Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1fwi_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A NH1 VAL 16.A O no hydrogen 3.168 N/A ARG 5.A NH2 VAL 16.A O no hydrogen 2.953 N/A GLN 6.A NE2 GLN 6.A O no hydrogen 2.834 N/A ALA 7.A N SER 4.A OG no hydrogen 3.399 N/A TYR 8.A N SER 4.A O no hydrogen 2.863 N/A TYR 8.A OH GLU 41.A OE2 no hydrogen 2.666 N/A ALA 9.A N ARG 5.A O no hydrogen 2.874 N/A ASP 10.A N GLN 6.A O no hydrogen 2.969 N/A MET 11.A N ALA 7.A O no hydrogen 3.093 N/A MET 11.A N TYR 8.A O no hydrogen 3.043 N/A PHE 12.A N TYR 8.A O no hydrogen 2.834 N/A GLY 13.A N ALA 9.A O no hydrogen 2.831 N/A THR 15.A N ASP 18.A OD2 no hydrogen 2.876 N/A THR 15.A OG1 ASP 34.A OD2 no hydrogen 2.631 N/A THR 15.A OG1 TYR 38.A OH no hydrogen 2.715 N/A VAL 16.A N THR 15.A OG1 no hydrogen 2.686 N/A GLY 17.A N VAL 31.A O no hydrogen 3.186 N/A ASP 18.A N THR 15.A O no hydrogen 2.953 N/A LYS 19.A NZ GLU 30.A OE1 no hydrogen 3.347 N/A VAL 20.A N ILE 29.A O no hydrogen 2.850 N/A ARG 21.A NH2 THR 25.A O no hydrogen 2.788 N/A LEU 22.A N LEU 27.A O no hydrogen 2.991 N/A ALA 23.A N PRO 420.A O no hydrogen 2.864 N/A THR 25.A N LEU 22.A O no hydrogen 3.051 N/A THR 25.A OG1 LEU 22.A O no hydrogen 2.735 N/A GLU 26.A N HIS 362.A ND1 no hydrogen 3.044 N/A LEU 27.A N THR 25.A OG1 no hydrogen 3.090 N/A TRP 28.A N ASP 379.A OD2 no hydrogen 3.064 N/A ILE 29.A N VAL 20.A O no hydrogen 2.975 N/A GLU 30.A N ASN 380.A OD1 no hydrogen 2.891 N/A VAL 31.A N ASP 18.A O no hydrogen 3.075 N/A GLU 32.A N ILE 80.A O no hydrogen 2.910 N/A ASP 34.A N ASP 33.A OD1 no hydrogen 3.022 N/A LEU 35.A N LYS 82.A O no hydrogen 2.982 N/A THR 36.A N ASP 34.A OD1 no hydrogen 3.174 N/A THR 36.A OG1 THR 37.A O no hydrogen 3.551 N/A THR 37.A OG1 ASN 106.A OD1 no hydrogen 3.099 N/A TYR 38.A OH THR 15.A OG1 no hydrogen 2.715 N/A GLY 39.A N GLU 41.A OE1 no hydrogen 3.058 N/A GLY 39.A N GLU 41.A OE2 no hydrogen 3.264 N/A GLU 40.A N THR 37.A O no hydrogen 2.773 N/A GLU 41.A N GLU 41.A OE1 no hydrogen 2.862 N/A LYS 43.A NZ GLU 121.A OE2 no hydrogen 3.112 N/A LYS 48.A N GLY 45.A O no hydrogen 2.995 N/A VAL 49.A N LYS 43.A O no hydrogen 3.116 N/A ILE 50.A N LYS 43.A O no hydrogen 3.205 N/A ARG 51.A N VAL 49.A O no hydrogen 2.767 N/A ARG 51.A NE LYS 48.A O no hydrogen 2.780 N/A GLY 53.A N GLN 56.A O no hydrogen 2.847 N/A MET 54.A N ARG 51.A O no hydrogen 2.879 N/A GLY 55.A N VAL 49.A O no hydrogen 2.795 N/A GLN 56.A N ARG 51.A O no hydrogen 3.158 N/A GLY 57.A N ILE 111.A O no hydrogen 2.806 N/A GLN 58.A NE2 ASP 52.A OD1 no hydrogen 3.092 N/A ASP 63.A N LEU 60.A O no hydrogen 2.864 N/A CYS 64.A N ALA 61.A O no hydrogen 3.221 N/A CYS 64.A SG LEU 60.A O no hydrogen 3.515 N/A CYS 64.A SG ALA 61.A O no hydrogen 3.751 N/A VAL 65.A N PRO 110.A O no hydrogen 3.152 N/A ASP 66.A N VAL 87.A O no hydrogen 2.963 N/A LEU 67.A N VAL 87.A O no hydrogen 3.104 N/A VAL 68.A N GLU 116.A O no hydrogen 3.055 N/A LEU 69.A N ILE 85.A O no hydrogen 2.863 N/A THR 70.A N ILE 118.A O no hydrogen 3.042 N/A THR 70.A OG1 GLU 121.A OE1 no hydrogen 2.978 N/A ASN 71.A N ASP 84.A OD1 no hydrogen 2.836 N/A ASN 71.A ND2 VAL 42.A O no hydrogen 3.108 N/A ASN 71.A ND2 GLU 121.A OE1 no hydrogen 3.040 N/A ALA 72.A N ALA 83.A O no hydrogen 2.830 N/A LEU 73.A N LYS 123.A O no hydrogen 3.157 N/A ILE 74.A N VAL 81.A O no hydrogen 2.691 N/A VAL 75.A N VAL 125.A