Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2i0k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N GLN 17.A OE1 no hydrogen 3.266 N/A ASP 12.A N ASP 12.A OD1 no hydrogen 2.720 N/A ILE 13.A N PRO 10.A O no hydrogen 3.215 N/A PHE 16.A N VAL 34.A O no hydrogen 2.951 N/A GLN 17.A NE2 ALA 1.A O no hydrogen 3.305 N/A GLN 18.A N THR 32.A O no hydrogen 3.036 N/A TYR 20.A N LEU 29.A O no hydrogen 2.922 N/A ASN 22.A N ILE 27.A O no hydrogen 2.996 N/A ASN 22.A ND2 TRP 66.A O no hydrogen 3.001 N/A TRP 23.A N GLY 65.A O no hydrogen 2.946 N/A SER 24.A OG ASN 22.A OD1 no hydrogen 3.569 N/A SER 24.A OG GLU 26.A OE1 no hydrogen 2.670 N/A LYS 25.A N ASN 22.A O no hydrogen 3.078 N/A ILE 27.A N ASN 22.A OD1 no hydrogen 2.947 N/A LEU 29.A N TYR 20.A O no hydrogen 2.815 N/A THR 32.A N GLN 18.A O no hydrogen 2.787 N/A THR 32.A OG1 GLN 18.A O no hydrogen 2.824 N/A TRP 33.A NE1 PRO 4.A O no hydrogen 3.118 N/A VAL 34.A N PHE 16.A O no hydrogen 2.827 N/A CYS 35.A N LEU 82.A O no hydrogen 2.939 N/A CYS 35.A SG LEU 82.A O no hydrogen 4.022 N/A SER 36.A OG ASP 84.A OD1.A no hydrogen 2.725 N/A THR 39.A N ASP 42.A OD2 no hydrogen 3.153 N/A THR 39.A OG1 GLN 41.A OE1.A no hydrogen 3.428 N/A THR 39.A OG1 ASP 42.A OD2 no hydrogen 3.092 N/A ASP 42.A N THR 39.A O no hydrogen 3.055 N/A ASP 42.A N THR 39.A OG1 no hydrogen 3.321 N/A VAL 44.A N PRO 40.A O no hydrogen 3.227 N/A ARG 45.A N GLN 41.A O no hydrogen 3.013 N/A ARG 45.A NH1 ASP 12.A OD1 no hydrogen 3.255 N/A ARG 45.A NH1 ASP 12.A OD2 no hydrogen 3.084 N/A ARG 45.A NH1 ASP 42.A OD1 no hydrogen 3.019 N/A ARG 45.A NH2 ASP 12.A OD1 no hydrogen 2.750 N/A LEU 46.A N ASP 42.A O no hydrogen 2.957 N/A ALA 47.A N VAL 43.A O no hydrogen 2.915 N/A ASN 48.A N VAL 44.A O no hydrogen 3.037 N/A ASN 48.A ND2 TYR 182.A O no hydrogen 3.151 N/A TRP 49.A N ARG 45.A O no hydrogen 2.966 N/A TRP 49.A NE1 PRO 7.A O no hydrogen 2.930 N/A ALA 50.A N LEU 46.A O no hydrogen 2.845 N/A HIS 51.A N ALA 47.A O no hydrogen 2.947 N/A GLU 52.A N ASN 48.A O no hydrogen 3.019 N/A HIS 53.A N ALA 50.A O no hydrogen 3.187 N/A HIS 53.A ND1 TRP 49.A O no hydrogen 2.904 N/A ASP 54.A N HIS 51.A O no hydrogen 3.476 N/A TYR 55.A N ALA 50.A O no hydrogen 2.915 N/A LYS 56.A N LYS 79.A O no hydrogen 2.988 N/A LYS 56.A NZ ARG 524.A O no hydrogen 2.849 N/A ILE 57.A N VAL 525.A O no hydrogen 2.939 N/A ARG 58.A N ILE 81.A O no hydrogen 3.068 N/A ARG 58.A NE LEU 69.A O no hydrogen 3.018 N/A ARG 58.A NH1 ILE 57.A O no hydrogen 3.055 N/A ARG 58.A NH1 GLY 202.A O no hydrogen 3.169 N/A ARG 58.A NH2 LEU 69.A O no hydrogen 2.824 N/A ARG 58.A NH2 GLY 202.A O no hydrogen 2.842 N/A ARG 60.A N ALA 83.A O no hydrogen 2.890 N/A ARG 60.A NH1 GLN 18.A OE1 no hydrogen 2.929 N/A ARG 60.A NH2 GLN 18.A OE1 no hydrogen 3.209 N/A TRP 66.A NE1 LEU 353.A O no hydrogen 2.885 N/A LEU 69.A N THR 67.A OG1 no hydrogen 3.269 N/A ALA 75.A N GLU 72.A O no hydrogen 3.244 N/A GLU 78.A N ASN 76.A OD1 no hydrogen 2.960 N/A VAL 80.A N VAL 77.A O no hydrogen 3.359 N/A ILE 81.A N LYS 56.A O no hydrogen 2.938 N/A LEU 82.A N TRP 33.A O no hydrogen 2.874 N/A ALA 83.A N ARG 58.A O no hydrogen 2.845 N/A ASP 84.A N CYS 35.A O no