227.A OD1 no hydrogen 2.939 N/A THR 229.A OG1 ASP 227.A OD1 no hydrogen 2.934 N/A ARG 230.A NE PHE 105.A O no hydrogen 3.012 N/A ARG 230.A NH1 LYS 100.A O no hydrogen 2.913 N/A ARG 230.A NH1 SER 103.A OG no hydrogen 3.175 N/A ARG 230.A NH1 GLU 222.A OE1 no hydrogen 3.400 N/A ARG 230.A NH2 SER 103.A OG no hydrogen 3.120 N/A ARG 230.A NH2 PHE 105.A O no hydrogen 2.802 N/A LYS 231.A N LEU 223.A O no hydrogen 3.082 N/A GLU 235.A N PRO 232.A O no hydrogen 3.015 N/A ASP 238.A N GLU 235.A O no hydrogen 2.764 N/A CYS 239.A N GLU 235.A O no hydrogen 2.942 N/A CYS 239.A SG LEU 223.A O no hydrogen 3.398 N/A HIS 240.A ND1 TYR 236.A O no hydrogen 2.984 N/A LEU 241.A N ALA 95.A O no hydrogen 2.711 N/A ALA 242.A N ALA 95.A O no hydrogen 3.438 N/A GLN 243.A NE2 ARG 673.A O no hydrogen 2.986 N/A VAL 244.A N TYR 93.A O no hydrogen 2.853 N/A SER 246.A N THR 91.A O no hydrogen 2.988 N/A SER 246.A OG THR 91.A O no hydrogen 3.464 N/A HIS 247.A ND1 GLU 81.A OE2 no hydrogen 2.932 N/A THR 248.A N LEU 60.A O no hydrogen 2.929 N/A VAL 249.A N VAL 79.A O no hydrogen 2.812 N/A VAL 250.A N VAL 58.A O no hydrogen 3.018 N/A ALA 251.A N LYS 76.A O no hydrogen 2.944 N/A ARG 252.A NE GLY 255.A O no hydrogen 3.313 N/A ARG 252.A NH1 ILE 50.A O no hydrogen 2.857 N/A ARG 252.A NH1 ALA 55.A O no hydrogen 2.787 N/A ARG 252.A NH1 ASP 56.A OD1 no hydrogen 3.440 N/A ARG 252.A NH2 ASP 56.A OD1 no hydrogen 2.856 N/A ARG 252.A NH2 GLY 255.A O no hydrogen 3.066 N/A SER 253.A N ASN 74.A O no hydrogen 3.397 N/A SER 253.A OG ASN 74.A O no hydrogen 3.028 N/A LYS 257.A NZ THR 3.A O no hydrogen 3.012 N/A LYS 257.A NZ ASP 56.A OD2 no hydrogen 2.941 N/A ILE 261.A N LYS 257.A O no hydrogen 3.073 N/A TRP 262.A N GLU 258.A O no hydrogen 2.957 N/A GLU 263.A N ASP 259.A O no hydrogen 2.775 N/A LEU 264.A N LEU 260.A O no hydrogen 2.865 N/A LEU 265.A N ILE 261.A O no hydrogen 2.821 N/A ASN 266.A N TRP 262.A O no hydrogen 2.938 N/A GLN 267.A N GLU 263.A O no hydrogen 3.012 N/A ALA 268.A N LEU 264.A O no hydrogen 2.902 N/A GLN 269.A N LEU 265.A O no hydrogen 2.874 N/A GLN 269.A NE2 ASN 266.A OD1 no hydrogen 2.941 N/A GLN 269.A NE2 PHE 300.A O no hydrogen 3.208 N/A GLU 270.A N ASN 266.A O no hydrogen 3.177 N/A HIS 271.A N GLN 267.A O no hydrogen 3.188 N/A HIS 271.A ND1 GLN 267.A O no hydrogen 2.890 N/A PHE 272.A N ALA 268.A O no hydrogen 2.651 N/A GLY 273.A N GLN 269.A O no hydrogen 2.967 N/A LYS 274.A NZ ALA 297.A O no hydrogen 3.441 N/A LYS 276.A N GLY 273.A O no hydrogen 3.028 N/A LYS 276.A NZ GLU 270.A OE2 no hydrogen 3.519 