O no hydrogen 3.127 N/A ASP 76.A N GLY 79.A O no hydrogen 3.022 N/A HIS 77.A NE2 GLU 408.A OE1 no hydrogen 3.247 N/A TRP 78.A NE1 ILE 407.A O no hydrogen 3.198 N/A GLY 79.A N ASP 76.A O no hydrogen 3.179 N/A ILE 80.A N GLU 32.A OE1 no hydrogen 3.119 N/A VAL 81.A N ILE 74.A O no hydrogen 3.037 N/A LYS 82.A N ASP 33.A O no hydrogen 2.869 N/A LYS 82.A NZ PHE 12.A O no hydrogen 2.786 N/A LYS 82.A NZ GLY 13.A O no hydrogen 3.262 N/A LYS 82.A NZ PRO 14.A O no hydrogen 2.993 N/A ALA 83.A N ALA 72.A O no hydrogen 2.932 N/A ASP 84.A N GLY 96.A O no hydrogen 2.995 N/A ILE 85.A N LEU 69.A O no hydrogen 2.986 N/A GLY 86.A N ALA 94.A O no hydrogen 2.888 N/A VAL 87.A N LEU 67.A O no hydrogen 2.845 N/A LYS 88.A N ARG 91.A O no hydrogen 2.958 N/A LYS 88.A NZ ALA 62.A O no hydrogen 2.665 N/A ASP 89.A N ASP 66.A OD2 no hydrogen 2.939 N/A ARG 91.A N LYS 88.A O no hydrogen 3.085 N/A ARG 91.A NH1 GLU 403.A OE1 no hydrogen 2.746 N/A ARG 91.A NH2 GLU 403.A OE1 no hydrogen 2.945 N/A ARG 91.A NH2 GLY 410.A O no hydrogen 3.021 N/A ILE 92.A N LYS 411.A O no hydrogen 2.816 N/A PHE 93.A N GLY 86.A O no hydrogen 2.817 N/A ALA 94.A N GLY 86.A O no hydrogen 3.386 N/A GLY 96.A N ASP 84.A O no hydrogen 2.939 N/A LYS 97.A N THR 108.A OG1 no hydrogen 2.998 N/A LYS 97.A NZ GLU 40.A O no hydrogen 2.686 N/A LYS 97.A NZ ALA 98.A O no hydrogen 2.779 N/A ALA 98.A N ASP 84.A OD2 no hydrogen 2.844 N/A GLY 99.A N ILE 109.A O no hydrogen 2.973 N/A ASN 100.A N GLN 104.A OE1 no hydrogen 2.959 N/A ASN 100.A ND2 MET 54.A O no hydrogen 2.976 N/A ASP 102.A N ASN 100.A OD1 no hydrogen 3.135 N/A ILE 103.A N ASN 100.A O no hydrogen 3.168 N/A GLN 104.A N ASN 100.A O no hydrogen 2.878 N/A GLN 104.A NE2 GLU 40.A OE1 no hydrogen 2.984 N/A THR 108.A N LYS 97.A O no hydrogen 2.747 N/A THR 108.A OG1 LYS 97.A O no hydrogen 3.456 N/A ILE 109.A N LYS 97.A O no hydrogen 3.020 N/A ILE 111.A N GLY 99.A O no hydrogen 3.027 N/A GLY 112.A N THR 115.A OG1 no hydrogen 2.895 N/A THR 115.A N GLY 112.A O no hydrogen 2.993 N/A THR 115.A OG1 VAL 65.A O no hydrogen 2.712 N/A THR 115.A OG1 GLY 112.A O no hydrogen 3.259 N/A GLU 116.A N ASP 66.A O no hydrogen 2.762 N/A VAL 117.A N GLU 116.A OE2 no hydrogen 2.865 N/A ILE 118.A N VAL 68.A O no hydrogen 3.054 N/A ALA 120.A N THR 70.A O no hydrogen 2.893 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 2.889 N/A LYS 123.A N ALA 120.A O no hydrogen 2.926 N/A ILE 124.A N TRP 418.A O no hydrogen 2.854 N/A VAL 125.A N LEU 73.A O no hydrogen 2.892 N/A THR 126.A N VAL 416.A O no hydrogen 2.955 N/A THR 126.A OG1 ALA 127.A O no hydrogen 3.250 N/A GLY 128.A N ASP 414.A O no hydrogen 3.175 N/A GLY 129.A N GLY 149.A O no hydrogen 2.755 N/A ILE 130.A N TYR 390.A O no hydrogen 2.772 N/A ASP 131.A N THR 152.A O no hydrogen 3.029 N/A ALA 133.A N ASP 131.A OD1 no hydrogen 3.296 N/A ILE 134.A N VAL 154.A O no hydrogen 3.161 N/A HIS 135.A N SER 344.A OG no hydrogen 2.891 N/A HIS 135.A ND1 THR 164.A O no hydrogen 2.842 N/A HIS 135.A NE2 ASP 343.A OD1 no hydrogen 2.701 N/A TRP 136.A N GLY 156.A O no hydrogen 3.025 N/A ILE 137.A N HIS 135.A O no hydrogen 2.772 N/A GLN 141.A NE2 HIS 135.A O no hydrogen 3.131 N/A GLN 141.A NE2 SER 344.A OG no hydrogen 2.820 N/A ALA 142.A N PRO 139.A O no hydrogen 3.170 N/A GLU 144.A N GLN 140.A O no hydrogen 3.327 N/A ALA 145.A N GLN 141.A O no hydrogen 2.935 N/A LEU 146.A N ALA 142.A