hydrogen 2.818 N/A THR 85.A N ARG 60.A O no hydrogen 3.142 N/A THR 85.A OG1 ARG 60.A O no hydrogen 3.367 N/A MET 86.A N ASP 84.A OD1.B no hydrogen 2.975 N/A MET 86.A N ASP 84.A OD2.A no hydrogen 3.028 N/A THR 87.A N ASP 84.A OD1.A no hydrogen 3.339 N/A THR 87.A OG1 ASP 84.A OD1.A no hydrogen 2.498 N/A THR 87.A OG1 ASP 84.A OD2.B no hydrogen 3.294 N/A LEU 89.A N THR 85.A O no hydrogen 2.983 N/A ASN 90.A ND2 MET 86.A O no hydrogen 2.924 N/A ASN 90.A ND2 THR 87.A O no hydrogen 3.088 N/A THR 93.A N THR 104.A O no hydrogen 2.919 N/A ASN 95.A N THR 102.A O no hydrogen 2.804 N/A THR 102.A N ASN 95.A O no hydrogen 3.013 N/A THR 102.A OG1 ASN 95.A OD1 no hydrogen 2.901 N/A VAL 103.A N MET 211.A O no hydrogen 2.879 N/A THR 104.A N THR 93.A O no hydrogen 2.843 N/A THR 104.A OG1 ASN 95.A OD1 no hydrogen 3.111 N/A THR 104.A OG1 THR 210.A OG1 no hydrogen 2.904 N/A ALA 105.A N VAL 209.A O no hydrogen 2.835 N/A GLY 106.A N GLY 91.A O no hydrogen 2.873 N/A ALA 107.A N THR 207.A O no hydrogen 3.015 N/A GLY 108.A N LEU 89.A O no hydrogen 2.817 N/A ALA 109.A N GLY 106.A O no hydrogen 3.077 N/A ILE 111.A N LEU 134.A O no hydrogen 2.867 N/A GLU 112.A N GLY 132.A O no hydrogen 3.057 N/A ALA 113.A N SER 110.A OG no hydrogen 2.963 N/A ILE 114.A N SER 110.A O no hydrogen 3.046 N/A VAL 115.A N ILE 111.A O no hydrogen 3.003 N/A THR 116.A N GLU 112.A O no hydrogen 2.911 N/A THR 116.A OG1 GLU 112.A O no hydrogen 2.702 N/A GLU 117.A N ALA 113.A O no hydrogen 3.126 N/A LEU 118.A N ILE 114.A O no hydrogen 2.969 N/A GLN 119.A N VAL 115.A O no hydrogen 2.981 N/A LYS 120.A N GLU 117.A O no hydrogen 3.155 N/A HIS 121.A N LEU 118.A O no hydrogen 2.980 N/A HIS 121.A NE2 GLU 117.A OE2 no hydrogen 3.266 N/A ASP 122.A N GLN 119.A O no hydrogen 3.106 N/A LEU 123.A N LEU 118.A O no hydrogen 2.919 N/A GLY 124.A N GLY 214.A O no hydrogen 2.936 N/A TRP 125.A NE1 GLN 212.A O no hydrogen 3.067 N/A ASN 127.A ND2 GLY 163.A O no hydrogen 2.919 N/A LEU 128.A N GLN 343.A OE1 no hydrogen 2.930 N/A GLY 132.A N TYR 285.A OH no hydrogen 3.025 N/A ILE 136.A N ALA 109.A O no hydrogen 2.904 N/A GLY 137.A N ALA 107.A O no hydrogen 2.969 N/A GLY 138.A N SER 135.A OG no hydrogen 2.950 N/A ALA 139.A N SER 135.A O no hydrogen 2.918 N/A LEU 140.A N ILE 136.A O no hydrogen 2.919 N/A ALA 141.A N GLY 137.A O no hydrogen 3.122 N/A VAL 142.A N ALA 139.A O no hydrogen 3.335 N/A ASN 143.A N LEU 140.A O no hydrogen 3.182 N/A ASN 143.A ND2 ASN 143.A O no hydrogen 2.662 N/A ALA 144.A N ALA 139.A O no hydrogen 2.957 N/A HIS 145.A ND1 GLY 146.A O no hydrogen 2.891 N/A HIS 145.A NE2 GLU 474.A OE2 no hydrogen 2.862 N/A ALA 148.A N ASN 127.A OD1 no hydrogen 3.057 N/A ALA 151.A N GLN 154.A OE1 no hydrogen 2.886 N/A VAL 152.A N ALA 248.A O no hydrogen 2.934 N/A GLN 154.A N ALA 151.A O no hydrogen 2.934 N/A HIS 160.A N LEU 157.A O no hydrogen 2.989 N/A THR 161.A OG1 ASP 409.A OD2 no hydrogen 2.659 N/A GLY 163.A N THR 161.A OG1 no hydrogen 3.163 N/A SER 164.A N ASP 405.A OD1 no hydrogen 2.903 N/A SER 164.A OG ASP 405.A OD1 no hydrogen 2.869 N/A SER 164.A OG ASP 405.A OD2 no hydrogen 3.498 N/A SER 164.A OG THR 423.A OG1 no hydrogen 3.405 N/A LEU 165.A