Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4iug_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A NE2 VAL 7.A O no hydrogen 2.787 N/A ILE 6.A N GLN 4.A OE1 no hydrogen 2.887 N/A VAL 7.A N GLN 4.A OE1 no hydrogen 2.743 N/A THR 8.A N PHE 15.A O no hydrogen 3.059 N/A ASP 10.A N SER 13.A O no hydrogen 3.119 N/A LYS 12.A N ASP 10.A OD1 no hydrogen 2.641 N/A SER 13.A N ASP 10.A OD1 no hydrogen 3.136 N/A SER 13.A OG LEU 14.A O no hydrogen 2.960 N/A PHE 15.A N THR 8.A O no hydrogen 2.751 N/A ILE 16.A N GLU 19.A O no hydrogen 2.991 N/A ASN 17.A N ILE 6.A O no hydrogen 2.884 N/A GLU 19.A N ILE 16.A O no hydrogen 3.271 N/A ARG 20.A NH1 ASP 10.A OD1 no hydrogen 2.993 N/A ARG 20.A NH1 ASP 10.A OD2 no hydrogen 3.263 N/A ARG 20.A NH1 SER 13.A OG no hydrogen 3.106 N/A ARG 20.A NH2 ASP 10.A OD2 no hydrogen 2.768 N/A ILE 21.A N LEU 14.A O no hydrogen 3.203 N/A LEU 23.A N SER 289.A O no hydrogen 2.967 N/A PHE 24.A N ASN 52.A OD1 no hydrogen 3.162 N/A SER 25.A N PHE 291.A O no hydrogen 2.886 N/A SER 25.A OG ASN 292.A OD1 no hydrogen 2.821 N/A GLY 26.A N CYS 53.A O no hydrogen 2.980 N/A GLU 27.A N LEU 293.A O no hydrogen 3.039 N/A VAL 28.A N SER 55.A O no hydrogen 2.893 N/A HIS 29.A NE2 GLU 27.A OE2 no hydrogen 2.797 N/A ARG 32.A N HIS 29.A O no hydrogen 2.889 N/A ARG 32.A NE ASN 301.A OD1 no hydrogen 2.877 N/A ARG 32.A NH1 HIS 29.A ND1 no hydrogen 2.836 N/A ARG 32.A NH1 ALA 102.A O no hydrogen 3.062 N/A ARG 32.A NH2 ALA 102.A O no hydrogen 2.777 N/A ARG 32.A NH2 ASN 301.A OD1 no hydrogen 2.912 N/A LEU 33.A N PRO 30.A O no hydrogen 2.921 N/A VAL 35.A N LEU 33.A O no hydrogen 2.704 N/A SER 37.A OG GLU 942.A O no hydrogen 2.820 N/A LEU 38.A N VAL 35.A O no hydrogen 2.746 N/A TRP 39.A N PRO 36.A O no hydrogen 3.178 N/A TRP 39.A NE1 LEU 33.A O no hydrogen 2.915 N/A ASP 41.A N TYR 938.A OH no hydrogen 3.171 N/A PHE 43.A N TRP 39.A O no hydrogen 3.225 N/A HIS 44.A N LEU 40.A O no hydrogen 2.882 N/A LYS 45.A N ASP 41.A O no hydrogen 3.200 N/A LYS 45.A NZ ASP 41.A OD1 no hydrogen 3.110 N/A LYS 45.A NZ ASP 41.A OD2 no hydrogen 2.973 N/A LYS 45.A NZ ARG 324.A O no hydrogen 2.634 N/A ILE 46.A N ILE 42.A O no hydrogen 3.038 N/A ARG 47.A N PHE 43.A O no hydrogen 2.805 N/A ARG 47.A NE ALA 88.A O no hydrogen 3.048 N/A ALA 48.A N HIS 44.A O no hydrogen 2.868 N/A LEU 49.A N LYS 45.A O no hydrogen 3.320 N/A LEU 49.A N ILE 46.A O no hydrogen 3.193 N/A GLY 50.A N ARG 47.A O no hydrogen 2.930 N/A PHE 51.A N ILE 46.A O no hydrogen 3.330 N/A ASN 52.A N PHE 24.A O no hydrogen 3.142 N/A ASN 52.A ND2 MET 22.A O no hydrogen 3.030 