N/A GLU 279.A N SER 277.A OG no hydrogen 2.938 N/A GLN 281.A NE2 SER 277.A O no hydrogen 3.253 N/A GLN 281.A NE2 LYS 278.A O no hydrogen 3.193 N/A LEU 282.A N PHE 272.A O no hydrogen 3.091 N/A HIS 287.A N SER 285.A OG no hydrogen 3.233 N/A LYS 289.A NZ ASP 290.A OD1 no hydrogen 3.353 N/A LYS 289.A NZ ASP 290.A OD2 no hydrogen 2.547 N/A ASP 290.A N ASP 295.A OD1 no hydrogen 3.274 N/A ASP 290.A N ASP 295.A OD2 no hydrogen 3.142 N/A LEU 292.A N GLU 13.A OE2 no hydrogen 2.759 N/A LYS 294.A N GLU 81.A OE1 no hydrogen 3.278 N/A LYS 294.A N GLU 81.A OE2 no hydrogen 2.983 N/A LYS 294.A NZ ASP 61.A OD1 no hydrogen 3.271 N/A ASP 295.A N ASP 290.A OD1 no hydrogen 2.650 N/A ALA 297.A N LYS 294.A O no hydrogen 2.956 N/A HIS 298.A N PHE 82.A O no hydrogen 2.836 N/A PHE 300.A N GLN 269.A OE1 no hydrogen 2.836 N/A LEU 301.A N ALA 80.A O no hydrogen 2.784 N/A LYS 302.A NZ GLU 258.A O no hydrogen 3.518 N/A VAL 303.A N VAL 78.A O no hydrogen 2.665 N/A ARG 306.A NH1 ARG 306.A O no hydrogen 3.185 N/A ARG 306.A NH2 ASP 372.A OD1 no hydrogen 3.421 N/A MET 307.A N PRO 304.A O no hydrogen 3.135 N/A LYS 310.A N ASP 308.A OD1 no hydrogen 2.784 N/A MET 311.A N ASP 308.A OD1 no hydrogen 3.471 N/A TYR 312.A N ASP 308.A O no hydrogen 2.955 N/A LEU 313.A N ALA 309.A O no hydrogen 3.008 N/A GLY 314.A N LYS 310.A O no hydrogen 3.022 N/A GLU 316.A N GLU 316.A OE1 no hydrogen 2.648 N/A VAL 318.A N GLY 314.A O no hydrogen 3.126 N/A THR 319.A N TYR 315.A O no hydrogen 2.933 N/A THR 319.A OG1 TYR 315.A O no hydrogen 2.651 N/A ALA 320.A N GLU 316.A O no hydrogen 3.037 N/A ILE 321.A N TYR 317.A O no hydrogen 2.941 N/A ARG 322.A N VAL 318.A O no hydrogen 2.894 N/A ARG 322.A NE GLU 326.A OE1 no hydrogen 2.813 N/A ARG 322.A NH2 GLU 326.A OE1 no hydrogen 3.550 N/A ASN 323.A N THR 319.A O no hydrogen 3.012 N/A ASN 323.A ND2 GLY 131.A O no hydrogen 2.913 N/A LEU 324.A N ALA 320.A O no hydrogen 3.124 N/A ARG 325.A N ILE 321.A O no hydrogen 2.812 N/A ARG 325.A NE ASP 67.A OD1 no hydrogen 2.890 N/A ARG 325.A NH2 ASP 67.A OD1 no hydrogen 3.048 N/A GLU 326.A N ARG 322.A O no hydrogen 2.816 N/A THR 332.A OG1 ASP 333.A OD1 no hydrogen 2.849 N/A VAL 338.A N LYS 361.A O no hydrogen 3.223 N/A LYS 339.A N ASP 383.A OD2 no hydrogen 2.834 N/A TRP 340.A N GLU 363.A O no hydrogen 2.670 N/A CYS 341.A N ALA 384.A O no hydrogen 3.057 N/A CYS 341.A SG VAL 365.A O no hydrogen 3.701 N/A ALA 342.A N VAL 365.A O no hydrogen 2.482 N/A LEU 343.A N GLU 347.A OE1 no hydrogen 2.931 N/A SER 344.A N ALA 367.A O no hydrogen 2.891 N/A SER 