O no hydrogen 2.908 N/A VAL 147.A N GLU 143.A O no hydrogen 2.982 N/A SER 148.A N GLU 144.A O no hydrogen 3.319 N/A SER 148.A N ALA 145.A O no hydrogen 3.133 N/A SER 148.A OG ALA 145.A O no hydrogen 2.738 N/A GLY 149.A N LEU 146.A O no hydrogen 3.048 N/A VAL 150.A N ALA 145.A O no hydrogen 2.941 N/A THR 151.A N GLY 129.A O no hydrogen 2.894 N/A THR 152.A N GLY 129.A O no hydrogen 3.269 N/A MET 153.A N ASN 189.A O no hydrogen 2.833 N/A VAL 154.A N ASP 131.A O no hydrogen 2.850 N/A GLY 155.A N GLY 191.A O no hydrogen 3.268 N/A GLY 156.A N ILE 134.A O no hydrogen 3.095 N/A GLY 157.A N THR 170.A OG1 no hydrogen 3.048 N/A THR 158.A N THR 164.A OG1 no hydrogen 3.007 N/A ALA 161.A N GLY 159.A O no hydrogen 2.817 N/A HIS 165.A N ALA 161.A O no hydrogen 2.889 N/A ALA 166.A N ALA 162.A O no hydrogen 3.286 N/A THR 167.A N GLY 163.A O no hydrogen 2.882 N/A THR 167.A OG1 GLY 163.A O no hydrogen 2.891 N/A CYS 169.A SG THR 167.A OG1 no hydrogen 3.339 N/A THR 170.A N LEU 193.A O no hydrogen 2.995 N/A THR 170.A OG1 LEU 193.A O no hydrogen 3.267 N/A GLY 172.A N GLN 207.A OE1 no hydrogen 3.199 N/A ILE 176.A N GLY 172.A O no hydrogen 2.926 N/A SER 177.A N PRO 173.A O no hydrogen 2.945 N/A SER 177.A OG PRO 173.A O no hydrogen 2.740 N/A ARG 178.A N TRP 174.A O no hydrogen 3.018 N/A ARG 178.A NE GLN 181.A OE1 no hydrogen 3.167 N/A ARG 178.A NH1 GLN 181.A OE1 no hydrogen 2.831 N/A MET 179.A N TYR 175.A O no hydrogen 2.862 N/A LEU 180.A N ILE 176.A O no hydrogen 2.839 N/A GLN 181.A N SER 177.A O no hydrogen 3.090 N/A GLN 181.A NE2 LEU 488.A O no hydrogen 2.979 N/A ALA 182.A N ARG 178.A O no hydrogen 2.962 N/A ALA 183.A N MET 179.A O no hydrogen 2.952 N/A ASP 184.A N GLN 181.A O no hydrogen 3.347 N/A SER 185.A N ALA 182.A O no hydrogen 3.005 N/A SER 185.A OG ALA 182.A O no hydrogen 3.528 N/A LEU 186.A N ALA 183.A O no hydrogen 2.979 N/A ASN 189.A N THR 151.A O no hydrogen 2.811 N/A ASN 189.A ND2 THR 152.A OG1 no hydrogen 2.864 N/A ASN 189.A ND2 ASP 414.A OD2 no hydrogen 2.761 N/A ILE 190.A N LEU 472.A O no hydrogen 3.148 N/A GLY 191.A N MET 153.A O no hydrogen 3.320 N/A LEU 193.A N GLY 155.A O no hydrogen 2.829 N/A GLY 194.A N GLY 214.A O no hydrogen 2.955 N/A LYS 195.A N GLN 207.A OE1 no hydrogen 3.081 N/A ASN 197.A ND2 HIS 217.A O no hydrogen 2.896 N/A ASN 197.A ND2 GLY 221.A O no hydrogen 2.816 N/A VAL 198.A N GLY 196.A O no hydrogen 3.087 N/A ALA 203.A N GLN 200.A O no hydrogen 3.055 N/A LEU 204.A N PRO 201.A O no hydrogen 2.929 N/A ARG 205.A N PRO 201.A O no hydrogen 2.955 N/A ARG 205.A NE GLU 236.A OE2 no hydrogen 3.023 N/A ARG 205.A NH1 ASP 202.A OD1 no hydrogen 3.020 N/A ARG 205.A NH2 GLU 236.A OE1 no hydrogen 3.307 N/A GLU 206.A N ASP 202.A O no hydrogen 3.107 N/A GLN 207.A NE2 LYS 195.A O no hydrogen 2.904 N/A GLN 207.A NE2 ALA 203.A O no hydrogen 3.275 N/A VAL 208.A N LEU 204.A O no hydrogen 3.035 N/A ALA 209.A N ARG 205.A O no hydrogen 2.842 N/A ALA 210.A N GLU 206.A O no hydrogen 2.930 N/A ALA 210.A N GLN 207.A O no hydrogen 3.175 N/A GLY 211.A N GLN 207.A O no hydrogen 3.255 N/A GLY 211.A N VAL 208.A O no hydrogen 3.098 N/A VAL 212.A N GLN 207.A O no hydrogen 3.379 N/A ILE 213.A N LEU 192.A O no hydrogen 2.808 N/A LEU 215.A N GLN 240.A O no hydrogen 2.970 N/A HIS 217.A N ASN 197.A OD1 no hydrogen 2.924 N/A GLU 218.A N HIS 244.A O no hydrogen 3.057 N/A ASP 219.A N HIS 217.A