N/A CYS 53.A SG SER 25.A OG no hydrogen 3.509 N/A CYS 53.A SG VAL 54.A O no hydrogen 3.954 N/A CYS 53.A SG TYR 91.A O no hydrogen 3.651 N/A VAL 54.A N TYR 91.A O no hydrogen 2.749 N/A SER 55.A N GLY 26.A O no hydrogen 2.835 N/A SER 55.A OG GLU 27.A OE1 no hydrogen 2.776 N/A PHE 56.A N ILE 93.A O no hydrogen 3.190 N/A TYR 57.A OH ASN 160.A OD1 no hydrogen 2.583 N/A TRP 60.A NE1 GLU 64.A OE2 no hydrogen 2.919 N/A ALA 61.A N ASP 59.A OD1 no hydrogen 3.121 N/A LEU 62.A N ASP 59.A O no hydrogen 3.157 N/A LEU 63.A N TRP 60.A O no hydrogen 2.952 N/A GLU 64.A N TRP 60.A O no hydrogen 3.176 N/A LYS 66.A NZ ASP 795.A OD2 no hydrogen 2.909 N/A GLY 68.A N GLU 64.A OE1 no hydrogen 3.064 N/A ASP 69.A N LYS 66.A O no hydrogen 2.979 N/A ARG 71.A N LEU 63.A O no hydrogen 2.741 N/A ARG 71.A NH2 ASP 69.A OD2 no hydrogen 3.196 N/A PHE 76.A N GLU 73.A O no hydrogen 2.677 N/A ALA 77.A N GLY 74.A O no hydrogen 3.110 N/A PHE 81.A N LEU 78.A O no hydrogen 3.192 N/A PHE 82.A N LEU 78.A O no hydrogen 3.272 N/A ASP 83.A N GLU 79.A O no hydrogen 2.911 N/A ALA 84.A N PRO 80.A O no hydrogen 2.902 N/A ALA 85.A N PHE 81.A O no hydrogen 2.999 N/A LYS 86.A N PHE 82.A O no hydrogen 3.047 N/A GLU 87.A N ASP 83.A O no hydrogen 2.794 N/A ALA 88.A N ALA 84.A O no hydrogen 2.889 N/A GLY 89.A N LYS 86.A O no hydrogen 3.210 N/A ILE 90.A N ALA 85.A O no hydrogen 2.791 N/A TYR 91.A N ASN 52.A O no hydrogen 3.081 N/A LEU 92.A N PRO 152.A O no hydrogen 2.844 N/A ILE 93.A N VAL 54.A O no hydrogen 2.796 N/A ALA 94.A N LEU 155.A O no hydrogen 3.071 N/A ARG 95.A N PHE 56.A O no hydrogen 2.921 N/A ARG 95.A NE GLN 157.A OE1 no hydrogen 2.810 N/A ARG 95.A NH2 GLN 157.A OE1 no hydrogen 3.276 N/A ARG 95.A NH2 GLU 250.A OE2 no hydrogen 2.204 N/A TYR 99.A OH ASN 101.A OD1 no hydrogen 2.916 N/A ILE 100.A N GLY 107.A O no hydrogen 2.843 N/A ASN 101.A N GLY 107.A O no hydrogen 3.158 N/A VAL 104.A N ASN 101.A O no hydrogen 3.215 N/A SER 105.A N LEU 305.A O no hydrogen 2.607 N/A GLY 106.A N LEU 753.A O no hydrogen 2.975 N/A GLY 107.A N VAL 104.A O no hydrogen 2.871 N/A GLY 108.A N SER 105.A O no hydrogen 3.180 N/A PHE 109.A N GLY 106.A O no hydrogen 2.892 N/A TRP 112.A NE1 GLU 64.A O no hydrogen 2.943 N/A LEU 113.A N PRO 110.A O no hydrogen 3.062 N/A GLN 114.A N GLY 111.A O no hydrogen 2.935 N/A GLN 114.A NE2 MET 764.A O no hydrogen 2.832 N/A GLN 114.A NE2 ASN 766.A O no hydrogen 2.990 N/A ARG 115.A N TRP 112.A O no hydrogen 2.932 N/A ARG 115.A NH1 SER 670.A O no hydrogen 2.838 N/A ARG 115.A NH1 GLU 794.A OE2 no hydrogen 2.653 N/A ARG 115.A NH2 GLU 794.A OE1 no