344.A OG HIS 345.A ND1.A no hydrogen 2.967 N/A SER 344.A OG GLU 368.A OE1 no hydrogen 2.645 N/A GLU 347.A N LEU 343.A O no hydrogen 3.402 N/A ARG 348.A N SER 344.A O no hydrogen 3.161 N/A ARG 348.A NE ASP 352.A OD1 no hydrogen 3.193 N/A ARG 348.A NH1 SER 366.A OG no hydrogen 2.818 N/A LEU 349.A N HIS 345.A O.A no hydrogen 2.868 N/A LEU 349.A N HIS 345.A O.B no hydrogen 2.818 N/A LYS 350.A NZ LEU 617.A O no hydrogen 2.953 N/A LYS 350.A NZ ARG 619.A O no hydrogen 2.838 N/A LYS 350.A NZ LEU 625.A O no hydrogen 2.758 N/A CYS 351.A N GLU 347.A O no hydrogen 2.972 N/A ASP 352.A N ARG 348.A O no hydrogen 3.000 N/A GLU 353.A N LEU 349.A O no hydrogen 3.327 N/A TRP 354.A N LYS 350.A O no hydrogen 2.941 N/A TRP 354.A NE1 GLN 600.A OE1 no hydrogen 3.026 N/A SER 355.A N CYS 351.A O no hydrogen 2.932 N/A SER 355.A OG ILE 362.A O no hydrogen 3.106 N/A VAL 356.A N ASP 352.A O no hydrogen 2.995 N/A ASN 357.A N GLU 353.A O no hydrogen 3.161 N/A ASN 357.A ND2 GLU 353.A O no hydrogen 2.618 N/A SER 358.A N TRP 354.A O no hydrogen 2.928 N/A SER 358.A N SER 355.A O no hydrogen 3.206 N/A SER 358.A OG TRP 354.A O no hydrogen 3.526 N/A SER 358.A OG SER 355.A O no hydrogen 2.995 N/A VAL 359.A N VAL 356.A O no hydrogen 3.368 N/A GLY 360.A N SER 355.A O no hydrogen 3.413 N/A LYS 361.A N SER 358.A O no hydrogen 3.252 N/A ILE 362.A N SER 358.A OG no hydrogen 3.066 N/A GLU 363.A N VAL 338.A O no hydrogen 2.762 N/A VAL 365.A N TRP 340.A O no hydrogen 2.799 N/A ALA 367.A N ALA 342.A O no hydrogen 2.919 N/A ASP 372.A N THR 369.A OG1 no hydrogen 2.972 N/A CYS 373.A N THR 369.A O no hydrogen 2.972 N/A CYS 373.A SG ALA 342.A O no hydrogen 3.615 N/A ILE 374.A N THR 370.A O no hydrogen 2.824 N/A ALA 375.A N GLU 371.A O no hydrogen 2.963 N/A LYS 376.A N ASP 372.A O no hydrogen 3.083 N/A LYS 376.A NZ SER 366.A O no hydrogen 3.140 N/A ILE 377.A N CYS 373.A O no hydrogen 3.007 N/A MET 378.A N ILE 374.A O no hydrogen 2.955 N/A ASN 379.A N ALA 375.A O no hydrogen 2.896 N/A GLY 380.A N ILE 377.A O no hydrogen 3.380 N/A ALA 382.A N LYS 376.A O no hydrogen 3.031 N/A ASP 383.A N LYS 339.A O no hydrogen 2.628 N/A ALA 384.A N LYS 339.A O no hydrogen 3.190 N/A SER 386.A OG GLU 406.A OE2 no hydrogen 2.709 N/A LEU 387.A N ALA 582.A O no hydrogen 2.806 N/A GLY 390.A N ASP 388.A OD2 no hydrogen 2.998 N/A PHE 391.A N ASP 388.A O no hydrogen 2.539 N/A VAL 392.A N ASP 388.A O no hydrogen 2.939 N/A TYR 393.A N GLY 389.A O no hydrogen 2.969 N/A ILE 394.A N GLY 390.A O no hydrogen 3.263 N/A ALA 395.A N PHE 391.A O no hydrogen 