ND1 no hydrogen 2.852 N/A TRP 220.A N HIS 217.A O no hydrogen 3.002 N/A TRP 220.A NE1 THR 167.A OG1 no hydrogen 3.100 N/A GLY 221.A N GLU 218.A O no hydrogen 3.003 N/A ALA 226.A N THR 223.A OG1 no hydrogen 3.307 N/A ILE 227.A N THR 223.A O no hydrogen 2.877 N/A ASP 228.A N PRO 224.A O no hydrogen 2.956 N/A CYS 229.A N ALA 225.A O no hydrogen 3.123 N/A CYS 229.A SG VAL 198.A O no hydrogen 3.399 N/A ALA 230.A N ALA 226.A O no hydrogen 2.963 N/A LEU 231.A N ILE 227.A O no hydrogen 3.075 N/A THR 232.A N ASP 228.A O no hydrogen 2.958 N/A THR 232.A OG1 ASP 228.A O no hydrogen 3.039 N/A VAL 233.A N CYS 229.A O no hydrogen 3.255 N/A ALA 234.A N ALA 230.A O no hydrogen 2.963 N/A ASP 235.A N LEU 231.A O no hydrogen 2.980 N/A GLU 236.A N THR 232.A O no hydrogen 3.291 N/A GLU 236.A N VAL 233.A O no hydrogen 3.158 N/A MET 237.A N VAL 233.A O no hydrogen 2.853 N/A ILE 239.A N ALA 234.A O no hydrogen 3.492 N/A GLN 240.A N ILE 213.A O no hydrogen 3.446 N/A GLN 240.A NE2 THR 397.A O no hydrogen 2.820 N/A GLN 240.A NE2 CYS 500.A O no hydrogen 3.038 N/A VAL 241.A N GLN 240.A OE1 no hydrogen 2.851 N/A ALA 242.A N LEU 215.A O no hydrogen 3.076 N/A LEU 243.A N HIS 267.A O no hydrogen 2.822 N/A HIS 244.A N ILE 216.A O no hydrogen 2.973 N/A HIS 244.A NE2 GLU 218.A OE2 no hydrogen 2.793 N/A THR 247.A N GLU 218.A OE1 no hydrogen 3.024 N/A THR 247.A OG1 GLU 218.A OE1 no hydrogen 3.325 N/A THR 247.A OG1 GLU 218.A OE2 no hydrogen 2.701 N/A THR 247.A OG1 GLY 277.A O no hydrogen 3.381 N/A ASN 249.A N ASP 246.A O no hydrogen 3.214 N/A ASN 249.A ND2 ALA 279.A O no hydrogen 2.902 N/A GLU 250.A N ASP 246.A OD1 no hydrogen 3.401 N/A SER 251.A N ASP 246.A OD2 no hydrogen 2.952 N/A SER 251.A OG ASP 246.A OD2 no hydrogen 2.842 N/A PHE 253.A N ASP 256.A OD2 no hydrogen 2.904 N/A GLU 255.A N GLU 255.A OE2 no hydrogen 2.886 N/A ASP 256.A N PHE 253.A O no hydrogen 2.964 N/A THR 257.A N PHE 253.A O no hydrogen 3.275 N/A THR 257.A OG1 HIS 278.A NE2 no hydrogen 2.607 N/A LEU 258.A N VAL 254.A O no hydrogen 2.877 N/A ALA 259.A N GLU 255.A O no hydrogen 2.964 N/A ALA 260.A N ASP 256.A O no hydrogen 2.941 N/A ILE 261.A N THR 257.A O no hydrogen 3.011 N/A GLY 262.A N LEU 258.A O no hydrogen 3.255 N/A ARG 264.A N ILE 261.A O no hydrogen 3.161 N/A ARG 264.A NE ILE 261.A O no hydrogen 2.821 N/A ARG 264.A NH1 ASP 228.A OD2 no hydrogen 3.090 N/A ARG 264.A NH2 ASP 228.A OD2 no hydrogen 2.843 N/A ARG 264.A NH2 ALA 260.A O no hydrogen 2.720 N/A ARG 264.A NH2 ILE 261.A O no hydrogen 3.531 N/A THR 265.A OG1 ARG 501.A O no hydrogen 2.778 N/A THR 265.A OG1 VAL 503.A O no hydrogen 3.203 N/A ILE 266.A N ASN 290.A O no hydrogen 3.151 N/A HIS 267.A N VAL 241.A O no hydrogen 2.896 N/A HIS 267.A ND1 HIS 398.A NE2 no hydrogen 3.108 N/A HIS 267.A NE2 SER 294.A OG no hydrogen 2.760 N/A THR 268.A N LEU 292.A O no hydrogen 3.032 N/A THR 268.A OG1 THR 271.A OG1 no hydrogen 2.886 N/A PHE 269.A N LEU 243.A O no hydrogen 2.992 N/A THR 271.A N SER 294.A O no hydrogen 2.874 N/A THR 271.A OG1 THR 268.A O no hydrogen 3.032 N/A THR 271.A OG1 THR 268.A OG1 no hydrogen 2.886 N/A THR 271.A OG1 SER 294.A O no hydrogen 3.266 N/A GLY 273.A N HIS 270.A O no hydrogen 2.999 N/A ALA 274.A N GLU 272.A OE1 no hydrogen 2.864 N/A GLY 276.A N GLY 273.A O no hydrogen 2.830 N/A GLY 277.A N THR 247.A OG1 no hydrogen 2.836 N/A HIS 278.A N SER 245.A OG no hydrogen 