Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7mx7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N GLU 269.A OE2 no hydrogen 3.039 N/A VAL 2.A N GLU 269.A OE2 no hydrogen 3.296 N/A SER 4.A N ASP 27.A OD2 no hydrogen 3.190 N/A SER 4.A OG VAL 2.A O no hydrogen 3.370 N/A GLY 5.A N PHE 252.A O no hydrogen 2.806 N/A ARG 6.A N PHE 28.A O no hydrogen 3.065 N/A ARG 6.A NH1 ILE 254.A O no hydrogen 2.915 N/A ARG 6.A NH1 GLY 256.A O no hydrogen 3.225 N/A ARG 6.A NH2 GLY 256.A O no hydrogen 2.817 N/A ASP 7.A N ILE 254.A O no hydrogen 2.873 N/A LEU 8.A N CYS 30.A O no hydrogen 2.903 N/A THR 17.A N GLU 13.A O no hydrogen 2.929 N/A THR 17.A OG1 GLU 13.A O no hydrogen 2.753 N/A LEU 18.A N ILE 14.A O no hydrogen 2.998 N/A GLY 19.A N ALA 15.A O no hydrogen 3.010 N/A ALA 20.A N ASP 16.A O no hydrogen 2.876 N/A VAL 21.A N THR 17.A O no hydrogen 2.864 N/A ALA 22.A N LEU 18.A O no hydrogen 2.947 N/A LYS 23.A N GLY 19.A O no hydrogen 2.981 N/A GLN 24.A N ALA 20.A O no hydrogen 2.878 N/A GLY 25.A N VAL 21.A O no hydrogen 3.225 N/A GLY 25.A N ALA 22.A O no hydrogen 2.940 N/A PHE 26.A N VAL 21.A O no hydrogen 3.213 N/A ASP 27.A N SER 4.A O no hydrogen 2.848 N/A LEU 29.A N LEU 69.A O no hydrogen 2.712 N/A CYS 30.A N ARG 6.A O no hydrogen 2.850 N/A CYS 30.A SG ARG 6.A O no hydrogen 3.954 N/A MET 31.A N VAL 71.A O no hydrogen 2.973 N/A ARG 37.A N HIS 35.A ND1 no hydrogen 2.988 N/A PHE 38.A N HIS 35.A O no hydrogen 2.903 N/A LYS 39.A N ARG 37.A O no hydrogen 2.884 N/A ARG 40.A NE GLN 97.A OE1 no hydrogen 2.837 N/A ARG 40.A NH1 GLN 97.A OE1 no hydrogen 3.230 N/A ARG 40.A NH1 GLU 98.A OE2 no hydrogen 2.859 N/A ILE 43.A N GLU 41.A OE2 no hydrogen 3.077 N/A GLN 44.A N GLU 41.A OE2 no hydrogen 2.926 N/A GLN 44.A NE2 GLU 45.A O no hydrogen 3.493 N/A LYS 48.A N GLN 44.A O no hydrogen 3.072 N/A ASN 49.A ND2 GLU 45.A OE1 no hydrogen 2.858 N/A ARG 50.A N ALA 47.A O no hydrogen 3.282 N/A ARG 50.A NH1 LYS 39.A O no hydrogen 2.828 N/A ARG 50.A NH2 LYS 39.A O no hydrogen 3.095 N/A GLN 54.A NE2 ARG 50.A O no hydrogen 3.576 N/A GLN 54.A NE2 GLY 52.A O no hydrogen 2.958 N/A THR 55.A OG1 VAL 33.A O no hydrogen 2.684 N/A ARG 56.A N THR 55.A OG1 no hydrogen 2.782 N/A ARG 56.A NH1 VAL 11.A O no hydrogen 2.893 N/A ARG 56.A NH2 VAL 11.A O no hydrogen 3.558 N/A SER 57.A OG ASP 58.A OD1 no hydrogen 3.288 N/A LEU 60.A N SER 57.A O no hydrogen 3.204 N/A LEU 61.A N ASP 58.A O no hydrogen 3.486 N/A ASP 65.A N SER 62.A O no hydrogen 2.882 N/A ASP 65.A N SER 62.A OG no hydrogen 3.055 N/A TRP 66.A N SER 62.A O no hydrogen 3.112 N/A TRP 66.A NE1 ASP 58.A O no hydrogen 2.717 N/A ASN 67.A N GLY 63.A O no hydrogen 2.930 N/A ASN 67.A ND2 LEU 105.A O no hydrogen 3.656 N/A ASN 67.A ND2 GLY 106.A O no hydrogen 3.046 N/A THR 68.A N ASP 65.A O no hydrogen 3.257 N/A THR 68.A OG1 ARG 64.A O no hydrogen 2.971 N/A LEU 69.A N ASP 65.A O no hydrogen 2.847 N/A VAL 71.A N LEU 29.A O no hydrogen 2.829 N/A GLY 72.A N ALA 109.A O no hydrogen 3.121 N/A LYS 73.A NZ ASP 7.A OD1 no hydrogen 2.815 N/A LYS 73.A NZ ASP 7.A OD2 no hydrogen 3.462 N/A LYS 73.A NZ LEU 8.A O no hydrogen 3.008 N/A LEU 74.A N LEU 111.A O no hydrogen 2.921 N/A SER 75.A N GLU 98.A OE1 no hydrogen 2.855 N/A SER 75.A OG GLU 98.A OE1 no hydrogen 3.305 N/A SER 75.A OG GLU 98.A OE2 no hydrogen 2.725 N/A ILE 78.A N SER 75.A O no hydrogen 2.925 N/A ARG 79.A N SER 91.A OG no hydrogen 2.899 N/A SER 82.A N ARG 79.A O no hydrogen 3.240 N/A SER 82.A OG VAL 84.A O no hydrogen 3.506 N/A VAL 84.A N SER 82.A OG no hydrogen 2.980 N/A LYS 86.A NZ GLN 44.A OE1 no hydrogen 3.406 N/A ILE 87.A N VAL 