2.760 N/A GLY 396.A N VAL 392.A O no hydrogen 3.024 N/A LYS 397.A N TYR 393.A O no hydrogen 3.144 N/A LYS 397.A NZ TYR 643.A OH no hydrogen 2.851 N/A CYS 398.A N ILE 394.A O no hydrogen 2.914 N/A CYS 398.A SG ILE 394.A O no hydrogen 3.346 N/A CYS 398.A SG LEU 666.A O no hydrogen 4.014 N/A GLY 399.A N GLY 396.A O no hydrogen 2.954 N/A LEU 400.A N ALA 395.A O no hydrogen 2.802 N/A VAL 401.A N THR 585.A O no hydrogen 2.827 N/A VAL 403.A N VAL 583.A O no hydrogen 2.979 N/A ALA 405.A N ALA 635.A O no hydrogen 3.010 N/A GLU 406.A N HIS 581.A O no hydrogen 2.737 N/A ASN 407.A N CYS 633.A O no hydrogen 2.816 N/A ASN 407.A ND2 CYS 414.A O no hydrogen 2.929 N/A ASN 407.A ND2 THR 417.A O no hydrogen 2.922 N/A TYR 408.A N GLU 419.A OE1 no hydrogen 2.871 N/A TYR 408.A OH GLU 406.A OE1 no hydrogen 2.759 N/A ASP 409.A N GLU 419.A OE2 no hydrogen 2.823 N/A ASN 413.A N SER 411.A OG no hydrogen 3.107 N/A ASP 416.A N ASN 413.A O no hydrogen 3.003 N/A THR 417.A N CYS 414.A O no hydrogen 3.174 N/A THR 417.A OG1 ASN 413.A O no hydrogen 2.863 N/A PHE 423.A N HIS 531.A ND1 no hydrogen 3.020 N/A ALA 424.A N ALA 576.A O no hydrogen 2.892 N/A VAL 425.A N VAL 529.A O no hydrogen 2.948 N/A VAL 427.A N ALA 527.A O no hydrogen 2.897 N/A VAL 428.A N GLU 556.A O no hydrogen 3.024 N/A LYS 429.A NZ GLY 524.A O no hydrogen 3.415 N/A LYS 430.A N ASP 554.A O no hydrogen 2.812 N/A LYS 430.A NZ GLU 556.A OE2 no hydrogen 3.065 N/A ALA 432.A N LYS 429.A O no hydrogen 3.203 N/A THR 436.A OG1 GLY 562.A O no hydrogen 3.184 N/A ASP 438.A N THR 436.A OG1 no hydrogen 3.085 N/A GLY 442.A N PHE 475.A O no hydrogen 2.922 N/A LYS 443.A N LEU 440.A O no hydrogen 2.903 N/A LYS 444.A N ASP 525.A OD2 no hydrogen 2.987 N/A SER 445.A N GLU 478.A O no hydrogen 2.971 N/A SER 445.A OG HIS 447.A NE2 no hydrogen 2.935 N/A CYS 446.A N VAL 526.A O no hydrogen 2.902 N/A HIS 447.A N CYS 480.A O no hydrogen 2.846 N/A HIS 447.A ND1 GLY 455.A O no hydrogen 2.831 N/A HIS 447.A NE2 SER 445.A OG no hydrogen 2.935 N/A VAL 450.A N PRO 482.A O no hydrogen 2.741 N/A ARG 452.A N ALA 449.A O no hydrogen 3.405 N/A THR 453.A N ASP 388.A OD2 no hydrogen 2.665 N/A THR 453.A OG1 ASP 388.A OD1 no hydrogen 3.564 N/A THR 453.A OG1 ASP 388.A OD2 no hydrogen 3.052 N/A THR 453.A OG1 TYR 651.A OH no hydrogen 2.815 N/A TRP 456.A N ARG 452.A O no hydrogen 2.754 N/A ASN 457.A N ARG 452.A O no hydrogen 2.769 N/A ASN 457.A ND2 TYR 651.A OH no hydrogen 3.156 N/A ILE 458.A N THR 453.A O no hydrogen 2.954 N/A MET 460.A N TRP 456.A O no hydrogen 2.825 N/A GLY 461.A