3.204 N/A HIS 278.A ND1 ASN 249.A OD1 no hydrogen 2.721 N/A HIS 278.A NE2 THR 257.A OG1 no hydrogen 2.607 N/A ALA 279.A N THR 247.A O no hydrogen 3.373 N/A ILE 282.A N HIS 278.A O no hydrogen 2.998 N/A THR 284.A N ASP 281.A O no hydrogen 3.077 N/A THR 284.A OG1 ASP 281.A O no hydrogen 2.811 N/A ALA 285.A N ILE 282.A O no hydrogen 3.053 N/A CYS 286.A N ILE 283.A O no hydrogen 3.455 N/A CYS 286.A SG ILE 283.A O no hydrogen 3.396 N/A ALA 287.A N THR 284.A O no hydrogen 3.278 N/A HIS 288.A N ALA 285.A O no hydrogen 3.117 N/A ASN 290.A ND2 ARG 264.A O no hydrogen 2.831 N/A ILE 291.A N HIS 288.A O no hydrogen 3.474 N/A LEU 292.A N ILE 266.A O no hydrogen 3.029 N/A SER 294.A N THR 268.A O no hydrogen 3.154 N/A SER 294.A OG HIS 267.A NE2 no hydrogen 2.760 N/A SER 294.A OG THR 268.A O no hydrogen 3.314 N/A SER 295.A N LEU 339.A O no hydrogen 3.023 N/A SER 295.A OG GLU 328.A OE1 no hydrogen 2.678 N/A ASN 297.A N SER 342.A O no hydrogen 3.403 N/A ASN 297.A ND2 ARG 349.A O no hydrogen 2.740 N/A THR 299.A OG1 GLU 328.A OE1 no hydrogen 3.519 N/A THR 299.A OG1 GLU 328.A OE2 no hydrogen 2.803 N/A LEU 300.A N ASN 297.A O no hydrogen 3.049 N/A TYR 302.A N ASP 329.A OD2 no hydrogen 2.889 N/A THR 303.A N THR 306.A OG1 no hydrogen 3.031 N/A THR 303.A OG1 THR 306.A OG1 no hydrogen 3.277 N/A LEU 304.A N ALA 538.A O no hydrogen 2.889 N/A THR 306.A N THR 303.A O no hydrogen 3.316 N/A THR 306.A OG1 THR 303.A O no hydrogen 3.327 N/A THR 306.A OG1 THR 303.A OG1 no hydrogen 3.277 N/A GLU 309.A N ASN 305.A O no hydrogen 3.011 N/A HIS 310.A N THR 306.A O no hydrogen 2.890 N/A HIS 310.A ND1 THR 306.A O no hydrogen 2.872 N/A LEU 311.A N ILE 307.A O no hydrogen 2.883 N/A MET 313.A N GLU 309.A O no hydrogen 2.972 N/A LEU 314.A N HIS 310.A O no hydrogen 2.873 N/A SER 318.A N PHE 315.A O no hydrogen 3.247 N/A SER 318.A OG PHE 315.A O no hydrogen 2.652 N/A ARG 319.A N PHE 315.A O no hydrogen 3.287 N/A ARG 319.A N ALA 316.A O no hydrogen 2.976 N/A ARG 319.A NE ALA 274.A O no hydrogen 2.844 N/A ARG 319.A NH2 ALA 274.A O no hydrogen 3.132 N/A ILE 320.A N ALA 316.A O no hydrogen 2.788 N/A ARG 321.A NE THR 324.A OG1 no hydrogen 3.054 N/A ARG 321.A NH1 SER 318.A O no hydrogen 2.619 N/A ARG 321.A NH2 GLU 272.A O no hydrogen 2.916 N/A ARG 322.A NH1 TYR 302.A OH no hydrogen 2.899 N/A GLU 323.A N GLU 323.A OE1 no hydrogen 2.868 N/A THR 324.A OG1 GLU 272.A OE2 no hydrogen 2.608 N/A THR 324.A OG1 ARG 321.A O no hydrogen 3.392 N/A ILE 325.A N ARG 321.A O no hydrogen 3.136 N/A ALA 326.A N ARG 322.A O no hydrogen 3.002 N/A GLU 328.A N THR 324.A O no hydrogen 3.036 N/A LEU 331.A N ALA 327.A O no hydrogen 2.954 N/A HIS 332.A N GLU 328.A O no hydrogen 3.108 N/A HIS 332.A NE2 LEU 339.A O no hydrogen 3.358 N/A ASP 333.A N ASP 329.A O no hydrogen 3.109 N/A LEU 334.A N VAL 330.A O no hydrogen 2.885 N/A GLY 335.A N HIS 332.A O no hydrogen 3.115 N/A ALA 336.A N LEU 331.A O no hydrogen 2.791 N/A PHE 337.A N LEU 331.A O no hydrogen 3.273 N/A SER 338.A N PRO 293.A O no hydrogen 2.953 N/A SER 338.A OG ASN 511.A O no hydrogen 2.878 N/A LEU 339.A N PRO 293.A O no hydrogen 3.341 N/A THR 340.A N LYS 389.A O no hydrogen 3.157 N/A THR 340.A OG1 THR 357.A OG1 no hydrogen 2.895 N/A SER 341.A N SER 295.A O no hydrogen 2.813 N/A SER 341.A OG SER 295.A O no hydrogen 2.966 N/A SER 342.A N ASP 131.A OD1 no hydrogen 3.027 N/A SER 342.A OG ASP 