N ALA 144.A O no hydrogen 3.009 N/A SER 166.A OG LEU 140.A O no hydrogen 3.066 N/A SER 166.A OG LEU 198.A O no hydrogen 2.891 N/A SER 166.A OG THR 199.A OG1 no hydrogen 2.987 N/A ASN 167.A N SER 164.A O no hydrogen 3.042 N/A ASN 167.A ND2 THR 161.A OG1 no hydrogen 3.140 N/A ASN 167.A ND2 GLN 406.A O no hydrogen 3.117 N/A LEU 168.A N LEU 165.A O no hydrogen 2.998 N/A THR 170.A N THR 210.A O no hydrogen 2.827 N/A THR 170.A OG1 THR 210.A O no hydrogen 3.282 N/A GLU 171.A N THR 210.A O no hydrogen 3.473 N/A LEU 172.A N TYR 187.A O no hydrogen 3.057 N/A THR 173.A N SER 208.A O no hydrogen 2.964 N/A THR 173.A OG1 THR 186.A OG1 no hydrogen 2.801 N/A ALA 174.A N GLU 185.A O no hydrogen 2.986 N/A VAL 175.A N PHE 205.A O no hydrogen 3.099 N/A VAL 176.A N ALA 183.A O no hydrogen 2.850 N/A TRP 177.A N ILE 520.A O no hydrogen 2.826 N/A ASN 178.A N THR 181.A O no hydrogen 2.964 N/A THR 180.A N ASN 178.A OD1 no hydrogen 2.955 N/A THR 180.A OG1.A ASN 178.A OD1 no hydrogen 3.193 N/A THR 181.A N ASN 178.A OD1 no hydrogen 3.018 N/A THR 181.A OG1 TYR 182.A O no hydrogen 3.482 N/A TYR 182.A N ASN 48.A OD1 no hydrogen 2.904 N/A TYR 182.A OH ASP 521.A OD1 no hydrogen 2.553 N/A ALA 183.A N VAL 176.A O no hydrogen 2.905 N/A GLU 185.A N ALA 174.A O no hydrogen 3.019 N/A THR 186.A OG1 THR 173.A OG1 no hydrogen 2.801 N/A TYR 187.A N LEU 172.A O no hydrogen 2.918 N/A GLN 188.A NE2 GLU 171.A OE1.A no hydrogen 2.616 N/A GLN 188.A NE2 GLU 171.A OE2.B no hydrogen 3.185 N/A ARG 189.A N THR 170.A O no hydrogen 2.991 N/A ARG 189.A NE GLY 416.A O no hydrogen 3.049 N/A ARG 189.A NH1 ASN 167.A O no hydrogen 2.927 N/A ARG 189.A NH1 VAL 169.A O no hydrogen 2.859 N/A ARG 189.A NH2 ASN 167.A OD1 no hydrogen 3.028 N/A ARG 189.A NH2 GLY 416.A O no hydrogen 2.968 N/A ASP 191.A N GLN 188.A O no hydrogen 3.020 N/A ARG 193.A N ASP 191.A OD1 no hydrogen 3.065 N/A ARG 193.A NE ASP 191.A OD1 no hydrogen 3.220 N/A ARG 193.A NE ASP 191.A OD2 no hydrogen 3.226 N/A ARG 193.A NH2 ASP 191.A OD2 no hydrogen 2.889 N/A ILE 194.A N ASP 191.A O no hydrogen 2.985 N/A THR 195.A OG1 PRO 192.A O no hydrogen 3.439 N/A THR 195.A OG1 THR 419.A OG1 no hydrogen 3.334 N/A THR 195.A OG1 GLU 508.A OE2 no hydrogen 2.667 N/A LEU 197.A N ILE 194.A O no hydrogen 2.849 N/A LEU 198.A N THR 195.A O no hydrogen 3.405 N/A THR 199.A OG1 SER 166.A OG no hydrogen 2.987 N/A ASN 200.A ND2 LEU 197.A O no hydrogen 2.971 N/A LEU 201.A N ALA 141.A O no hydrogen 2.969 N/A GLY 202.A N ASN 200.A OD1 no hydrogen 2.971 N/A ARG 203.A N ASN 200.A O no hydrogen 2.892 N/A ARG 203.A NH1 ARG 203.A O no hydrogen 2.920 N/A ARG 203.A NH1 ASP 521.A OD2 no hydrogen 2.770 N/A ARG 203.A NH2 ASN 518.A OD1 no hydrogen 3.183 N/A ARG 203.A NH2 ASP 521.A O no hydrogen 3.153 N/A THR 207.A N THR 173.A O no hydrogen 2.905 N/A THR 207.A OG1 THR 173.A O no hydrogen 3.369 N/A SER 208.A OG.B ALA 105.A O no hydrogen 3.452 N/A VAL 209.A N ALA 105.A O no hydrogen 2.931 N/A THR 210.A N GLU 171.A O no hydrogen 2.852 N/A THR 210.A OG1 THR 104.A OG1 no hydrogen 2.904 N/A THR 210.A OG1 GLU 171.A OE1.B no hydrogen 3.337 N/A MET 211.A N VAL 103.A O no hydrogen 2.887 N/A GLN 212.A N LEU 168.A