84.A O no hydrogen 2.880 N/A ARG 88.A N VAL 84.A O no hydrogen 3.190 N/A ARG 88.A NH1 SER 82.A O no hydrogen 3.244 N/A ARG 89.A N GLU 85.A O no hydrogen 3.046 N/A ARG 89.A NE GLU 85.A OE2 no hydrogen 3.043 N/A ASN 90.A N LYS 86.A O no hydrogen 2.953 N/A SER 91.A N ILE 87.A O no hydrogen 2.850 N/A SER 91.A OG ILE 87.A O no hydrogen 2.679 N/A GLU 92.A N ARG 88.A O no hydrogen 2.786 N/A ALA 93.A N ARG 89.A O no hydrogen 3.324 N/A ALA 94.A N ASN 90.A O no hydrogen 3.021 N/A MET 95.A N SER 91.A O no hydrogen 2.903 N/A MET 95.A N GLU 92.A O no hydrogen 3.069 N/A LEU 96.A N GLU 92.A O no hydrogen 3.036 N/A GLN 97.A N ALA 93.A O no hydrogen 2.995 N/A GLU 98.A N ALA 94.A O no hydrogen 3.033 N/A LEU 99.A N MET 95.A O no hydrogen 2.849 N/A ASN 100.A N LEU 96.A O no hydrogen 2.838 N/A PHE 101.A N GLN 97.A O no hydrogen 3.003 N/A GLY 102.A N GLU 98.A O no hydrogen 3.194 N/A ALA 103.A N LEU 99.A O no hydrogen 3.019 N/A TYR 104.A N ASN 100.A O no hydrogen 2.968 N/A TYR 104.A OH ASP 58.A OD2 no hydrogen 2.611 N/A LEU 105.A N PHE 101.A O no hydrogen 3.260 N/A GLY 106.A N ALA 103.A O no hydrogen 3.113 N/A LEU 107.A N GLY 102.A O no hydrogen 3.123 N/A PHE 110.A N MET 138.A O no hydrogen 2.892 N/A LEU 111.A N GLY 72.A O no hydrogen 2.800 N/A LEU 112.A N TRP 140.A O no hydrogen 2.876 N/A LEU 114.A N ARG 142.A O no hydrogen 2.861 N/A GLN 116.A NE2 ASP 118.A O no hydrogen 2.855 N/A ASN 119.A ND2 GLN 116.A O no hydrogen 2.767 N/A THR 120.A N ASP 118.A OD1 no hydrogen 3.079 N/A THR 120.A OG1 ASP 118.A OD1 no hydrogen 2.680 N/A ASN 121.A N ASP 81.A OD1 no hydrogen 2.948 N/A ASN 121.A ND2 PRO 80.A O no hydrogen 3.122 N/A ASN 121.A ND2 GLU 92.A OE2 no hydrogen 2.830 N/A LEU 122.A N ASP 81.A OD2 no hydrogen 3.096 N/A ALA 123.A N ASN 119.A O no hydrogen 3.054 N/A ARG 124.A N THR 120.A O no hydrogen 2.918 N/A ARG 124.A NE ASN 128.A OD1 no hydrogen 2.896 N/A ARG 124.A NH1 ASN 128.A OD1 no hydrogen 3.156 N/A ARG 124.A NH2 ASN 121.A OD1 no hydrogen 2.883 N/A VAL 125.A N ASN 121.A O no hydrogen 2.983 N/A LEU 126.A N LEU 122.A O no hydrogen 2.882 N/A THR 127.A N ALA 123.A O no hydrogen 2.850 N/A THR 127.A OG1 ALA 123.A O no hydrogen 2.584 N/A ASN 128.A N ARG 124.A O no hydrogen 2.877 N/A HIS 129.A N VAL 125.A O no hydrogen 3.079 N/A HIS 129.A ND1 ASN 100.A OD1 no hydrogen 2.865 N/A ILE 130.A N LEU 126.A O no hydrogen 2.891 N/A HIS 131.A N THR 127.A O no hydrogen 3.106 N/A HIS 131.A ND1 THR 127.A O no hydrogen 3.081 N/A THR 132.A N HIS 129.A O no hydrogen 3.036 N/A THR 132.A OG1 ASN 128.A O no hydrogen 3.096 N/A SER 136.A OG HIS 135.A O no hydrogen 2.529 N/A SER 137.A OG LEU 107.A O no hydrogen 2.571 N/A MET 138.A N PRO 108.A O no hydrogen 3.162 N/A PHE 139.A N ARG 189.A O no hydrogen 2.709 N/A TRP 140.A N PHE 110.A O no hydrogen 2.798 N/A MET 141.A N ALA 191.A O no hydrogen 2.905 N/A ARG 142.A N LEU 112.A O no hydrogen 2.817 N/A ARG 142.A NE GLU 195.A OE2 no hydrogen 3.026 N/A ARG 142.A NH1 ASP 7.A OD2 no hydrogen 2.965 N/A ARG 142.A NH2 ASP 7.A OD2 no hydrogen 3.301 N/A ARG 142.A NH2 GLU 195.A OE2 no hydrogen 2.855 N/A ARG 142.A NH2 THR 255.A OG1 no hydrogen 3.309 N/A VAL 143.A N ALA 193.A O no hydrogen 3.110 N/A LEU 145.A N GLU 195.A O no hydrogen 2.800 N/A ASP 150.A N ALA 147.A O no hydrogen 2.858 N/A LEU 151.A N PRO 148.A O no hydrogen 3.500 N/A ARG 152.A NE GLU 149.A OE2 no hydrogen 3.304 N/A ARG 152.A NH1 ALA 159.A O no hydrogen 3.256 N/A ARG 152.A NH2 ALA 159.A O no hydrogen 2.880 N/A ALA 159.A N ILE 156.A O no hydrogen 3.356 N/A THR 161.A N ASP 154.A OD1 no hydrogen 3.073 N/A THR 162.A OG1 THR 164.A