N ASN 457.A O no hydrogen 2.929 N/A LEU 462.A N ILE 458.A O no hydrogen 3.144 N/A LEU 463.A N PRO 459.A O no hydrogen 2.949 N/A TYR 464.A N MET 460.A O no hydrogen 2.699 N/A ASN 465.A N GLY 461.A O no hydrogen 2.982 N/A LYS 466.A N LEU 462.A O no hydrogen 3.051 N/A ILE 467.A N LEU 463.A O no hydrogen 2.790 N/A ASN 468.A N TYR 464.A O no hydrogen 2.524 N/A ARG 471.A N HIS 469.A ND1 no hydrogen 3.044 N/A ARG 471.A NH1 GLU 474.A OE1 no hydrogen 3.430 N/A ASP 473.A N ASP 473.A OD1 no hydrogen 2.475 N/A PHE 476.A N PHE 472.A O no hydrogen 3.002 N/A SER 477.A N LYS 443.A O no hydrogen 3.166 N/A SER 477.A OG GLY 442.A O no hydrogen 2.853 N/A SER 477.A OG LYS 443.A O no hydrogen 3.400 N/A GLY 479.A N SER 489.A O no hydrogen 3.093 N/A CYS 480.A N SER 445.A O no hydrogen 2.819 N/A ALA 481.A N LEU 490.A O no hydrogen 2.672 N/A GLY 483.A N CYS 502.A O no hydrogen 2.643 N/A SER 484.A N ALA 481.A O no hydrogen 2.972 N/A SER 484.A OG ALA 481.A O no hydrogen 2.877 N/A LYS 486.A NZ LEU 499.A O no hydrogen 3.299 N/A LYS 486.A NZ LEU 501.A O no hydrogen 2.971 N/A LYS 486.A NZ GLU 503.A OE1 no hydrogen 2.781 N/A SER 488.A N LYS 485.A O no hydrogen 2.845 N/A SER 489.A OG ASP 473.A O no hydrogen 3.066 N/A LEU 490.A N SER 488.A OG no hydrogen 3.010 N/A CYS 491.A N SER 488.A O no hydrogen 3.297 N/A CYS 491.A SG SER 484.A O no hydrogen 3.538 N/A CYS 491.A SG LYS 485.A O no hydrogen 3.319 N/A LYS 492.A N SER 489.A O no hydrogen 3.392 N/A LEU 493.A N GLY 479.A O no hydrogen 3.116 N/A CYS 494.A N CYS 491.A O no hydrogen 3.382 N/A CYS 494.A SG LEU 490.A O no hydrogen 3.957 N/A MET 495.A N GLU 508.A OE2 no hydrogen 2.669 N/A GLY 496.A N GLU 508.A OE1 no hydrogen 2.654 N/A ASN 500.A N SER 497.A O no hydrogen 2.814 N/A LEU 501.A N GLY 498.A O no hydrogen 3.307 N/A CYS 502.A N GLU 508.A OE1 no hydrogen 2.840 N/A CYS 502.A SG ALA 481.A O no hydrogen 3.543 N/A CYS 502.A SG SER 484.A O no hydrogen 3.797 N/A GLU 503.A N ASN 500.A O no hydrogen 2.847 N/A ASN 505.A ND2 GLU 368.A O no hydrogen 2.873 N/A LYS 507.A N ASN 505.A OD1 no hydrogen 2.940 N/A LYS 507.A NZ ASN 500.A OD1 no hydrogen 3.362 N/A GLU 508.A N ASN 505.A O no hydrogen 3.067 N/A TYR 510.A N GLU 508.A OE2 no hydrogen 3.116 N/A TYR 510.A OH GLU 522.A OE1 no hydrogen 2.618 N/A TYR 511.A N GLU 508.A O no hydrogen 3.087 N/A GLY 512.A N THR 448.A O no hydrogen 2.696 N/A TYR 513.A OH HIS 581.A NE2 no hydrogen 2.775 N/A ALA 516.A N GLY 512.A O no hydrogen 2.812 N/A PHE 517.A N TYR 513.A O no hydrogen 3.122 N/A ARG 518.A N THR 514.A O no hydrogen 