hydrogen 2.862 N/A ARG 115.A NH2 GLU 794.A OE2 no hydrogen 3.046 N/A VAL 116.A N LEU 113.A O no hydrogen 3.319 N/A GLY 118.A N VAL 116.A O no hydrogen 2.899 N/A THR 119.A N ASP 124.A OD2 no hydrogen 2.926 N/A LEU 120.A N GLU 762.A OE1 no hydrogen 2.692 N/A ARG 121.A NE GLU 159.A OE2 no hydrogen 2.926 N/A ARG 121.A NH1 ASN 756.A O no hydrogen 2.857 N/A ARG 121.A NH1 TRP 757.A O no hydrogen 3.226 N/A ARG 121.A NH2 GLU 159.A OE1 no hydrogen 2.843 N/A SER 122.A OG THR 119.A O no hydrogen 2.689 N/A SER 123.A OG ASP 164.A OD2 no hydrogen 3.434 N/A ASP 124.A N SER 122.A OG no hydrogen 3.048 N/A LEU 128.A N ASP 124.A O no hydrogen 3.037 N/A LYS 129.A N GLU 125.A O no hydrogen 2.986 N/A LYS 129.A NZ ASP 132.A OD2 no hydrogen 3.241 N/A LYS 129.A NZ TYR 170.A OH no hydrogen 3.456 N/A ALA 130.A N PRO 126.A O no hydrogen 3.163 N/A THR 131.A N PHE 127.A O no hydrogen 3.318 N/A THR 131.A N LEU 128.A O no hydrogen 3.138 N/A THR 131.A OG1 LEU 128.A O no hydrogen 2.878 N/A ASP 132.A N LYS 129.A O no hydrogen 3.024 N/A ASN 133.A ND2 GLU 64.A OE1 no hydrogen 2.887 N/A TYR 134.A OH PRO 96.A O no hydrogen 2.693 N/A ILE 135.A N THR 131.A O no hydrogen 3.146 N/A ALA 136.A N ASP 132.A O no hydrogen 2.992 N/A ASN 137.A N ASN 133.A O no hydrogen 3.153 N/A ASN 137.A ND2 ASN 133.A O no hydrogen 2.851 N/A ALA 138.A N TYR 134.A O no hydrogen 2.922 N/A ALA 139.A N ILE 135.A O no hydrogen 2.972 N/A ALA 141.A N ASN 137.A O no hydrogen 3.175 N/A VAL 142.A N ALA 138.A O no hydrogen 3.053 N/A ALA 143.A N ALA 139.A O no hydrogen 2.767 N/A LYS 144.A N ALA 140.A O no hydrogen 3.225 N/A ALA 145.A N VAL 142.A O no hydrogen 3.164 N/A GLN 146.A N ALA 143.A O no hydrogen 3.050 N/A GLN 146.A NE2 ALA 143.A O no hydrogen 3.111 N/A GLN 146.A NE2 ASP 179.A O no hydrogen 2.907 N/A ILE 147.A N VAL 153.A O no hydrogen 2.888 N/A ASN 149.A N GLN 146.A O no hydrogen 3.005 N/A ASN 149.A ND2 LYS 144.A O no hydrogen 3.230 N/A GLY 150.A N ILE 147.A O no hydrogen 2.920 N/A GLY 151.A N GLN 146.A O no hydrogen 2.940 N/A VAL 153.A N ALA 145.A O no hydrogen 2.988 N/A ILE 154.A N LEU 92.A O no hydrogen 2.923 N/A TYR 156.A N PRO 183.A O no hydrogen 3.198 N/A GLN 157.A N ALA 94.A O no hydrogen 2.796 N/A GLN 157.A NE2 GLU 159.A O no hydrogen 2.903 N/A GLN 157.A NE2 ASN 160.A OD1 no hydrogen 2.955 N/A GLU 159.A N GLY 97.A O no hydrogen 2.984 N/A ASN 160.A N GLU 159.A OE1 no hydrogen 2.531 N/A GLU 161.A N ASN 187.A OD1 no hydrogen 2.830 N/A TYR 162.A OH ASP 164.A O no hydrogen 3.197 N/A ASP 166.A N ASP 164.A OD1 no hydrogen 3.211 N/A TYR 167.A N ASP 164.A O no hydrogen 