OG1 no hydrogen 2.999 N/A THR 164.A OG1 THR 162.A OG1 no hydrogen 2.999 N/A THR 164.A OG1 GLU 166.A OE2 no hydrogen 3.505 N/A GLU 170.A N GLU 166.A O no hydrogen 2.815 N/A GLU 171.A N SER 168.A O no hydrogen 2.944 N/A LYS 172.A N GLY 169.A O no hydrogen 3.188 N/A LYS 172.A NZ ASP 150.A OD2 no hydrogen 2.669 N/A LYS 172.A NZ GLY 169.A O no hydrogen 2.758 N/A THR 173.A OG1 PRO 144.A O no hydrogen 2.727 N/A THR 173.A OG1 LEU 145.A O no hydrogen 3.302 N/A TRP 174.A NE1 GLU 212.A OE2 no hydrogen 2.912 N/A TRP 176.A N LYS 172.A O no hydrogen 3.261 N/A TRP 177.A N THR 173.A O no hydrogen 3.299 N/A TRP 177.A NE1 GLU 212.A OE1 no hydrogen 2.721 N/A HIS 178.A N TRP 174.A O no hydrogen 2.766 N/A ASN 179.A N MET 175.A O.A no hydrogen 2.966 N/A ASN 179.A N MET 175.A O.B no hydrogen 2.901 N/A PHE 180.A N TRP 176.A O no hydrogen 3.175 N/A ARG 181.A N TRP 177.A O no hydrogen 3.032 N/A ARG 181.A NE HIS 178.A ND1 no hydrogen 3.019 N/A ARG 181.A NH1 GLU 212.A OE1 no hydrogen 2.762 N/A ARG 181.A NH2 HIS 178.A ND1 no hydrogen 2.837 N/A ARG 181.A NH2 GLU 212.A OE1 no hydrogen 3.373 N/A ARG 181.A NH2 GLU 212.A OE2 no hydrogen 3.137 N/A THR 182.A N HIS 178.A O no hydrogen 2.961 N/A THR 182.A OG1 HIS 178.A O no hydrogen 2.884 N/A LEU 183.A N ASN 179.A O no hydrogen 2.989 N/A CYS 184.A N PHE 180.A O no hydrogen 3.044 N/A CYS 184.A SG ALA 123.A O no hydrogen 3.810 N/A CYS 184.A SG THR 127.A OG1 no hydrogen 3.538 N/A CYS 184.A SG PHE 180.A O no hydrogen 3.401 N/A ASP 185.A N THR 182.A O no hydrogen 3.395 N/A TYR 186.A N ARG 181.A O no hydrogen 2.956 N/A ARG 189.A N SER 187.A OG no hydrogen 3.098 N/A ARG 189.A NE SER 137.A O no hydrogen 2.943 N/A ARG 189.A NH1 SER 137.A O no hydrogen 3.044 N/A ILE 190.A N SER 187.A O no hydrogen 3.224 N/A ALA 191.A N PHE 139.A O no hydrogen 2.900 N/A VAL 192.A N PRO 213.A O no hydrogen 2.864 N/A ALA 193.A N MET 141.A O no hydrogen 2.751 N/A LEU 194.A N ALA 216.A O no hydrogen 3.073 N/A GLU 195.A N VAL 143.A O no hydrogen 2.815 N/A ILE 196.A N ILE 218.A O no hydrogen 2.926 N/A VAL 205.A N SER 202.A O no hydrogen 3.110 N/A ILE 206.A N SER 202.A O no hydrogen 3.440 N/A ASP 207.A N ASN 203.A O no hydrogen 2.880 N/A ARG 208.A N VAL 205.A O no hydrogen 3.354 N/A ARG 208.A NE GLU 171.A OE1 no hydrogen 3.180 N/A TRP 209.A N ILE 206.A O no hydrogen 3.191 N/A LEU 210.A N ASP 207.A O no hydrogen 3.490 N/A GLU 212.A N TRP 209.A O no hydrogen 3.294 N/A ILE 214.A N GLU 212.A O no hydrogen 2.814 N/A LYS 215.A N VAL 192.A O no hydrogen 2.888 N/A ALA 216.A N VAL 192.A O no hydrogen 3.269 N/A ALA 217.A N GLN 251.A O no hydrogen 3.059 N/A ILE 218.A N LEU 194.A O no hydrogen 2.793 N/A LEU 219.A N ILE 253.A O no hydrogen 2.852 N/A THR 221.A N THR 255.A O no hydrogen 2.956 N/A THR 221.A OG1 THR 257.A O no hydrogen 2.593 N/A ILE 223.A N PRO 220.A O no hydrogen 3.140 N/A PHE 224.A N THR 221.A O no hydrogen 3.160 N/A LEU 225.A N VAL 233.A O no hydrogen 2.777 N/A THR 226.A OG1 HIS 260.A NE2 no hydrogen 3.017 N/A ASN 227.A N PHE 231.A O no hydrogen 3.097 N/A GLY 230.A N ASN 227.A O no hydrogen 3.262 N/A PHE 231.A N ASN 227.A OD1 no hydrogen 2.862 N/A VAL 233.A N LEU 225.A O no hydrogen 2.784 N/A LEU 234.A N TYR 267.A OH no hydrogen 3.353 N/A SER 235.A OG HIS 238.A ND1 no hydrogen 3.318 N/A LYS 236.A NZ GLN 239.A OE1 no hydrogen 2.770 N/A HIS 238.A N SER 235.A OG no hydrogen 3.083 N/A HIS 238.A NE2 GLY 197.A O no hydrogen 3.039 N/A GLN 239.A N SER 235.A O no hydrogen 2.801 N/A GLN 239.A NE2 LEU 234.A O no hydrogen 2.867 N/A ARG 240.A N LYS 236.A O no hydrogen 3.014 N/A LEU 241.A N MET 237.A O no