131.A OD1 no hydrogen 3.550 N/A SER 342.A OG ASP 131.A OD2 no hydrogen 2.577 N/A SER 344.A N ALA 133.A O no hydrogen 3.368 N/A SER 344.A OG HIS 135.A O no hydrogen 3.398 N/A GLN 345.A N GLY 348.A O no hydrogen 3.143 N/A GLN 345.A NE2 GLN 141.A OE1 no hydrogen 2.675 N/A ALA 346.A N ASP 343.A O no hydrogen 3.038 N/A ARG 349.A N ASN 297.A OD1 no hydrogen 2.876 N/A ARG 349.A NH1 GLU 309.A OE1 no hydrogen 3.378 N/A ARG 349.A NH2 GLU 309.A OE1 no hydrogen 2.692 N/A GLU 352.A N ARG 349.A O no hydrogen 3.000 N/A ARG 356.A N GLU 352.A O no hydrogen 3.087 N/A ARG 356.A NE GLU 352.A OE2 no hydrogen 2.821 N/A ARG 356.A NH1 ASN 297.A O no hydrogen 3.341 N/A ARG 356.A NH1 LEU 300.A O no hydrogen 3.000 N/A ARG 356.A NH2 GLU 352.A OE2 no hydrogen 3.039 N/A THR 357.A N VAL 353.A O no hydrogen 3.243 N/A THR 357.A OG1 THR 340.A OG1 no hydrogen 2.895 N/A THR 357.A OG1 VAL 353.A O no hydrogen 2.850 N/A TRP 358.A N ILE 354.A O no hydrogen 3.211 N/A TRP 358.A NE1 TYR 390.A OH no hydrogen 2.945 N/A GLN 359.A N LEU 355.A O no hydrogen 3.187 N/A GLN 359.A NE2 PRO 542.A O no hydrogen 2.876 N/A VAL 360.A N ARG 356.A O no hydrogen 3.095 N/A ALA 361.A N THR 357.A O no hydrogen 3.267 N/A HIS 362.A N TRP 358.A O no hydrogen 2.991 N/A ARG 363.A N GLN 359.A O no hydrogen 2.988 N/A ARG 363.A NH2 GLU 536.A O no hydrogen 2.951 N/A MET 364.A N VAL 360.A O no hydrogen 2.826 N/A LYS 365.A N ALA 361.A O no hydrogen 2.880 N/A LYS 365.A NZ GLU 26.A O no hydrogen 2.785 N/A LYS 365.A NZ ASP 379.A OD1 no hydrogen 3.513 N/A LYS 365.A NZ ASP 379.A OD2 no hydrogen 2.731 N/A VAL 366.A N HIS 362.A O no hydrogen 2.975 N/A GLN 367.A N ARG 363.A O no hydrogen 3.054 N/A GLN 367.A NE2 ARG 363.A O no hydrogen 3.126 N/A ARG 368.A N MET 364.A O no hydrogen 2.685 N/A ARG 368.A NE ASP 333.A OD2 no hydrogen 2.988 N/A ARG 368.A NH2 ASP 333.A OD2 no hydrogen 3.219 N/A GLY 369.A N LYS 365.A O no hydrogen 2.923 N/A GLU 373.A N GLU 373.A OE1 no hydrogen 2.778 N/A GLU 374.A N LEU 371.A O no hydrogen 2.994 N/A ASN 378.A ND2 THR 375.A O no hydrogen 3.435 N/A ASP 379.A N TRP 28.A O no hydrogen 2.827 N/A ASN 380.A ND2 GLU 30.A O no hydrogen 2.931 N/A ASN 380.A ND2 GLU 32.A OE2 no hydrogen 3.213 N/A PHE 381.A N GLU 374.A OE2 no hydrogen 3.031 N/A ARG 382.A N GLU 374.A OE1 no hydrogen 2.791 N/A ARG 382.A NE ASP 333.A OD1 no hydrogen 2.937 N/A ARG 382.A NH1 GLY 369.A O no hydrogen 2.735 N/A ARG 382.A NH2 ASP 333.A OD1 no hydrogen 3.517 N/A ARG 382.A NH2 ASP 333.A OD2 no hydrogen 2.774 N/A ARG 382.A NH2 GLY 369.A O no hydrogen 2.859 N/A VAL 383.A N ASP 379.A O no hydrogen 2.865 N/A LYS 384.A N ASN 380.A O no hydrogen 2.962 N/A LYS 384.A NZ GLU 32.A OE1 no hydrogen 3.543 N/A LYS 384.A NZ GLU 32.A OE2 no hydrogen 2.894 N/A ARG 385.A N PHE 381.A O no hydrogen 2.926 N/A ARG 385.A NE HIS 510.A O no hydrogen 2.762 N/A ARG 385.A NH1 ASP 333.A O no hydrogen 2.764 N/A ARG 385.A NH2 GLU 373.A OE2 no hydrogen 3.317 N/A ARG 385.A NH2 HIS 510.A O no hydrogen 3.335 N/A TYR 386.A N ARG 382.A O no hydrogen 3.139 N/A TYR 386.A OH ASP 333.A OD1 no hydrogen 2.729 N/A ILE 387.A N VAL 383.A O no hydrogen 2.981 N/A ALA 388.A N LYS 384.A O no hydrogen 3.367 N/A LYS 389.A N TYR 386.A O no hydrogen 3.061 N/A LYS 389.A NZ HIS 332.A O no hydrogen 2.947 N/A LYS 389.A NZ ASN 511.A OD1 no hydrogen 2.592 N/A TYR 390.A N ILE 387.A O no hydrogen 3.316 N/A THR 391.A OG1 