3.212 N/A TYR 167.A OH GLU 159.A OE2 no hydrogen 2.874 N/A GLN 169.A N ALA 165.A O no hydrogen 3.207 N/A GLN 169.A NE2 GLN 169.A O no hydrogen 3.401 N/A GLN 169.A NE2 ASP 173.A OD1 no hydrogen 3.175 N/A TYR 170.A N ASP 166.A O no hydrogen 3.017 N/A TYR 170.A OH ASP 132.A OD1 no hydrogen 2.902 N/A VAL 171.A N TYR 167.A O no hydrogen 3.090 N/A MET 172.A N MET 168.A O no hydrogen 3.116 N/A ASP 173.A N GLN 169.A O no hydrogen 2.831 N/A GLN 174.A N TYR 170.A O no hydrogen 2.754 N/A GLN 174.A NE2 THR 131.A O no hydrogen 3.536 N/A GLN 174.A NE2 THR 131.A OG1 no hydrogen 3.095 N/A GLN 174.A NE2 ASP 132.A OD1 no hydrogen 2.885 N/A ALA 175.A N VAL 171.A O no hydrogen 3.137 N/A ARG 176.A N MET 172.A O no hydrogen 2.855 N/A ARG 176.A NH1 ILE 180.A O no hydrogen 2.681 N/A ARG 176.A NH1 VAL 182.A O no hydrogen 3.154 N/A ARG 176.A NH2 VAL 182.A O no hydrogen 3.148 N/A LYS 177.A N ASP 173.A O no hydrogen 2.776 N/A ALA 178.A N ALA 175.A O no hydrogen 2.921 N/A ASP 179.A N ARG 176.A O no hydrogen 3.062 N/A ILE 180.A N ALA 175.A O no hydrogen 3.290 N/A VAL 181.A N GLN 146.A OE1 no hydrogen 2.480 N/A VAL 182.A N GLN 146.A OE1 no hydrogen 3.082 N/A PHE 184.A N ASP 205.A OD2 no hydrogen 2.816 N/A ILE 185.A N TYR 156.A O no hydrogen 2.888 N/A SER 186.A N ILE 206.A O no hydrogen 3.164 N/A SER 186.A OG GLY 208.A O no hydrogen 3.303 N/A ASN 187.A ND2 ASN 160.A OD1 no hydrogen 2.906 N/A ASN 187.A ND2 GLU 250.A OE2 no hydrogen 3.098 N/A ASP 188.A N GLY 208.A O no hydrogen 2.962 N/A SER 190.A OG SER 192.A OG no hydrogen 2.839 N/A SER 192.A N ASP 188.A OD2 no hydrogen 3.259 N/A SER 192.A OG SER 190.A OG no hydrogen 2.839 N/A GLY 193.A N TYR 207.A OH no hydrogen 2.922 N/A HIS 194.A N ASP 188.A OD2 no hydrogen 2.915 N/A HIS 194.A ND1 ASP 188.A OD1 no hydrogen 2.631 N/A ASN 195.A ND2 TYR 162.A O no hydrogen 3.686 N/A ALA 196.A N GLY 193.A O no hydrogen 3.248 N/A SER 199.A N ALA 196.A O no hydrogen 3.000 N/A SER 199.A OG ALA 196.A O no hydrogen 2.837 N/A GLY 202.A N GLN 169.A OE1 no hydrogen 2.972 N/A ALA 203.A N GLY 200.A O no hydrogen 3.156 N/A VAL 204.A N ASN 195.A O no hydrogen 2.863 N/A ASP 205.A N PHE 184.A O no hydrogen 3.024 N/A ILE 206.A N PHE 184.A O no hydrogen 2.924 N/A TYR 207.A OH ASP 188.A OD2 no hydrogen 2.682 N/A GLY 208.A N SER 186.A OG no hydrogen 3.138 N/A HIS 209.A N SER 247.A O no hydrogen 3.086 N/A HIS 209.A ND1 ASP 210.A O no hydrogen 3.042 N/A ASP 210.A N ASP 188.A O no hydrogen 2.774 N/A SER 211.A N GLU 250.A O no hydrogen 3.059 N/A TYR 212.A OH GLU 250.A OE1 no hydrogen 2.877 N/A LEU 214.A N GLN 252.A OE1 no