hydrogen 3.362 N/A ILE 242.A N HIS 238.A O no hydrogen 3.097 N/A PHE 243.A N GLN 239.A O no hydrogen 3.039 N/A ARG 244.A N ARG 240.A O no hydrogen 3.264 N/A ARG 244.A NH1 ASP 207.A OD1 no hydrogen 3.069 N/A ARG 244.A NH2 ASP 207.A OD1 no hydrogen 2.958 N/A LEU 245.A N LEU 241.A O no hydrogen 3.197 N/A LEU 246.A N ILE 242.A O no hydrogen 2.918 N/A LYS 247.A NZ GLU 282.A OE2 no hydrogen 3.555 N/A LEU 248.A N ARG 244.A O no hydrogen 3.320 N/A GLU 249.A N LEU 246.A O no hydrogen 3.163 N/A VAL 250.A N LEU 245.A O no hydrogen 3.344 N/A GLN 251.A N LYS 215.A O no hydrogen 3.013 N/A GLN 251.A NE2 SER 3.A OG no hydrogen 2.776 N/A PHE 252.A N SER 3.A O no hydrogen 2.862 N/A ILE 253.A N ALA 217.A O no hydrogen 2.804 N/A ILE 254.A N GLY 5.A O no hydrogen 2.915 N/A THR 255.A N LEU 219.A O no hydrogen 3.302 N/A THR 255.A OG1 ASP 7.A OD2 no hydrogen 2.735 N/A ASN 258.A ND2 HIS 260.A O no hydrogen 3.173 N/A HIS 259.A N TYR 264.A OH no hydrogen 3.203 N/A HIS 260.A N ASN 258.A OD1 no hydrogen 3.048 N/A HIS 260.A ND1 TYR 264.A OH no hydrogen 2.808 N/A HIS 260.A NE2 THR 226.A OG1 no hydrogen 3.017 N/A CYS 262.A N GLN 24.A O no hydrogen 3.246 N/A GLN 266.A N CYS 262.A O no hydrogen 3.030 N/A TYR 267.A N SER 263.A O no hydrogen 3.076 N/A TYR 267.A OH LEU 234.A O no hydrogen 3.336 N/A GLU 269.A N LEU 265.A O no hydrogen 3.084 N/A TYR 270.A N GLN 266.A O no hydrogen 3.048 N/A LEU 271.A N TYR 267.A O no hydrogen 2.900 N/A SER 272.A N LEU 268.A O no hydrogen 2.844 N/A GLN 273.A N GLU 269.A O no hydrogen 2.867 N/A GLN 273.A N TYR 270.A O no hydrogen 3.186 N/A GLN 273.A NE2 GLU 269.A OE1 no hydrogen 3.539 N/A ASN 274.A N TYR 270.A O no hydrogen 2.967 N/A ASN 274.A N LEU 271.A O no hydrogen 3.055 N/A ASN 274.A ND2 TYR 270.A O no hydrogen 3.092 N/A ASN 279.A N GLU 282.A OE1 no hydrogen 2.954 N/A GLU 282.A N ASN 279.A OD1 no hydrogen 3.303 N/A LEU 283.A N ASN 279.A O no hydrogen 2.874 N/A PHE 284.A N ALA 280.A O no hydrogen 2.970 N/A ALA 285.A N TYR 281.A O no hydrogen 2.836 N/A LYS 286.A N LEU 283.A O no hydrogen 3.443 N/A GLY 287.A N GLU 289.A OE1 no hydrogen 2.989 N/A TYR 288.A N ALA 285.A O no hydrogen 2.809 N/A ASP 290.A N ARG 489.A O no hydrogen 2.748 N/A TYR 291.A N TYR 288.A O no hydrogen 3.182 N/A GLN 293.A N VAL 487.A O no hydrogen 2.861 N/A GLN 297.A NE2 THR 618.A O no hydrogen 3.190 N/A ASP 301.A N GLN 297.A O no hydrogen 2.818 N/A TYR 308.A N GLU 304.A O no hydrogen 3.240 N/A GLU 309.A N SER 305.A O no hydrogen 3.033 N/A VAL 310.A N GLN 306.A O no hydrogen 2.942 N/A PHE 311.A N THR 307.A O no hydrogen 3.051 N/A GLU 312.A N TYR 308.A O no hydrogen 2.984 N/A GLU 312.A N GLU 309.A O no hydrogen 3.179 N/A LYS 313.A N GLU 309.A O no hydrogen 3.259 N/A LYS 317.A NZ PHE 311.A O no hydrogen 2.966 N/A LYS 317.A NZ TYR 318.A OH no hydrogen 3.335 N/A LYS 317.A NZ GLU 419.A OE2 no hydrogen 2.705 N/A LYS 317.A NZ SER 562.A OG no hydrogen 2.825 N/A TYR 318.A N ASP 314.A O no hydrogen 3.474 N/A TYR 318.A OH GLU 419.A OE1 no hydrogen 2.903 N/A SER 319.A N PRO 315.A O no hydrogen 2.727 N/A SER 319.A OG PRO 315.A O no hydrogen 3.392 N/A SER 319.A OG ILE 316.A O no hydrogen 3.089 N/A GLN 320.A N ILE 316.A O no hydrogen 2.911 N/A GLN 320.A NE2 THR 548.A O no hydrogen 2.902 N/A TYR 321.A N LYS 317.A O no hydrogen 2.998 N/A TYR 321.A OH SER 418.A O no hydrogen 2.899 N/A GLN 322.A N TYR 318.A O no hydrogen 2.782 N/A GLN 323.A N SER 319.A O no hydrogen 3.329 N/A GLN 323.A NE2 SER 319.A O no hydrogen 3.488 N/A ALA 324.A N GLN 320.A O no hydrogen 3.119 N/A ILE 325.A N TYR 321.A O no hydrogen 3.069 N/A ILE 325.A N GLN 322.A