2.926 N/A ARG 518.A NE GLU 522.A OE1 no hydrogen 3.181 N/A ARG 518.A NE GLU 522.A OE2 no hydrogen 3.514 N/A CYS 519.A N GLY 515.A O no hydrogen 3.077 N/A LEU 520.A N ALA 516.A O no hydrogen 3.039 N/A VAL 521.A N PHE 517.A O no hydrogen 2.958 N/A GLU 522.A N ARG 518.A O no hydrogen 2.770 N/A LYS 523.A N CYS 519.A O no hydrogen 2.618 N/A LYS 523.A NZ LEU 493.A O no hydrogen 2.555 N/A GLY 524.A N CYS 519.A O no hydrogen 2.756 N/A ASP 525.A N LYS 444.A O no hydrogen 2.760 N/A VAL 526.A N LYS 444.A O no hydrogen 3.132 N/A ALA 527.A N VAL 427.A O no hydrogen 2.877 N/A PHE 528.A N CYS 446.A O no hydrogen 2.735 N/A VAL 529.A N VAL 425.A O no hydrogen 3.335 N/A LYS 530.A NZ ASP 630.A OD1 no hydrogen 3.476 N/A LYS 530.A NZ ASP 630.A OD2 no hydrogen 2.939 N/A GLN 532.A N GLN 532.A OE1 no hydrogen 2.902 N/A THR 533.A N LYS 530.A O no hydrogen 3.157 N/A THR 533.A OG1 LYS 530.A O no hydrogen 3.336 N/A GLN 536.A N GLN 532.A O no hydrogen 3.020 N/A GLN 536.A NE2 ASP 630.A OD2 no hydrogen 2.720 N/A ASN 537.A N THR 533.A O no hydrogen 2.997 N/A ASN 537.A ND2 THR 514.A OG1 no hydrogen 2.874 N/A ASN 537.A ND2 THR 533.A O no hydrogen 3.150 N/A THR 538.A OG1 VAL 534.A O no hydrogen 2.531 N/A GLY 539.A N LEU 550.A O no hydrogen 2.877 N/A LYS 541.A N THR 538.A O no hydrogen 3.053 N/A LYS 541.A NZ PRO 535.A O no hydrogen 3.337 N/A ASN 542.A ND2 ASN 537.A OD1 no hydrogen 2.789 N/A ASP 544.A N ASN 542.A OD1 no hydrogen 2.951 N/A LEU 550.A N ALA 547.A O no hydrogen 3.150 N/A ASP 554.A N ASN 551.A O no hydrogen 3.139 N/A TYR 555.A N GLU 552.A O no hydrogen 3.260 N/A GLU 556.A N VAL 428.A O no hydrogen 3.056 N/A LEU 557.A N LYS 565.A O no hydrogen 2.761 N/A LEU 558.A N ALA 426.A O no hydrogen 2.760 N/A CYS 559.A N THR 563.A O no hydrogen 2.749 N/A CYS 559.A SG THR 563.A OG1 no hydrogen 3.749 N/A GLY 562.A N CYS 559.A O no hydrogen 3.153 N/A THR 563.A N ASP 561.A OD2 no hydrogen 3.270 N/A THR 563.A OG1 ASP 561.A OD1 no hydrogen 3.521 N/A THR 563.A OG1 ASP 561.A OD2 no hydrogen 2.844 N/A ARG 564.A NE GLU 556.A OE1 no hydrogen 3.067 N/A ARG 564.A NH1 ALA 432.A O no hydrogen 3.184 N/A ARG 564.A NH2 LYS 429.A O no hydrogen 3.159 N/A ARG 564.A NH2 ALA 432.A O no hydrogen 2.823 N/A ARG 564.A NH2 GLU 556.A OE1 no hydrogen 3.236 N/A LYS 565.A N LEU 557.A O no hydrogen 3.157 N/A GLU 569.A N PRO 566.A O no hydrogen 2.849 N/A ASN 572.A N GLU 569.A O no hydrogen 2.641 N/A CYS 573.A N GLU 569.A O no hydrogen 2.957 N/A CYS 573.A SG LEU 557.A O no hydrogen 3.209 N/A HIS 574.A ND1 TYR 570.A O no hydrogen 3.181 