hydrogen 3.104 N/A GLY 215.A N TYR 212.A O no hydrogen 2.935 N/A CYS 218.A SG PHE 216.A O no hydrogen 3.816 N/A ALA 219.A N ASP 217.A OD1 no hydrogen 3.030 N/A VAL 223.A N ASN 220.A O no hydrogen 2.922 N/A ARG 234.A NE PHE 286.A O no hydrogen 3.047 N/A ARG 234.A NH2 PHE 286.A O no hydrogen 2.996 N/A LEU 236.A N ASN 232.A O no hydrogen 2.910 N/A HIS 237.A N PHE 233.A O no hydrogen 3.001 N/A LEU 238.A N ARG 234.A O no hydrogen 3.191 N/A GLU 239.A N THR 235.A O no hydrogen 3.113 N/A GLU 239.A N LEU 236.A O no hydrogen 3.156 N/A GLN 240.A N LEU 236.A O no hydrogen 2.914 N/A GLN 240.A NE2 PRO 191.A O no hydrogen 2.891 N/A SER 241.A N HIS 237.A O no hydrogen 2.912 N/A SER 241.A OG THR 244.A OG1 no hydrogen 2.451 N/A THR 244.A N SER 241.A O no hydrogen 3.258 N/A THR 244.A OG1 SER 241.A O no hydrogen 3.266 N/A THR 244.A OG1 SER 241.A OG no hydrogen 2.451 N/A TYR 246.A OH HIS 209.A NE2 no hydrogen 2.796 N/A SER 247.A OG PRO 245.A O no hydrogen 2.991 N/A LEU 248.A N THR 290.A O no hydrogen 2.802 N/A LEU 249.A N HIS 209.A O no hydrogen 3.126 N/A PHE 251.A N ASN 292.A O no hydrogen 2.763 N/A GLN 252.A N SER 211.A O no hydrogen 3.137 N/A GLN 252.A NE2 GLY 215.A O no hydrogen 2.842 N/A GLN 252.A NE2 GLY 254.A O no hydrogen 3.188 N/A ALA 253.A N TYR 294.A O no hydrogen 2.929 N/A ALA 255.A N TYR 316.A O no hydrogen 2.824 N/A GLY 260.A N GLY 889.A O no hydrogen 2.935 N/A GLY 261.A N PRO 258.A O no hydrogen 2.986 N/A GLY 263.A N ASP 257.A OD2 no hydrogen 2.841 N/A LYS 266.A N GLY 263.A O no hydrogen 3.260 N/A LYS 266.A NZ ALA 219.A O no hydrogen 3.177 N/A CYS 267.A N GLY 263.A O no hydrogen 3.305 N/A CYS 267.A SG GLY 263.A O no hydrogen 3.751 N/A TYR 268.A N PHE 264.A O no hydrogen 2.764 N/A ALA 269.A N GLU 265.A O no hydrogen 2.896 N/A LEU 270.A N LYS 266.A O no hydrogen 2.861 N/A VAL 271.A N CYS 267.A O no hydrogen 3.046 N/A GLU 274.A N ASN 272.A OD1 no hydrogen 3.063 N/A PHE 275.A N ASN 272.A OD1 no hydrogen 3.140 N/A SER 276.A N ASN 272.A O no hydrogen 3.173 N/A SER 276.A OG ASN 272.A O no hydrogen 3.401 N/A SER 276.A OG HIS 273.A O no hydrogen 3.075 N/A SER 276.A OG ASP 333.A OD1 no hydrogen 2.477 N/A ARG 277.A N HIS 273.A O no hydrogen 3.202 N/A ARG 277.A NE ARG 420.A O no hydrogen 2.811 N/A ARG 277.A NH2 ARG 420.A O no hydrogen 2.927 N/A VAL 278.A N GLU 274.A O no hydrogen 2.948 N/A PHE 279.A N PHE 275.A O no hydrogen 2.723 N/A TYR 280.A N SER 276.A O no hydrogen 2.818 N/A TYR 280.A OH GLN 252.A O no hydrogen 2.776 N/A ARG 281.A NE GLU 442.A OE2 no hydrogen 2.793 N/A ARG 281.A NH1 ARG 277.A O no hydrogen 3.262 