O no hydrogen 3.012 N/A TYR 326.A N GLN 322.A O no hydrogen 2.894 N/A LYS 327.A N GLN 323.A O no hydrogen 2.963 N/A LYS 327.A NZ GLN 545.A OE1 no hydrogen 2.788 N/A LYS 327.A NZ ASP 546.A OD1 no hydrogen 2.809 N/A CYS 328.A N ILE 325.A O no hydrogen 3.034 N/A LEU 329.A N ILE 325.A O no hydrogen 2.811 N/A LEU 330.A N TYR 326.A O no hydrogen 3.154 N/A ASP 331.A N LYS 327.A O no hydrogen 3.312 N/A ARG 332.A N LEU 329.A O no hydrogen 3.256 N/A ARG 332.A NE GLN 343.A OE1 no hydrogen 3.051 N/A ARG 332.A NH1 ASP 414.A OD1 no hydrogen 3.326 N/A ARG 332.A NH1 ASP 444.A O no hydrogen 3.484 N/A ARG 332.A NH1 ASP 444.A OD1 no hydrogen 2.642 N/A ARG 332.A NH2 ASP 444.A O no hydrogen 2.779 N/A VAL 333.A N LEU 329.A O no hydrogen 3.049 N/A GLU 336.A N GLU 336.A OE1 no hydrogen 3.156 N/A GLU 337.A N PRO 334.A O no hydrogen 2.795 N/A LYS 338.A N GLU 335.A O no hydrogen 3.355 N/A THR 340.A OG1 GLU 337.A O no hydrogen 3.103 N/A THR 340.A OG1 GLU 337.A OE1 no hydrogen 2.771 N/A ASN 341.A N GLU 337.A O no hydrogen 3.249 N/A GLN 343.A N ARG 369.A O no hydrogen 2.812 N/A GLN 343.A NE2 ASN 341.A OD1 no hydrogen 2.817 N/A VAL 344.A N ASP 414.A OD2 no hydrogen 2.798 N/A LEU 345.A N LYS 371.A O no hydrogen 2.866 N/A MET 346.A N ILE 415.A O no hydrogen 2.891 N/A VAL 347.A N TYR 373.A O no hydrogen 2.944 N/A LEU 348.A N VAL 417.A O no hydrogen 2.899 N/A GLY 349.A N VAL 375.A O no hydrogen 2.777 N/A ALA 350.A N VAL 375.A O no hydrogen 3.180 N/A GLY 351.A N GLU 376.A OE1 no hydrogen 2.695 N/A ARG 352.A NE GLU 312.A OE1 no hydrogen 3.252 N/A ARG 352.A NE GLU 312.A OE2 no hydrogen 3.290 N/A ARG 352.A NH1 GLU 312.A OE1 no hydrogen 2.824 N/A GLY 353.A N ALA 350.A O no hydrogen 2.827 N/A ASN 357.A N GLY 353.A O no hydrogen 3.260 N/A ALA 358.A N PRO 354.A O no hydrogen 3.103 N/A SER 359.A N LEU 355.A O no hydrogen 2.767 N/A SER 359.A OG LEU 355.A O no hydrogen 3.031 N/A LEU 360.A N VAL 356.A O no hydrogen 3.125 N/A ARG 361.A N ASN 357.A O no hydrogen 2.884 N/A ARG 361.A NE ASN 357.A O no hydrogen 3.569 N/A ALA 362.A N ALA 358.A O no hydrogen 2.972 N/A ALA 363.A N SER 359.A O no hydrogen 3.161 N/A LYS 364.A N LEU 360.A O no hydrogen 3.180 N/A GLN 365.A N ARG 361.A O no hydrogen 3.316 N/A ALA 366.A N ALA 362.A O no hydrogen 3.035 N/A ASP 367.A N LYS 364.A O no hydrogen 3.098 N/A ARG 368.A N ALA 363.A O no hydrogen 3.063 N/A ARG 368.A NE ASP 367.A O no hydrogen 2.813 N/A ARG 368.A NH1 VAL 333.A O no hydrogen 2.614 N/A ARG 369.A NH1 ASP 339.A O no hydrogen 2.801 N/A LYS 371.A N GLN 343.A O no hydrogen 2.790 N/A LYS 371.A NZ GLU 411.A OE2 no hydrogen 2.765 N/A TYR 373.A N LEU 345.A O no hydrogen 2.945 N/A ALA 374.A N THR 398.A O no hydrogen 3.097 N/A VAL 375.A N VAL 347.A O no hydrogen 2.982 N/A GLU 376.A N VAL 400.A O no hydrogen 3.085 N/A LYS 377.A NZ PRO 298.A O no hydrogen 2.776 N/A LYS 377.A NZ LEU 299.A O no hydrogen 3.072 N/A LYS 377.A NZ ASP 301.A O no hydrogen 2.824 N/A LYS 377.A NZ ASN 302.A OD1 no hydrogen 3.021 N/A ASN 378.A N GLU 376.A OE2 no hydrogen 2.840 N/A ASN 378.A ND2 LEU 303.A O no hydrogen 3.180 N/A ASN 378.A ND2 TYR 308.A OH no hydrogen 2.788 N/A ASN 380.A N ASN 378.A OD1 no hydrogen 3.224 N/A ASN 380.A ND2 ASN 378.A OD1 no hydrogen 2.951 N/A VAL 382.A N ASN 378.A O no hydrogen 3.114 N/A VAL 383.A N ASN 380.A O no hydrogen 3.405 N/A THR 384.A N ALA 381.A O no hydrogen 2.810 N/A THR 384.A OG1 ALA 381.A O no hydrogen 3.167 N/A LEU 385.A N ALA 381.A O no hydrogen 3.232 N/A GLU 386.A N VAL 382.A O no hydrogen 3.102 N/A ASN 387.A N VAL 383.A O no hydrogen 3.017 N/A TRP 388.A N THR 384.A O no hydrogen 