O no hydrogen 2.900 N/A GLN 212.A NE2 GLY 159.A O no hydrogen 2.962 N/A GLN 212.A NE2 ASP 409.A O no hydrogen 2.784 N/A ALA 213.A N ALA 101.A O no hydrogen 2.943 N/A GLY 214.A N GLY 124.A O no hydrogen 3.195 N/A ASN 216.A N ASP 122.A O no hydrogen 2.995 N/A PHE 217.A N ASN 216.A OD1 no hydrogen 2.969 N/A GLN 219.A N GLY 337.A O no hydrogen 2.854 N/A ARG 220.A N THR 270.A O no hydrogen 2.823 N/A ARG 220.A NE ASP 334.A OD1 no hydrogen 2.813 N/A ARG 220.A NH2 ASP 334.A OD2 no hydrogen 2.814 N/A CYS 221.A N ILE 335.A O no hydrogen 2.838 N/A CYS 221.A SG TYR 287.A OH no hydrogen 3.285 N/A GLN 222.A N VAL 268.A O no hydrogen 2.903 N/A SER 223.A N ASN 333.A O no hydrogen 2.780 N/A TYR 224.A N MET 266.A O no hydrogen 2.831 N/A TRP 229.A N GLU 262.A O no hydrogen 2.920 N/A ARG 230.A NH1.B GLU 376.A OE1.B no hydrogen 2.823 N/A GLU 231.A N PRO 228.A O no hydrogen 3.024 N/A LEU 232.A N PRO 228.A O no hydrogen 3.047 N/A PHE 233.A N TRP 229.A O no hydrogen 2.903 N/A LYS 236.A NZ.B ALA 365.A O no hydrogen 2.802 N/A GLY 237.A N GLU 244.A OE2 no hydrogen 2.756 N/A ALA 238.A N PRO 235.A O no hydrogen 3.201 N/A ARG 241.A N GLU 231.A OE1 no hydrogen 2.837 N/A ARG 241.A NE GLU 231.A OE1 no hydrogen 2.921 N/A ARG 241.A NH1 ASP 226.A O no hydrogen 3.501 N/A ARG 241.A NH2 GLU 231.A OE2 no hydrogen 2.984 N/A THR 242.A N GLY 240.A O no hydrogen 3.084 N/A PHE 243.A N LEU 232.A O no hydrogen 2.855 N/A LYS 245.A N THR 242.A OG1 no hydrogen 3.333 N/A LYS 245.A NZ GLY 240.A O no hydrogen 2.800 N/A PHE 246.A N THR 242.A O no hydrogen 3.213 N/A VAL 247.A N PHE 243.A O no hydrogen 3.069 N/A ALA 248.A N GLU 244.A O no hydrogen 2.998 N/A GLU 249.A N LYS 245.A O no hydrogen 2.978 N/A SER 250.A N PHE 246.A O no hydrogen 2.913 N/A SER 250.A OG THR 270.A OG1 no hydrogen 2.725 N/A ALA 253.A N ALA 147.A O no hydrogen 3.325 N/A GLU 254.A N LYS 267.A O no hydrogen 2.928 N/A ALA 255.A N ILE 399.A O no hydrogen 2.854 N/A ILE 256.A N TRP 265.A O no hydrogen 2.858 N/A TRP 257.A N VAL 397.A O no hydrogen 2.789 N/A TRP 257.A NE1 THR 261.A O no hydrogen 2.994 N/A THR 261.A OG1 TYR 258.A O no hydrogen 2.662 N/A LYS 263.A NZ.B TYR 320.A OH no hydrogen 3.147 N/A TRP 265.A N ILE 256.A O no hydrogen 2.831 N/A TRP 265.A NE1 SER 223.A OG no hydrogen 3.012 N/A MET 266.A N TYR 224.A O no hydrogen 2.859 N/A LYS 267.A N GLU 254.A O no hydrogen 2.823 N/A LYS 267.A NZ GLU 254.A OE1 no hydrogen 2.820 N/A VAL 268.A N GLN 222.A O no hydrogen 2.890 N/A TRP 269.A N GLY 252.A O no hydrogen 2.896 N/A TRP 269.A NE1 VAL 342.A O no hydrogen 2.927 N/A THR 270.A N ARG 220.A O no hydrogen 2.922 N/A THR 270.A OG1 SER 250.A OG no hydrogen 2.725 N/A SER 272.A N ARG 218.A O no hydrogen 3.202 N/A SER 272.A OG GLY 273.A O no hydrogen 3.543 N/A LYS 274.A NZ PRO 275.A O no hydrogen 3.032 N/A LYS 274.A NZ ALA 278.A O no hydrogen 2.745 N/A GLN 277.A N GLN 277.A OE1.B no hydrogen 3.055 N/A ALA 278.A N PRO 275.A O no hydrogen 3.132 N/A ARG 279.A N ASP 334.A O no hydrogen 2.888 N/A ARG 279.A NE ASN 331.A O no hydrogen 2.857 N/A ARG 279.A NH2 ASN 331.A O no hydrogen 3.258 N/A VAL 281.A N TRP 336.A O no hydrogen 2.950 N/A TYR 285.A N PHE 344.A O no hydrogen 