ILE 387.A O no hydrogen 2.788 N/A ASN 393.A N ALA 388.A O no hydrogen 3.037 N/A ASN 393.A ND2 SER 338.A O no hydrogen 3.218 N/A ASN 393.A ND2 VAL 509.A O no hydrogen 3.207 N/A ALA 395.A N THR 391.A O no hydrogen 3.380 N/A LEU 396.A N ILE 392.A O no hydrogen 2.877 N/A THR 397.A N ASN 393.A O no hydrogen 3.004 N/A THR 397.A OG1 ASN 393.A O no hydrogen 2.870 N/A HIS 398.A N PRO 394.A O no hydrogen 3.214 N/A HIS 398.A NE2 HIS 267.A ND1 no hydrogen 3.108 N/A GLY 399.A N LEU 396.A O no hydrogen 3.365 N/A ILE 400.A N ALA 395.A O no hydrogen 3.011 N/A GLU 403.A N ILE 400.A O no hydrogen 2.985 N/A VAL 404.A N ILE 400.A O no hydrogen 3.163 N/A SER 406.A OG GLU 408.A OE1 no hydrogen 2.632 N/A ILE 407.A N ASP 76.A OD2 no hydrogen 2.910 N/A GLY 410.A N ILE 92.A O no hydrogen 2.702 N/A LYS 411.A N GLU 408.A O no hydrogen 3.255 N/A LYS 411.A NZ ALA 401.A O no hydrogen 2.984 N/A LYS 411.A NZ VAL 404.A O no hydrogen 3.218 N/A LYS 411.A NZ SER 406.A OG no hydrogen 2.753 N/A LEU 412.A N GLU 403.A O no hydrogen 2.777 N/A ALA 413.A N GLY 90.A O no hydrogen 2.831 N/A ASP 414.A N LEU 412.A O no hydrogen 2.906 N/A LEU 415.A N ILE 431.A O no hydrogen 3.040 N/A VAL 416.A N THR 126.A O no hydrogen 2.904 N/A VAL 417.A N THR 429.A O no hydrogen 2.918 N/A TRP 418.A N ILE 124.A O no hydrogen 2.777 N/A TRP 418.A NE1 THR 126.A OG1 no hydrogen 2.918 N/A PHE 422.A N SER 419.A O no hydrogen 2.953 N/A PHE 423.A N PRO 420.A O no hydrogen 3.372 N/A VAL 425.A N PHE 422.A O no hydrogen 2.879 N/A LYS 426.A N PHE 422.A O no hydrogen 3.178 N/A LYS 426.A NZ TYR 547.A O no hydrogen 2.745 N/A ALA 428.A N VAL 417.A O no hydrogen 2.735 N/A THR 429.A N VAL 417.A O no hydrogen 3.314 N/A VAL 430.A N ILE 438.A O no hydrogen 3.161 N/A ILE 431.A N LEU 415.A O no hydrogen 2.759 N/A LYS 432.A N MET 435.A O no hydrogen 2.703 N/A LYS 432.A NZ ASN 189.A OD1 no hydrogen 2.893 N/A LYS 432.A NZ ASP 414.A OD1 no hydrogen 2.936 N/A LYS 432.A NZ ASP 414.A OD2 no hydrogen 3.423 N/A LYS 432.A NZ CYS 470.A O no hydrogen 2.712 N/A GLY 433.A N ASP 414.A OD1 no hydrogen 2.981 N/A GLY 434.A N ALA 413.A O no hydrogen 3.339 N/A MET 435.A N LYS 432.A O no hydrogen 3.020 N/A ALA 437.A N VAL 430.A O no hydrogen 2.779 N/A ALA 439.A N ARG 457.A O no hydrogen 3.408 N/A MET 441.A N HIS 455.A O no hydrogen 2.892 N/A GLY 442.A N PRO 449.A O no hydrogen 2.864 N/A ASP 443.A N PRO 451.A O no hydrogen 2.973 N/A ASN 445.A N ASP 443.A OD1 no hydrogen 3.249 N/A ALA 446.A N ASP 443.A O no hydrogen 3.164 N/A HIS 455.A N MET 441.A O no hydrogen 3.185 N/A TYR 456.A OH PRO 427.A O no hydrogen 2.660 N/A ARG 457.A N ALA 439.A O no hydrogen 3.101 N/A ARG 457.A NE MET 441.A O no hydrogen 3.066 N/A ARG 457.A NH1 MET 441.A O no hydrogen 3.108 N/A ARG 457.A NH1 PRO 453.A O no hydrogen 3.183 N/A MET 459.A N ALA 437.A O no hydrogen 2.908 N/A GLY 461.A N ILE 436.A O no hydrogen 3.037 N/A ALA 462.A N MET 459.A O no hydrogen 3.025 N/A LEU 463.A N PHE 460.A O no hydrogen 3.179 N/A ARG 467.A N LEU 463.A O no hydrogen 3.024 N/A ARG 467.A NE ALA 462.A O no hydrogen 3.361 N/A ARG 467.A NH1 ASP 184.A O no hydrogen 2.814 N/A ARG 467.A NH2 ALA 462.A O no hydrogen 3.398 N/A HIS 468.A N GLY 464.A O no hydrogen 3.244 N/A HIS 469.A N SER 465.A O no hydrogen 3.280 N/A CYS 470.A N ARG 467.A O no hydrogen 2.990 N/A CYS 470.A SG GLY 433.A O no hydrogen 3.842 N/A CYS 470.A SG ALA 466.A O