3.023 N/A GLN 389.A N LEU 385.A O no hydrogen 2.788 N/A PHE 390.A N GLU 386.A O no hydrogen 3.256 N/A GLU 391.A N ASN 387.A O no hydrogen 2.879 N/A GLU 392.A N TRP 388.A O no hydrogen 2.785 N/A TRP 393.A N TRP 388.A O no hydrogen 3.011 N/A TRP 393.A NE1 ASN 357.A OD1 no hydrogen 2.813 N/A GLY 394.A N GLN 389.A O no hydrogen 2.839 N/A VAL 397.A N GLY 394.A O no hydrogen 3.201 N/A THR 398.A N LEU 372.A O no hydrogen 2.921 N/A VAL 400.A N ALA 374.A O no hydrogen 3.326 N/A SER 402.A OG ASP 403.A O no hydrogen 3.262 N/A ARG 405.A N ASP 403.A OD1 no hydrogen 2.817 N/A ARG 405.A NE ASP 403.A OD1 no hydrogen 3.215 N/A ARG 405.A NH1 LEU 621.A OXT no hydrogen 3.203 N/A ARG 405.A NH2 ASP 403.A OD2 no hydrogen 2.976 N/A ARG 405.A NH2 LEU 621.A OXT no hydrogen 3.065 N/A GLU 406.A N ASP 403.A O no hydrogen 2.864 N/A TRP 407.A N ASP 403.A O no hydrogen 3.201 N/A GLU 411.A N GLU 411.A OE1 no hydrogen 2.826 N/A ALA 413.A N PHE 440.A O no hydrogen 2.823 N/A ASP 414.A N VAL 344.A O no hydrogen 2.803 N/A ILE 415.A N VAL 344.A O no hydrogen 3.236 N/A ILE 416.A N VAL 446.A O no hydrogen 3.036 N/A VAL 417.A N MET 346.A O no hydrogen 2.995 N/A SER 418.A N ILE 448.A O no hydrogen 2.849 N/A LEU 421.A N GLU 419.A O no hydrogen 2.783 N/A GLY 422.A N ALA 425.A O no hydrogen 3.032 N/A SER 423.A OG PHE 564.A O no hydrogen 2.427 N/A PHE 424.A N ASN 427.A OD1 no hydrogen 2.865 N/A ALA 425.A N GLY 422.A O no hydrogen 2.877 N/A LEU 429.A N ASP 426.A O no hydrogen 3.256 N/A SER 430.A OG TYR 452.A OH no hydrogen 2.903 N/A CYS 433.A N LEU 429.A O no hydrogen 3.042 N/A CYS 433.A SG LEU 429.A O no hydrogen 3.632 N/A LEU 434.A N SER 430.A O no hydrogen 3.101 N/A ASP 435.A N PRO 431.A O no hydrogen 3.134 N/A GLY 436.A N GLU 432.A O no hydrogen 3.255 N/A GLN 438.A N ASP 435.A O no hydrogen 3.274 N/A GLN 438.A NE2 ASN 509.A O no hydrogen 3.185 N/A PHE 440.A N ALA 437.A O no hydrogen 3.172 N/A LEU 441.A N GLN 438.A O no hydrogen 3.270 N/A LYS 442.A N ALA 413.A O no hydrogen 3.034 N/A LYS 442.A NZ ASP 414.A OD1 no hydrogen 2.819 N/A LYS 442.A NZ ASP 414.A OD2 no hydrogen 3.027 N/A GLY 445.A N LYS 442.A O no hydrogen 2.864 N/A VAL 446.A N ASP 414.A O no hydrogen 3.059 N/A SER 447.A OG PRO 449.A O no hydrogen 2.914 N/A ILE 448.A N ILE 416.A O no hydrogen 2.892 N/A GLY 450.A N VAL 542.A O no hydrogen 2.890 N/A GLY 450.A N LEU 543.A O no hydrogen 3.252 N/A GLU 451.A N VAL 542.A O no hydrogen 3.186 N/A TYR 452.A N PHE 505.A O no hydrogen 2.988 N/A TYR 452.A OH SER 430.A OG no hydrogen 2.903 N/A TYR 452.A OH HIS 507.A NE2 no hydrogen 2.802 N/A THR 453.A N GLU 540.A O no hydrogen 2.802 N/A THR 453.A OG1 THR 504.A OG1 no hydrogen 2.722 N/A SER 454.A N PHE 503.A O no hydrogen 2.791 N/A SER 454.A OG PHE 503.A O no hydrogen 3.537 N/A PHE 455.A N TYR 538.A O no hydrogen 2.849 N/A LEU 456.A N GLN 500.A O no hydrogen 2.947 N/A ALA 457.A N ALA 536.A O no hydrogen 2.967 N/A ILE 459.A N GLY 534.A O no hydrogen 2.927 N/A SER 460.A N HIS 494.A O no hydrogen 2.988 N/A SER 460.A OG THR 530.A OG1 no hydrogen 3.409 N/A SER 460.A OG VAL 531.A O no hydrogen 2.639 N/A SER 461.A N HIS 533.A ND1 no hydrogen 2.837 N/A SER 461.A OG ASN 492.A O no hydrogen 2.956 N/A LYS 463.A N GLY 211.A O no hydrogen 3.269 N/A LEU 464.A N SER 461.A OG no hydrogen 2.858 N/A TYR 465.A N SER 461.A O no hydrogen 3.126 N/A ASN 466.A N SER 462.A O no hydrogen 3.224 N/A ASN 466.A ND2 TYR 186.A O no hydrogen 2.887 N/A GLU 467.A N LYS 463.A O no hydrogen 3.112 N/A VAL 468.A N LEU 464.A O no hydrogen 2.943 N/A ARG 469.A N TYR 465.A O no hydrogen 3.100 N/A ARG 469.A NH1 ASN 