N/A ARG 281.A NH2 GLU 442.A OE1 no hydrogen 3.273 N/A ARG 281.A NH2 GLU 442.A OE2 no hydrogen 3.082 N/A ASN 282.A N VAL 278.A O no hydrogen 3.110 N/A ASN 282.A ND2 PRO 230.A O no hydrogen 2.895 N/A ASP 283.A N PHE 279.A O no hydrogen 3.064 N/A LEU 284.A N TYR 280.A O no hydrogen 3.026 N/A SER 285.A N ARG 281.A O no hydrogen 3.075 N/A SER 285.A OG ASN 282.A O no hydrogen 2.794 N/A PHE 286.A N ASP 283.A O no hydrogen 3.093 N/A GLY 287.A N LEU 284.A O no hydrogen 2.815 N/A SER 289.A N TYR 246.A O no hydrogen 2.925 N/A SER 289.A OG LYS 12.A O no hydrogen 3.286 N/A SER 289.A OG TYR 246.A O no hydrogen 3.442 N/A PHE 291.A N LEU 23.A O no hydrogen 2.880 N/A ASN 292.A N LEU 248.A O no hydrogen 2.853 N/A ASN 292.A ND2 GLU 27.A OE1 no hydrogen 3.014 N/A ASN 292.A ND2 LEU 249.A O no hydrogen 2.878 N/A LEU 293.A N SER 25.A O no hydrogen 2.837 N/A TYR 294.A N PHE 251.A O no hydrogen 2.953 N/A TYR 294.A OH TYR 314.A OH no hydrogen 2.936 N/A THR 296.A N GLU 27.A O no hydrogen 3.275 N/A PHE 297.A N GLU 27.A O no hydrogen 3.389 N/A THR 300.A N ARG 32.A O no hydrogen 3.151 N/A THR 300.A OG1 GLU 322.A OE2 no hydrogen 2.576 N/A ASN 301.A N THR 312.A O no hydrogen 2.670 N/A ASN 301.A ND2 TYR 311.A O no hydrogen 3.010 N/A ASN 301.A ND2 THR 312.A O no hydrogen 3.098 N/A TRP 302.A NE1 PHE 31.A O no hydrogen 2.753 N/A GLY 303.A N GLN 880.A O no hydrogen 2.794 N/A ASN 304.A ND2 LEU 804.A O no hydrogen 2.771 N/A LEU 305.A N TRP 302.A O no hydrogen 3.352 N/A HIS 307.A N GLU 103.A O no hydrogen 3.288 N/A GLY 310.A N HIS 307.A O no hydrogen 3.149 N/A TYR 311.A OH ASP 257.A OD2 no hydrogen 2.520 N/A SER 313.A N GLN 891.A OE1 no hydrogen 3.153 N/A SER 313.A OG GLU 322.A OE1 no hydrogen 2.715 N/A TYR 314.A N GLY 299.A O no hydrogen 3.116 N/A TYR 314.A OH GLU 103.A OE1 no hydrogen 2.478 N/A TYR 314.A OH TYR 294.A OH no hydrogen 2.936 N/A ASP 315.A N SER 313.A OG no hydrogen 3.223 N/A GLY 317.A N ASP 315.A OD2 no hydrogen 2.890 N/A SER 318.A N ASP 315.A O no hydrogen 3.112 N/A SER 318.A OG MET 295.A O no hydrogen 2.862 N/A SER 318.A OG ASP 315.A O no hydrogen 3.551 N/A ILE 320.A N THR 296.A O no hydrogen 3.079 N/A THR 321.A N ASN 325.A O no hydrogen 3.171 N/A THR 321.A OG1 THR 323.A OG1 no hydrogen 3.004 N/A GLU 322.A N ASP 315.A OD1 no hydrogen 2.816 N/A THR 323.A N THR 321.A OG1 no hydrogen 3.253 N/A THR 323.A OG1 THR 321.A OG1 no hydrogen 3.004 N/A ARG 324.A N THR 321.A O no hydrogen 2.792 N/A ARG 324.A NH1 ASP 41.A OD2 no hydrogen 2.648 N/A ARG 324.A NH1 ASP 856.A OD2 no hydrogen 3.170 N/A ARG 324.A NH2 ASP 856.A OD1 no hydrogen 