no hydrogen 3.266 N/A ARG 471.A NE LEU 186.A O no hydrogen 2.823 N/A ARG 471.A NE VAL 188.A O no hydrogen 3.202 N/A ARG 471.A NH1 THR 473.A OG1 no hydrogen 2.809 N/A ARG 471.A NH1 SER 492.A OG no hydrogen 2.821 N/A ARG 471.A NH2 VAL 188.A O no hydrogen 3.050 N/A ARG 471.A NH2 THR 473.A OG1 no hydrogen 3.425 N/A LEU 472.A N ASN 189.A OD1 no hydrogen 2.982 N/A THR 473.A N ALA 493.A O no hydrogen 2.846 N/A PHE 474.A N ILE 190.A O no hydrogen 2.941 N/A LEU 475.A N ALA 495.A O no hydrogen 2.794 N/A SER 476.A OG VAL 208.A O no hydrogen 2.652 N/A GLN 477.A NE2 ASP 238.A OD2 no hydrogen 2.833 N/A GLN 477.A NE2 VAL 497.A O no hydrogen 3.040 N/A ALA 479.A N SER 476.A OG no hydrogen 3.266 N/A ALA 480.A N SER 476.A O no hydrogen 3.082 N/A ALA 481.A N GLN 477.A O no hydrogen 3.014 N/A ASN 482.A N ALA 478.A O no hydrogen 2.965 N/A GLY 483.A N ALA 480.A O no hydrogen 3.155 N/A VAL 484.A N ALA 479.A O no hydrogen 3.147 N/A ARG 487.A N GLY 483.A O no hydrogen 3.010 N/A ARG 487.A NH1 ASN 482.A O no hydrogen 2.671 N/A LEU 488.A N VAL 484.A O no hydrogen 2.932 N/A LEU 490.A N ALA 485.A O no hydrogen 2.794 N/A ARG 491.A N ASP 184.A OD1 no hydrogen 2.957 N/A SER 492.A N ASP 184.A OD2 no hydrogen 3.043 N/A SER 492.A OG ASP 184.A OD2 no hydrogen 2.576 N/A ALA 493.A N HIS 468.A O no hydrogen 3.225 N/A ALA 495.A N THR 473.A O no hydrogen 3.019 N/A VAL 497.A N LEU 475.A O no hydrogen 3.123 N/A LYS 498.A N GLY 399.A O no hydrogen 3.061 N/A GLY 499.A N ASP 238.A OD2 no hydrogen 3.070 N/A CYS 500.A N ASP 238.A OD1 no hydrogen 3.032 N/A CYS 500.A SG ASP 238.A O no hydrogen 3.746 N/A ARG 501.A NH1 ASP 235.A OD1 no hydrogen 2.897 N/A ARG 501.A NH1 THR 265.A O no hydrogen 3.272 N/A ARG 501.A NH2 THR 265.A O no hydrogen 2.900 N/A GLN 504.A N ASP 507.A OD2 no hydrogen 3.027 N/A LYS 505.A N PRO 289.A O no hydrogen 2.783 N/A LYS 505.A NZ ALA 336.A O no hydrogen 2.731 N/A LYS 505.A NZ LEU 513.A O no hydrogen 2.760 N/A ASP 507.A N GLN 504.A O no hydrogen 2.845 N/A MET 508.A N LYS 505.A O no hydrogen 3.013 N/A VAL 509.A N ASN 393.A OD1 no hydrogen 2.782 N/A HIS 510.A NE2 HIS 77.A O no hydrogen 2.910 N/A ASN 511.A N MET 508.A O no hydrogen 3.118 N/A ASN 511.A ND2 ARG 385.A O no hydrogen 2.925 N/A ASN 511.A ND2 VAL 509.A O no hydrogen 2.846 N/A LEU 513.A N GLY 335.A O no hydrogen 3.182 N/A GLN 514.A NE2 ALA 287.A O no hydrogen 3.356 N/A ASN 516.A ND2 ASP 529.A OD1 no hydrogen 3.396 N/A THR 518.A N ARG 527.A O no hydrogen 2.766 N/A THR 518.A OG1 ARG 527.A O no hydrogen 3.506 N/A ASP 520.A N GLU 525.A O no hydrogen 2.985 N/A GLN 522.A N ASP 520.A OD2 no hydrogen 2.915 N/A THR 523.A N ASP 520.A OD2 no hydrogen 3.061 N/A THR 523.A OG1 GLU 525.A OE1 no hydrogen 3.458 N/A TYR 524.A N ASP 520.A O no hydrogen 2.758 N/A ARG 527.A N THR 518.A O no hydrogen 2.845 N/A ARG 527.A NH1 GLY 530.A O no hydrogen 2.964 N/A VAL 528.A N GLU 531.A O no hydrogen 2.864 N/A ASP 529.A N ASN 516.A O no hydrogen 2.897 N/A GLU 531.A N VAL 528.A O no hydrogen 2.938 N/A ILE 533.A N VAL 526.A O no hydrogen 2.960 N/A SER 535.A OG ALA 326.A O no hydrogen 2.795 N/A GLU 536.A N GLN 367.A OE1 no hydrogen 2.905 N/A ALA 538.A N TYR 302.A O no hydrogen 3.075 N/A MET 543.A N ASP 24.A OD1 no hydrogen 2.896 N/A ARG 546.A NH1 ASP 24.A OD2 no hydrogen 2.732 N/A TYR 547.A N ALA 544.A O no hydrogen 3.018 N/A TYR 547.A OH ALA 421.A O no hydrogen 2.705 N/A