3.019 N/A TYR 285.A OH GLU 112.A OE1 no hydrogen 2.699 N/A ASN 286.A ND2 GLY 283.A O no hydrogen 2.903 N/A SER 290.A N TYR 287.A O no hydrogen 3.073 N/A SER 290.A OG TYR 287.A O no hydrogen 2.872 N/A ASN 292.A ND2 ILE 288.A O no hydrogen 2.958 N/A THR 298.A N PRO 294.A O no hydrogen 3.064 N/A THR 298.A OG1 PRO 294.A O no hydrogen 3.250 N/A THR 298.A OG1 GLU 295.A O no hydrogen 3.119 N/A ASP 299.A N GLU 295.A O no hydrogen 2.837 N/A MET 300.A N PRO 296.A O no hydrogen 3.316 N/A ILE 301.A N ILE 297.A O no hydrogen 2.965 N/A GLY 302.A N THR 298.A O no hydrogen 2.867 N/A ALA 303.A N ASP 299.A O no hydrogen 2.892 N/A ILE 304.A N MET 300.A O no hydrogen 2.838 N/A ASN 305.A N ILE 301.A O no hydrogen 2.908 N/A ALA 306.A N GLY 302.A O no hydrogen 2.963 N/A ALA 306.A N ALA 303.A O no hydrogen 3.242 N/A GLY 307.A N ILE 304.A O no hydrogen 3.052 N/A ASN 308.A N ALA 303.A O no hydrogen 3.145 N/A ASN 308.A ND2 ALA 303.A O no hydrogen 2.964 N/A ILE 311.A N ASN 308.A O no hydrogen 3.271 N/A ALA 312.A N PRO 309.A O no hydrogen 3.098 N/A LEU 314.A N ILE 311.A O no hydrogen 2.875 N/A PHE 315.A N ILE 311.A O no hydrogen 2.913 N/A GLY 316.A N ALA 312.A O no hydrogen 3.079 N/A ALA 318.A N LEU 314.A O no hydrogen 3.116 N/A MET 319.A N PHE 315.A O no hydrogen 2.933 N/A TYR 320.A N GLY 316.A O no hydrogen 2.967 N/A TYR 320.A OH THR 225.A O no hydrogen 2.624 N/A GLU 321.A N PRO 317.A O no hydrogen 2.907 N/A ILE 322.A N ALA 318.A O no hydrogen 3.067 N/A THR 323.A N MET 319.A O no hydrogen 3.194 N/A THR 323.A OG1 MET 319.A O no hydrogen 2.981 N/A LYS 324.A N TYR 320.A O no hydrogen 2.897 N/A LEU 325.A N GLU 321.A O no hydrogen 2.912 N/A GLY 326.A N ILE 322.A O no hydrogen 2.921 N/A LEU 327.A N THR 323.A O no hydrogen 2.896 N/A ALA 328.A N LYS 324.A O no hydrogen 3.290 N/A ALA 329.A N LEU 325.A O no hydrogen 2.895 N/A THR 330.A N GLY 326.A O no hydrogen 3.086 N/A THR 330.A OG1 GLY 326.A O no hydrogen 2.686 N/A ASN 331.A N ALA 328.A O no hydrogen 3.213 N/A ASN 331.A ND2.A ALA 328.A O no hydrogen 2.905 N/A ALA 332.A N LEU 327.A O no hydrogen 2.941 N/A ILE 335.A N CYS 221.A O no hydrogen 3.151 N/A TRP 336.A N ARG 279.A O no hydrogen 2.965 N/A TRP 336.A NE1 SER 272.A OG no hydrogen 2.869 N/A GLY 337.A N GLN 219.A O no hydrogen 3.097 N/A SER 339.A N PHE 217.A O no hydrogen 3.026 N/A SER 339.A OG ASN 216.A OD1 no hydrogen 2.766 N/A LYS 340.A NZ GLN 119.A OE1 no hydrogen 2.836 N/A LYS 340.A NZ ASP 341.A OD1 no hydrogen 2.745 N/A ASP 341.A N TRP 338.A O no hydrogen 2.923 N/A GLN 343.A N SER 339.A O no hydrogen 2.988 N/A GLN 343.A NE2 ALA 126.A O no hydrogen 3.050 N/A GLN 343.A NE2 GLN 219.A OE1 no hydrogen 3.001 N/A PHE 344.A N LYS 340.A O no hydrogen 3.115 N/A TYR 345.A N ALA 130.A O no hydrogen 2.929 N/A TYR 345.A OH GLU 254.A OE1 no hydrogen 2.594 N/A TYR 345.A OH GLU 254.A OE2 no hydrogen 2.921 N/A ILE 346.A N ALA 130.A O no hydrogen 3.151 N/A LYS 347.A N ASP 291.A OD2 no hydrogen 3.271 N/A THR 349.A OG1 ASP 291.A O no hydrogen 3.416 N/A THR 350.A N LYS 347.A O no hydrogen 3.085 N/A ARG 352.A NH1 TRP 23.A O no hydrogen 2.866 N/A THR 354.A N GLY 442.A O no hydrogen 2.944 N/A THR 354.A OG1 GLU 