3.059 N/A ARG 324.A NH2 ASP 856.A OD2 no hydrogen 3.550 N/A ASN 325.A N THR 321.A OG1 no hydrogen 3.202 N/A VAL 326.A N TYR 554.A OH no hydrogen 3.039 N/A THR 327.A N ASN 325.A OD1 no hydrogen 3.364 N/A THR 327.A OG1 ASN 325.A OD1 no hydrogen 2.864 N/A ARG 328.A NH1 ASP 315.A OD1 no hydrogen 3.547 N/A ARG 328.A NH1 ASP 315.A OD2 no hydrogen 2.833 N/A ARG 328.A NH1 SER 318.A O no hydrogen 2.832 N/A ARG 328.A NH2 ASP 315.A OD2 no hydrogen 2.850 N/A LYS 330.A N TYR 268.A OH no hydrogen 3.107 N/A LYS 330.A NZ ALA 253.A O no hydrogen 2.968 N/A LYS 330.A NZ VAL 271.A O no hydrogen 2.714 N/A LYS 330.A NZ GLY 317.A O no hydrogen 2.496 N/A TYR 331.A N ARG 328.A O no hydrogen 3.103 N/A TYR 331.A OH LYS 45.A O no hydrogen 2.710 N/A ASP 333.A N GLU 329.A O no hydrogen 2.898 N/A ILE 334.A N LYS 330.A O no hydrogen 2.823 N/A LYS 335.A N TYR 331.A O no hydrogen 3.063 N/A LYS 335.A NZ TYR 522.A O no hydrogen 2.850 N/A LYS 335.A NZ TYR 524.A O no hydrogen 2.968 N/A LEU 336.A N SER 332.A O no hydrogen 3.349 N/A LEU 337.A N ASP 333.A O no hydrogen 3.472 N/A ALA 338.A N ILE 334.A O no hydrogen 2.929 N/A ASN 339.A N LYS 335.A O no hydrogen 3.110 N/A ASN 339.A ND2 LYS 335.A O no hydrogen 3.099 N/A PHE 340.A N LEU 336.A O no hydrogen 3.389 N/A PHE 340.A N LEU 337.A O no hydrogen 2.937 N/A VAL 341.A N LEU 337.A O no hydrogen 3.160 N/A LYS 342.A N ALA 338.A O no hydrogen 3.024 N/A LYS 342.A NZ GLU 528.A OE1 no hydrogen 3.221 N/A LYS 342.A NZ GLU 528.A OE2 no hydrogen 3.290 N/A ALA 343.A N ASN 339.A O no hydrogen 3.292 N/A ALA 343.A N PHE 340.A O no hydrogen 3.287 N/A SER 344.A N VAL 341.A O no hydrogen 3.027 N/A SER 344.A OG PHE 340.A O no hydrogen 2.805 N/A SER 344.A OG TYR 429.A OH no hydrogen 2.676 N/A TYR 347.A N SER 344.A O no hydrogen 3.052 N/A TYR 347.A OH LEU 284.A O no hydrogen 3.335 N/A TYR 347.A OH VAL 288.A O no hydrogen 2.736 N/A LEU 348.A N PRO 345.A O no hydrogen 3.305 N/A THR 349.A N SER 346.A O no hydrogen 3.244 N/A THR 349.A OG1 SER 346.A O no hydrogen 3.228 N/A ALA 350.A N TYR 347.A O no hydrogen 3.408 N/A ARG 353.A N PRO 370.A O no hydrogen 3.085 N/A ARG 353.A NE ILE 372.A O no hydrogen 3.073 N/A ARG 353.A NH2 ILE 372.A O no hydrogen 2.551 N/A ASN 354.A ND2 LEU 355.A O no hydrogen 2.958 N/A THR 356.A N VAL 368.A O no hydrogen 2.803 N/A THR 356.A OG1 VAL 368.A O no hydrogen 2.799 N/A THR 361.A OG1 THR 363.A O no hydrogen 2.731 N/A ASP 365.A N THR 363.A OG1 no hydrogen 2.830 N/A ALA 367.A N ARG 383.A O no hydrogen 2.830 N/A VAL 368.A N THR 356.A O no hydrogen 2.869 N/A THR 369.A N VAL 381.A O no hydrogen 