466.A OD1 no hydrogen 3.418 N/A ALA 470.A N ASN 466.A O no hydrogen 2.943 N/A CYS 471.A N VAL 468.A O no hydrogen 2.958 N/A CYS 471.A SG GLU 467.A O no hydrogen 3.587 N/A ARG 476.A NH1 CYS 471.A O no hydrogen 3.000 N/A GLU 479.A N ASP 477.A OD1 no hydrogen 2.889 N/A ALA 480.A N ASP 477.A O no hydrogen 3.249 N/A GLN 481.A N GLN 481.A OE1 no hydrogen 2.729 N/A GLN 481.A NE2 PRO 478.A O no hydrogen 2.751 N/A PHE 482.A N GLU 479.A O no hydrogen 3.018 N/A GLU 483.A N ALA 480.A O no hydrogen 2.979 N/A TYR 486.A N LEU 567.A O no hydrogen 3.037 N/A TYR 486.A OH GLN 481.A O no hydrogen 2.741 N/A VAL 487.A N GLN 293.A O no hydrogen 2.812 N/A VAL 488.A N PRO 565.A O no hydrogen 2.933 N/A ARG 489.A NE LEU 490.A O no hydrogen 2.960 N/A ARG 489.A NH2 LEU 490.A O no hydrogen 2.803 N/A HIS 491.A N ASP 290.A OD1 no hydrogen 2.910 N/A HIS 491.A NE2 LYS 247.A O no hydrogen 2.887 N/A ASN 492.A N ASP 290.A OD2 no hydrogen 2.800 N/A ASN 492.A ND2 GLU 212.A O no hydrogen 3.128 N/A HIS 494.A N SER 460.A O no hydrogen 2.796 N/A LEU 496.A N PRO 458.A O no hydrogen 2.982 N/A SER 497.A OG PRO 525.A O no hydrogen 2.901 N/A GLN 500.A N LEU 456.A O no hydrogen 3.086 N/A GLN 500.A NE2 GLU 523.A O no hydrogen 3.058 N/A CYS 502.A N SER 454.A O no hydrogen 2.684 N/A PHE 503.A N SER 454.A OG no hydrogen 3.036 N/A THR 504.A OG1 THR 453.A OG1 no hydrogen 2.722 N/A PHE 505.A N TYR 452.A O no hydrogen 2.854 N/A HIS 507.A N GLY 450.A O no hydrogen 2.774 N/A HIS 507.A NE2 TYR 452.A OH no hydrogen 2.802 N/A ASN 509.A N GLN 438.A OE1 no hydrogen 2.935 N/A ASN 516.A ND2 ASP 435.A OD2 no hydrogen 2.878 N/A ASN 517.A N ASP 515.A OD1 no hydrogen 3.090 N/A ARG 518.A N ARG 588.A O no hydrogen 3.147 N/A ARG 518.A NH1 ASP 515.A O no hydrogen 2.958 N/A ARG 518.A NH1 ASN 517.A O no hydrogen 3.394 N/A ARG 518.A NH2 THR 504.A O no hydrogen 2.736 N/A CYS 520.A N PHE 586.A O no hydrogen 2.902 N/A CYS 520.A SG CYS 502.A O no hydrogen 3.524 N/A LEU 522.A N VAL 584.A O no hydrogen 2.867 N/A PHE 524.A N ILE 582.A O no hydrogen 2.784 N/A VAL 526.A N GLN 580.A O no hydrogen 2.971 N/A ASN 529.A ND2 GLU 171.A OE1 no hydrogen 3.310 N/A ASN 529.A ND2 GLU 171.A OE2 no hydrogen 2.954 N/A THR 530.A N VAL 576.A O no hydrogen 2.733 N/A THR 530.A OG1 SER 460.A OG no hydrogen 3.409 N/A VAL 531.A N THR 530.A OG1 no hydrogen 2.873 N/A LEU 532.A N ILE 574.A O no hydrogen 2.780 N/A HIS 533.A N ILE 459.A O no hydrogen 2.969 N/A PHE 535.A N PHE 568.A O no hydrogen 2.871 N/A ALA 536.A N ALA 457.A O no hydrogen 2.983 N/A GLY 537.A N ILE 566.A O no hydrogen 3.107 N/A TYR 538.A N PHE 455.A O no hydrogen 3.056 N/A GLU 540.A N THR 453.A O no hydrogen 2.807 N/A THR 541.A N LEU 549.A O no hydrogen 2.798 N/A THR 541.A OG1 GLU 451.A O no hydrogen 2.646 N/A VAL 542.A N GLU 451.A O no hydrogen 2.847 N/A LEU 543.A N ILE 547.A O no hydrogen 3.111 N/A TYR 544.A N ILE 547.A O no hydrogen 3.399 N/A TYR 544.A OH ASP 331.A OD2 no hydrogen 3.193 N/A GLN 545.A NE2 ASP 331.A OD2 no hydrogen 3.294 N/A ILE 547.A N TYR 544.A O no hydrogen 2.860 N/A LEU 549.A N THR 541.A O no hydrogen 3.061 N/A SER 550.A N SER 557.A OG no hydrogen 2.755 N/A SER 550.A OG GLU 540.A OE1 no hydrogen 3.503 N/A SER 550.A OG THR 555.A OG1 no hydrogen 2.673 N/A ILE 551.A N PHE 539.A O no hydrogen 2.946 N/A ARG 552.A N SER 550.A OG no hydrogen 3.380 N/A ARG 552.A NE GLU 540.A OE1 no hydrogen 2.786 N/A ARG 552.A NH2 GLU 540.A OE1 no hydrogen 2.977 N/A GLU 554.A N GLU 554.A OE2 no hydrogen 2.864 N/A THR 555.A N ARG 552.A O no hydrogen 2.962 N/A THR 555.A OG1 GLU 540.A OE1 no hydrogen 2.681 N/A THR 555.A OG1 