26.A OE1 no hydrogen 2.848 N/A GLY 356.A N VAL 440.A O no hydrogen 2.902 N/A GLY 358.A N LEU 438.A O no hydrogen 2.904 N/A ALA 359.A N ARG 472.A O no hydrogen 2.802 N/A VAL 360.A N ILE 436.A O no hydrogen 2.811 N/A VAL 361.A N THR 470.A O no hydrogen 2.915 N/A THR 362.A N VAL 434.A O no hydrogen 3.119 N/A THR 362.A OG1 ASN 366.A OD1 no hydrogen 2.961 N/A THR 362.A OG1 ASP 468.A O no hydrogen 2.620 N/A ARG 364.A N ASP 433.A OD2 no hydrogen 2.890 N/A ARG 364.A NH1 PRO 150.A O no hydrogen 2.883 N/A ARG 364.A NH2 PRO 150.A O no hydrogen 2.845 N/A ASN 366.A N SER 363.A O no hydrogen 2.946 N/A ILE 367.A N ARG 364.A O no hydrogen 3.293 N/A VAL 370.A N ASN 366.A O no hydrogen 3.142 N/A ILE 371.A N ILE 367.A O no hydrogen 3.096 N/A ASN 372.A N ALA 368.A O no hydrogen 2.853 N/A ASN 372.A ND2 PHE 233.A O no hydrogen 2.903 N/A ASN 372.A ND2 GLU 376.A OE2.A no hydrogen 3.154 N/A ASP 373.A N THR 369.A O no hydrogen 2.922 N/A PHE 374.A N VAL 370.A O no hydrogen 3.118 N/A THR 375.A N ILE 371.A O no hydrogen 2.980 N/A THR 375.A OG1 ILE 371.A O no hydrogen 2.868 N/A THR 375.A OG1 ASN 372.A O no hydrogen 3.430 N/A GLU 376.A N ASN 372.A O no hydrogen 3.056 N/A TRP 377.A N ASP 373.A O no hydrogen 3.088 N/A PHE 378.A N PHE 374.A O no hydrogen 2.849 N/A HIS 379.A N THR 375.A O no hydrogen 2.951 N/A GLU 380.A N GLU 376.A O no hydrogen 3.101 N/A ARG 381.A N TRP 377.A O no hydrogen 3.032 N/A ARG 381.A NE GLU 380.A OE1 no hydrogen 2.895 N/A ARG 381.A NH1 GLU 455.A OE1 no hydrogen 2.843 N/A ARG 381.A NH2 GLU 380.A OE1 no hydrogen 3.450 N/A ARG 381.A NH2 GLU 380.A OE2 no hydrogen 3.038 N/A ILE 382.A N PHE 378.A O no hydrogen 2.927 N/A GLU 383.A N HIS 379.A O no hydrogen 3.149 N/A PHE 384.A N GLU 380.A O no hydrogen 2.913 N/A TYR 385.A N ARG 381.A O no hydrogen 2.958 N/A TYR 385.A OH GLU 455.A OE2 no hydrogen 2.562 N/A ARG 386.A N ILE 382.A O no hydrogen 3.057 N/A ARG 386.A NE.B GLU 383.A OE1 no hydrogen 3.345 N/A ARG 386.A NH2.B GLU 383.A OE1 no hydrogen 3.009 N/A ALA 387.A N GLU 383.A O no hydrogen 2.986 N/A LYS 388.A N TYR 385.A O no hydrogen 3.006 N/A GLY 389.A N ARG 386.A O no hydrogen 2.898 N/A GLU 390.A N TYR 385.A O no hydrogen 2.935 N/A ASN 394.A ND2 THR 446.A OG1 no hydrogen 2.977 N/A VAL 397.A N TRP 257.A O no hydrogen 2.983 N/A GLU 398.A N ASN 439.A O no hydrogen 2.896 N/A ILE 399.A N ALA 255.A O no hydrogen 2.912 N/A ARG 400.A N TRP 437.A O no hydrogen 3.206 N/A ARG 400.A NE.B GLU 254.A OE2 no hydrogen 2.995 N/A ARG 400.A NH2.B GLU 254.A OE2 no hydrogen 2.675 N/A ARG 400.A NH2.B GLU 398.A OE1 no hydrogen 3.285 N/A CYS 402.A N ALA 435.A O no hydrogen 2.952 N/A CYS 402.A SG GLY 403.A O no hydrogen 3.466 N/A GLY 403.A N TYR 162.A O no hydrogen 2.784 N/A ASP 405.A N THR 423.A O no hydrogen 2.858 N/A GLN 406.A N LEU 404.A O no hydrogen 2.860 N/A ASP 409.A N GLN 406.A O no hydrogen 3.227 N/A VAL 410.A N ALA 407.A O no hydrogen 3.102 N/A LYS 411.A N GLN 212.A OE1 no hydrogen 3.074 N/A LYS 411.A NZ.A ALA 408.A O no hydrogen 3.307 N/A VAL 415.A N ARG 189.A O no hydrogen 3.082 N/A GLY 416.A N SER 414.A OG no hydrogen 3.172 N/A THR 419.A N THR 195.A O no hydrogen 3.154 N/A THR 419.A OG1 GLU 