N/A LEU 575.A N ALA 424.A O no hydrogen 2.698 N/A ARG 577.A NE GLY 421.A O no hydrogen 3.024 N/A ARG 577.A NH2 GLY 421.A O no hydrogen 3.073 N/A ALA 578.A N TYR 422.A O no hydrogen 2.627 N/A ASN 580.A ND2 GLU 406.A O no hydrogen 2.755 N/A ASN 580.A ND2 ASN 407.A OD1 no hydrogen 3.543 N/A ASN 580.A ND2 GLU 419.A OE1 no hydrogen 2.783 N/A HIS 581.A N TYR 408.A OH no hydrogen 2.879 N/A HIS 581.A NE2 ASP 388.A OD1 no hydrogen 2.671 N/A ALA 582.A N LEU 387.A O no hydrogen 3.096 N/A VAL 583.A N LEU 404.A O no hydrogen 2.855 N/A VAL 584.A N MET 385.A O no hydrogen 2.898 N/A THR 585.A N VAL 401.A O no hydrogen 2.937 N/A ARG 586.A NE ASP 588.A OD1 no hydrogen 2.957 N/A ARG 586.A NH1 ILE 377.A O no hydrogen 3.009 N/A ARG 586.A NH1 ALA 382.A O no hydrogen 2.883 N/A ARG 586.A NH1 ASP 383.A OD1 no hydrogen 3.302 N/A ARG 586.A NH2 ASP 383.A OD1 no hydrogen 3.196 N/A ARG 586.A NH2 ASP 588.A OD2 no hydrogen 3.266 N/A LYS 587.A NZ GLU 590.A OE1 no hydrogen 3.247 N/A LYS 587.A NZ GLU 590.A OE2 no hydrogen 2.321 N/A LYS 589.A N ARG 586.A O no hydrogen 2.897 N/A LYS 589.A NZ PRO 337.A O no hydrogen 3.511 N/A LYS 589.A NZ ASP 383.A OD2 no hydrogen 3.148 N/A GLU 590.A N LYS 587.A O no hydrogen 3.331 N/A VAL 593.A N LYS 589.A O no hydrogen 2.927 N/A HIS 594.A N GLU 590.A O no hydrogen 3.150 N/A LYS 595.A N ALA 591.A O no hydrogen 3.139 N/A ILE 596.A N CYS 592.A O no hydrogen 2.909 N/A LEU 597.A N VAL 593.A O no hydrogen 3.035 N/A ARG 598.A N HIS 594.A O no hydrogen 3.302 N/A GLN 599.A N LYS 595.A O no hydrogen 3.324 N/A GLN 600.A N ILE 596.A O no hydrogen 2.866 N/A GLN 601.A N LEU 597.A O no hydrogen 2.926 N/A GLN 601.A NE2 LEU 634.A O no hydrogen 3.277 N/A HIS 602.A N ARG 598.A O no hydrogen 3.241 N/A HIS 602.A NE2 GLU 415.A OE1 no hydrogen 2.898 N/A LEU 603.A N GLN 599.A O no hydrogen 3.176 N/A PHE 604.A N GLN 600.A O no hydrogen 2.885 N/A GLY 605.A N GLN 601.A O no hydrogen 2.815 N/A SER 606.A OG VAL 632.A O no hydrogen 2.406 N/A VAL 608.A N GLY 605.A O no hydrogen 2.828 N/A CYS 611.A SG VAL 608.A O no hydrogen 3.886 N/A SER 612.A N ASP 610.A OD1 no hydrogen 3.282 N/A SER 612.A OG ASP 610.A OD1 no hydrogen 2.679 N/A SER 612.A OG ASP 610.A OD2 no hydrogen 3.459 N/A LEU 617.A N PHE 604.A O no hydrogen 3.136 N/A ARG 619.A N CYS 616.A O no hydrogen 3.377 N/A SER 620.A OG ASP 629.A OD1 no hydrogen 3.467 N/A SER 620.A OG ASP 629.A OD2 no hydrogen 2.695 N/A THR 622.A OG1 GLU 621.A O no hydrogen 2.286 N/A ASP 624.A N ASP 629.A OD1 no hydrogen 2.997 N/A LEU 625.A N SER 620.A OG no hydrogen 