SER 550.A OG no hydrogen 2.673 N/A HIS 556.A ND1 SER 557.A O no hydrogen 2.994 N/A SER 557.A N SER 550.A O no hydrogen 3.117 N/A SER 557.A OG SER 550.A O no hydrogen 3.221 N/A MET 560.A N SER 557.A O no hydrogen 3.436 N/A PHE 561.A N ASP 314.A OD1 no hydrogen 3.056 N/A SER 562.A N ASP 314.A OD2 no hydrogen 3.306 N/A SER 562.A OG ASP 314.A OD2 no hydrogen 3.092 N/A TRP 563.A NE1 LEU 421.A O no hydrogen 2.718 N/A ILE 566.A N GLY 537.A O no hydrogen 3.083 N/A LEU 567.A N TYR 486.A O no hydrogen 2.885 N/A PHE 568.A N PHE 535.A O no hydrogen 3.055 N/A ILE 570.A N HIS 533.A O no hydrogen 3.115 N/A LYS 571.A N HIS 610.A NE2 no hydrogen 2.840 N/A LYS 571.A NZ GLU 479.A OE1 no hydrogen 3.471 N/A ILE 574.A N LEU 532.A O no hydrogen 2.959 N/A VAL 576.A N THR 530.A O no hydrogen 2.899 N/A ARG 577.A N GLN 580.A OE1 no hydrogen 2.933 N/A GLU 578.A N ASN 529.A OD1 no hydrogen 2.930 N/A GLY 579.A N VAL 526.A O no hydrogen 2.842 N/A GLN 580.A N ARG 577.A O no hydrogen 2.956 N/A ILE 582.A N PHE 524.A O no hydrogen 2.909 N/A CYS 583.A N ALA 603.A O no hydrogen 2.931 N/A CYS 583.A SG LEU 522.A O no hydrogen 3.518 N/A CYS 583.A SG THR 602.A OG1 no hydrogen 2.950 N/A VAL 584.A N LEU 522.A O no hydrogen 2.880 N/A ARG 585.A N ALA 600.A O no hydrogen 2.757 N/A ARG 585.A NE THR 602.A OG1 no hydrogen 3.199 N/A ARG 585.A NH1 TYR 519.A OH no hydrogen 3.091 N/A PHE 586.A N CYS 520.A O no hydrogen 2.905 N/A TRP 587.A N GLU 598.A O no hydrogen 2.958 N/A ARG 588.A N ARG 518.A O no hydrogen 2.953 N/A ARG 588.A NE ASP 426.A OD2 no hydrogen 2.730 N/A ARG 588.A NH1 GLU 432.A OE2 no hydrogen 2.751 N/A ARG 588.A NH1 ASN 516.A O no hydrogen 3.389 N/A ARG 588.A NH2 ASP 426.A O no hydrogen 2.880 N/A ARG 588.A NH2 GLU 432.A OE1 no hydrogen 3.147 N/A ARG 588.A NH2 GLU 432.A OE2 no hydrogen 3.500 N/A CYS 589.A N TRP 596.A O no hydrogen 2.779 N/A SER 590.A OG ASN 517.A OD1 no hydrogen 2.874 N/A ASN 591.A N LYS 594.A O no hydrogen 2.921 N/A LYS 593.A N ASN 591.A OD1 no hydrogen 3.191 N/A LYS 594.A N ASN 591.A OD1 no hydrogen 2.814 N/A VAL 595.A N ILE 619.A O no hydrogen 2.859 N/A TRP 596.A N CYS 589.A O no hydrogen 2.900 N/A TRP 596.A NE1 GLU 598.A OE2 no hydrogen 2.652 N/A TYR 597.A OH ASP 426.A OD2 no hydrogen 2.589 N/A GLU 598.A N TRP 587.A O no hydrogen 3.373 N/A TRP 599.A N HIS 610.A O no hydrogen 3.276 N/A TRP 599.A NE1 PRO 569.A O no hydrogen 3.109 N/A ALA 600.A N ARG 585.A O no hydrogen 3.014 N/A VAL 601.A N SER 607.A OG no hydrogen 2.874 N/A THR 602.A N CYS 583.A O no hydrogen 2.842 N/A THR 602.A OG1 CYS 583.A O no hydrogen 3.492 N/A CYS 606.A SG THR 602.A O no hydrogen 3.927 N/A SER 607.A N VAL 601.A O no hydrogen 2.964 N/A SER 607.A OG VAL 601.A O no hydrogen 3.478 N/A SER 607.A OG ALA 608.A O no hydrogen 3.033 N/A HIS 610.A N TRP 599.A O no hydrogen 2.798 N/A HIS 610.A ND1 ALA 608.A O no hydrogen 2.944 N/A ASN 611.A N GLU 483.A OE2 no hydrogen 2.978 N/A ASN 611.A ND2 TYR 597.A O no hydrogen 2.652 N/A ASN 611.A ND2 TYR 617.A O no hydrogen 2.840 N/A THR 613.A N GLU 598.A OE2 no hydrogen 2.998 N/A GLY 614.A N ASN 611.A O no hydrogen 2.866 N/A ARG 615.A NE GLU 483.A OE1 no hydrogen 3.080 N/A ARG 615.A NE GLU 483.A OE2 no hydrogen 3.376 N/A ARG 615.A NH2 GLU 483.A OE2 no hydrogen 2.759 N/A SER 616.A N ASN 611.A OD1 no hydrogen 2.927 N/A SER 616.A OG ALA 480.A O no hydrogen 3.536 N/A SER 616.A OG GLU 483.A OE1 no hydrogen 2.784 N/A TYR 617.A N ASN 611.A OD1 no hydrogen 2.923 N/A ILE 619.A N VAL 595.A O no hydrogen 2.695 N/A GLY 620.A N GLN 297.A OE1 no hydrogen 2.999 N/A LEU 621.A N LYS 593.A O no hydrogen 2.872 N/A