508.A OE2 no hydrogen 2.675 N/A SER 421.A OG ASP 405.A OD2 no hydrogen 2.769 N/A SER 421.A OG PRO 418.A O no hydrogen 3.463 N/A ALA 422.A N ASN 143.A OD1 no hydrogen 2.988 N/A THR 423.A OG1 ASP 405.A OD1 no hydrogen 3.293 N/A THR 423.A OG1 ASP 405.A OD2 no hydrogen 2.696 N/A ARG 424.A N SER 421.A O no hydrogen 3.210 N/A ARG 424.A NH1 THR 419.A O no hydrogen 2.980 N/A ARG 424.A NH1 GLU 508.A O no hydrogen 2.952 N/A ARG 424.A NH2 GLU 508.A O no hydrogen 3.043 N/A ARG 426.A NE ASP 428.A OD1 no hydrogen 2.855 N/A ARG 426.A NH1 GLU 502.A OE1 no hydrogen 2.852 N/A ARG 426.A NH2 ASP 428.A OD2 no hydrogen 2.920 N/A ARG 426.A NH2 GLU 502.A OE1 no hydrogen 3.332 N/A HIS 429.A N ARG 426.A O no hydrogen 2.997 N/A TRP 432.A N HIS 429.A O no hydrogen 2.989 N/A ASP 433.A N THR 362.A O no hydrogen 2.921 N/A VAL 434.A N THR 362.A O no hydrogen 3.046 N/A ALA 435.A N CYS 402.A O no hydrogen 2.911 N/A ILE 436.A N VAL 360.A O no hydrogen 2.822 N/A TRP 437.A N ARG 400.A O no hydrogen 2.783 N/A LEU 438.A N GLY 358.A O no hydrogen 2.829 N/A ASN 439.A N GLU 398.A O no hydrogen 2.917 N/A ASN 439.A ND2 GLY 356.A O no hydrogen 3.385 N/A ASN 439.A ND2 GLU 474.A OE1 no hydrogen 3.003 N/A VAL 440.A N GLY 356.A O no hydrogen 3.164 N/A LEU 441.A N PRO 396.A O no hydrogen 2.932 N/A GLY 442.A N THR 354.A O no hydrogen 2.971 N/A VAL 443.A N ASN 394.A OD1 no hydrogen 2.924 N/A THR 446.A N VAL 443.A O no hydrogen 3.297 N/A THR 446.A OG1 VAL 443.A O no hydrogen 2.639 N/A MET 449.A N THR 446.A O no hydrogen 3.159 N/A GLU 451.A N GLU 451.A OE2.A no hydrogen 2.774 N/A PHE 452.A N GLY 448.A O no hydrogen 2.989 N/A TYR 453.A N MET 449.A O no hydrogen 2.850 N/A TYR 453.A OH THR 354.A O no hydrogen 3.004 N/A ARG 454.A N PHE 450.A O no hydrogen 2.940 N/A ARG 454.A NH2 GLU 451.A OE2.B no hydrogen 2.754 N/A GLU 455.A N GLU 451.A O no hydrogen 2.964 N/A MET 456.A N PHE 452.A O no hydrogen 2.833 N/A GLU 457.A N TYR 453.A O no hydrogen 2.903 N/A GLN 458.A N ARG 454.A O no hydrogen 2.973 N/A TRP 459.A N GLU 455.A O no hydrogen 3.007 N/A MET 460.A N MET 456.A O no hydrogen 2.837 N/A ARG 461.A N GLU 457.A O no hydrogen 3.103 N/A ARG 461.A NH2.A GLU 457.A OE2 no hydrogen 2.897 N/A SER 462.A N GLN 458.A O no hydrogen 3.200 N/A SER 462.A OG.B GLN 458.A O no hydrogen 3.184 N/A SER 462.A OG.B TRP 459.A O no hydrogen 2.971 N/A SER 462.A OG.C GLN 458.A O no hydrogen 3.563 N/A HIS 463.A N TRP 459.A O no hydrogen 2.797 N/A HIS 463.A NE2 ASP 373.A OD1 no hydrogen 2.819 N/A TYR 464.A N MET 460.A O no hydrogen 3.025 N/A TYR 464.A OH VAL 370.A O no hydrogen 2.795 N/A ASN 466.A N ALA 469.A O no hydrogen 3.092 N/A ASP 468.A N ASN 466.A OD1 no hydrogen 2.873 N/A ALA 469.A N ASN 466.A OD1 no hydrogen 3.064 N/A THR 470.A N VAL 361.A O no hydrogen 3.049 N/A ARG 472.A N ALA 359.A O no hydrogen 2.881 N/A ARG 472.A NH1 ALA 422.A O no hydrogen 2.900 N/A ARG 472.A NH1 ARG 424.A O no hydrogen 2.960 N/A TRP 475.A NE1 ILE 420.A O no hydrogen 2.925 N/A LYS 477.A N GLU 474.A O no hydrogen 2.943 N/A LYS 477.A NZ GLU 355.A OE2 no hydrogen 2.827 N/A LYS 477.A NZ GLU 474.A OE1 no hydrogen 3.100 N/A GLY 478.A N GLU 355.A O no hydrogen 3.078 N/A TRP 479.A