2.892 N/A LEU 626.A N GLU 347.A OE2 no hydrogen 2.897 N/A ARG 628.A N GLU 406.A OE1 no hydrogen 3.257 N/A ARG 628.A N GLU 406.A OE2 no hydrogen 3.430 N/A ARG 628.A NE ASP 630.A OD1 no hydrogen 3.003 N/A ARG 628.A NH2 ASP 630.A OD1 no hydrogen 3.479 N/A ARG 628.A NH2 ASP 630.A OD2 no hydrogen 3.224 N/A ASP 629.A N ASP 624.A OD2 no hydrogen 2.969 N/A THR 631.A N ARG 628.A O no hydrogen 2.978 N/A THR 631.A OG1 GLU 406.A OE1 no hydrogen 3.057 N/A THR 631.A OG1 ARG 628.A O no hydrogen 2.758 N/A VAL 632.A N ASN 407.A O no hydrogen 2.669 N/A CYS 633.A N ASN 407.A O no hydrogen 3.437 N/A LEU 634.A N GLN 601.A OE1 no hydrogen 2.693 N/A ALA 635.A N ALA 405.A O no hydrogen 2.700 N/A LYS 636.A N GLU 415.A O no hydrogen 3.093 N/A LYS 636.A NZ ASP 416.A OD1 no hydrogen 3.248 N/A ASP 639.A N ASP 639.A OD1 no hydrogen 2.141 N/A ARG 640.A N LEU 637.A O no hydrogen 3.393 N/A LYS 645.A N THR 642.A OG1 no hydrogen 3.352 N/A TYR 646.A N THR 642.A O no hydrogen 2.837 N/A TYR 646.A OH ASN 580.A O no hydrogen 2.544 N/A LEU 647.A N TYR 643.A O no hydrogen 3.002 N/A GLY 648.A N GLU 644.A O no hydrogen 3.347 N/A VAL 652.A N GLY 648.A O no hydrogen 3.342 N/A LYS 653.A N GLU 649.A O no hydrogen 3.095 N/A LYS 653.A N GLU 650.A O no hydrogen 3.233 N/A ALA 654.A N GLU 650.A O no hydrogen 3.143 N/A VAL 655.A N TYR 651.A O no hydrogen 2.991 N/A GLY 656.A N VAL 652.A O no hydrogen 3.210 N/A ASN 657.A N LYS 653.A O no hydrogen 2.792 N/A ASN 657.A ND2 ASN 465.A OD1 no hydrogen 3.212 N/A LEU 658.A N VAL 655.A O no hydrogen 3.089 N/A ARG 659.A N GLY 656.A O no hydrogen 3.061 N/A CYS 661.A N LEU 658.A O no hydrogen 2.843 N/A SER 662.A N ARG 659.A O no hydrogen 3.213 N/A SER 664.A N SER 662.A OG no hydrogen 3.100 N/A SER 664.A OG GLU 371.A OE2 no hydrogen 2.653 N/A LEU 667.A N SER 664.A OG no hydrogen 3.005 N/A GLU 668.A N SER 664.A O no hydrogen 3.409 N/A ALA 669.A N SER 665.A O no hydrogen 2.950 N/A CYS 670.A N LEU 666.A O no hydrogen 2.927 N/A CYS 670.A SG LEU 666.A O no hydrogen 3.303 N/A THR 671.A N LEU 667.A O no hydrogen 2.962 N/A THR 671.A OG1 LEU 667.A O no hydrogen 3.105 N/A THR 671.A OG1 GLU 668.A O no hydrogen 3.167 N/A PHE 672.A N GLU 668.A O no hydrogen 3.220 N/A PHE 672.A N ALA 669.A O no hydrogen 3.162 N/A ARG 673.A N ALA 669.A O no hydrogen 3.279 N/A ARG 673.A NE TYR 312.A O no hydrogen 2.975 N/A ARG 674.A N CYS 670.A O no hydrogen 2.859 N/A ARG 674.A NH1 ASP 238.A OD1 no hydrogen 3.194 N/A ARG 674.A NH2 ASP 238.A OD1 no hydrogen 2.944 N/A ARG 674.A NH2 ASP 238.A OD2 no hydrogen 3.291 N/A