NE1 TRP 475.A O no hydrogen 2.948 N/A ALA 480.A N GLU 457.A OE2 no hydrogen 2.874 N/A PHE 481.A N GLU 457.A OE1 no hydrogen 2.985 N/A GLY 482.A N ASP 484.A O no hydrogen 2.932 N/A TYR 486.A N TRP 479.A O no hydrogen 2.846 N/A TYR 486.A OH LYS 477.A O no hydrogen 2.694 N/A THR 487.A N ALA 480.A O no hydrogen 3.060 N/A THR 487.A N ASP 484.A O no hydrogen 3.337 N/A THR 487.A OG1 ASP 484.A O no hydrogen 2.694 N/A ASP 488.A N ALA 480.A O no hydrogen 2.890 N/A ILE 491.A N ASP 488.A OD1 no hydrogen 3.066 N/A VAL 492.A N ASP 488.A O no hydrogen 3.069 N/A THR 493.A N ASN 489.A O no hydrogen 2.928 N/A THR 493.A OG1 ASN 489.A O no hydrogen 2.770 N/A ASN 494.A N ASP 490.A O no hydrogen 2.900 N/A ASN 494.A ND2.A ASP 490.A OD2 no hydrogen 2.954 N/A LYS 495.A N ASP 490.A O no hydrogen 3.068 N/A LYS 495.A NZ ASP 490.A OD1 no hydrogen 2.801 N/A LYS 495.A NZ ASP 490.A OD2 no hydrogen 3.385 N/A LYS 495.A NZ ASN 494.A OD1.B no hydrogen 3.046 N/A MET 496.A N ILE 491.A O no hydrogen 2.974 N/A ARG 497.A NE ASP 511.A OD1 no hydrogen 2.896 N/A ARG 497.A NE ASP 511.A OD2 no hydrogen 3.365 N/A ARG 497.A NH2 ASP 511.A OD2 no hydrogen 2.867 N/A ALA 498.A N ASN 494.A O no hydrogen 3.036 N/A THR 499.A N LYS 495.A O no hydrogen 2.950 N/A THR 499.A OG1 LYS 495.A O no hydrogen 3.028 N/A TYR 500.A N MET 496.A O no hydrogen 3.183 N/A ILE 501.A N ALA 498.A O no hydrogen 3.291 N/A GLU 508.A N PRO 505.A O no hydrogen 3.093 N/A ASN 509.A N THR 512.A OG1 no hydrogen 3.045 N/A TRP 510.A N TYR 500.A O no hydrogen 3.072 N/A THR 512.A N ASN 509.A OD1 no hydrogen 3.159 N/A THR 512.A OG1 ASN 509.A OD1 no hydrogen 3.388 N/A ALA 513.A N ASN 509.A O no hydrogen 3.031 N/A ARG 514.A N TRP 510.A O no hydrogen 2.976 N/A ARG 514.A NE PRO 536.A OXT no hydrogen 3.075 N/A ARG 514.A NH1 ASP 511.A OD1 no hydrogen 3.056 N/A ALA 515.A N ASP 511.A O no hydrogen 3.010 N/A ARG 516.A N THR 512.A O no hydrogen 3.057 N/A ARG 516.A NH1 GLN 519.A OE1.A no hydrogen 2.878 N/A TYR 517.A N ALA 513.A O no hydrogen 2.943 N/A TYR 517.A OH PRO 196.A O no hydrogen 2.709 N/A TYR 517.A OH THR 199.A O no hydrogen 3.336 N/A ASN 518.A N ARG 514.A O no hydrogen 3.036 N/A ASN 518.A ND2 PRO 536.A O no hydrogen 3.144 N/A ASN 518.A ND2 PRO 536.A OXT no hydrogen 3.468 N/A GLN 519.A N ALA 515.A O no hydrogen 3.013 N/A ILE 520.A N ARG 516.A O no hydrogen 3.032 N/A ASP 521.A N TYR 517.A O no hydrogen 3.029 N/A ARG 524.A N ASP 521.A O no hydrogen 3.135 N/A ARG 524.A NE ASP 532.A OD1 no hydrogen 3.010 N/A ARG 524.A NH2 ASP 532.A OD1 no hydrogen 2.874 N/A ARG 524.A NH2 LEU 535.A O no hydrogen 2.931 N/A VAL 525.A N ASP 521.A OD1 no hydrogen 2.936 N/A PHE 526.A N ASP 521.A OD2 no hydrogen 2.914 N/A THR 527.A OG1 ARG 524.A O no hydrogen 2.718 N/A ASN 528.A ND2 PRO 68.A O no hydrogen 2.833 N/A ASN 528.A ND2 THR 70.A O no hydrogen 3.118 N/A MET 531.A N ASN 528.A OD1 no hydrogen 2.952 N/A ASP 532.A N ASN 528.A O no hydrogen 3.051 N/A LYS 533.A N GLY 529.A O no hydrogen 3.381 N/A LYS 533.A N PHE 530.A O no hydrogen 3.058 N/A LYS 533.A NZ.A GLY 529.A O no hydrogen 3.555 N/A LEU 534.A N PHE 530.A O no hydrogen 3.031 N/A LEU 535.A N MET 531.A O no hydrogen 2.754 N/A