2.949 N/A LEU 371.A N PHE 379.A O no hydrogen 2.607 N/A ILE 372.A N THR 351.A O no hydrogen 2.939 N/A SER 378.A N VAL 427.A O no hydrogen 2.888 N/A PHE 379.A N LEU 371.A O no hydrogen 2.984 N/A PHE 380.A N HIS 425.A O no hydrogen 2.855 N/A VAL 381.A N THR 369.A O no hydrogen 2.991 N/A VAL 382.A N LYS 423.A O no hydrogen 2.884 N/A ARG 383.A N ALA 367.A O no hydrogen 3.162 N/A ARG 383.A NH1 HIS 384.A O no hydrogen 2.969 N/A ARG 383.A NH1 THR 385.A O no hydrogen 3.135 N/A HIS 384.A NE2 THR 393.A OG1 no hydrogen 2.626 N/A THR 385.A N ASP 365.A O no hydrogen 2.764 N/A THR 385.A OG1 SER 364.A O no hydrogen 2.711 N/A TYR 387.A OH PRO 225.A O no hydrogen 2.590 N/A SER 388.A N ASP 386.A OD1 no hydrogen 3.209 N/A SER 388.A OG GLU 226.A OE2 no hydrogen 3.307 N/A SER 388.A OG ASP 386.A OD1 no hydrogen 2.836 N/A SER 388.A OG ASP 386.A OD2 no hydrogen 3.518 N/A SER 389.A N ASP 386.A O no hydrogen 3.017 N/A GLU 391.A N SER 389.A OG no hydrogen 3.071 N/A SER 392.A OG ASN 418.A OD1 no hydrogen 2.988 N/A THR 393.A N LEU 417.A O no hydrogen 2.838 N/A THR 393.A OG1 HIS 384.A NE2 no hydrogen 2.626 N/A TYR 395.A N LEU 415.A O no hydrogen 2.901 N/A TYR 395.A OH HIS 425.A NE2 no hydrogen 2.903 N/A LEU 397.A N ILE 408.A O no hydrogen 2.767 N/A LYS 398.A N TYR 360.A O no hydrogen 2.907 N/A LEU 399.A N LEU 406.A O no hydrogen 2.874 N/A THR 401.A N GLY 404.A O no hydrogen 3.161 N/A THR 401.A OG1 GLY 404.A O no hydrogen 3.154 N/A SER 402.A N ASP 428.A OD2 no hydrogen 3.086 N/A SER 402.A OG ASP 428.A OD1 no hydrogen 2.666 N/A ALA 403.A N THR 401.A OG1 no hydrogen 3.018 N/A GLY 404.A N THR 401.A O no hydrogen 2.760 N/A LEU 406.A N LEU 399.A O no hydrogen 2.859 N/A ILE 408.A N LEU 397.A O no hydrogen 2.721 N/A GLN 410.A N GLU 466.A OE1 no hydrogen 2.700 N/A GLN 410.A NE2 TYR 438.A OH no hydrogen 3.051 N/A LEU 411.A N GLU 466.A OE2 no hydrogen 2.985 N/A LEU 415.A N TYR 395.A O no hydrogen 2.941 N/A LEU 417.A N THR 393.A O no hydrogen 2.812 N/A GLY 419.A N GLU 391.A O no hydrogen 2.773 N/A ARG 420.A NE SER 388.A O no hydrogen 2.893 N/A ARG 420.A NH1 SER 222.A O no hydrogen 2.886 N/A ARG 420.A NH2 SER 222.A O no hydrogen 3.435 N/A ARG 420.A NH2 SER 388.A O no hydrogen 3.050 N/A ASP 421.A N GLY 419.A O no hydrogen 2.887 N/A SER 422.A N ASP 421.A OD1 no hydrogen 2.604 N/A SER 422.A OG VAL 382.A O no hydrogen 2.692 N/A LYS 423.A N VAL 382.A O no hydrogen 3.068 N/A LYS 423.A NZ ASP 421.A OD2 no hydrogen 2.889 N/A LYS 423.A NZ GLU 463.A OE1 no hydrogen 3.057 N/A LYS 423.A NZ GLU 463.A OE2 no hydrogen 2.731 N/A ILE 424.A N GLU 442.A OE2 no hydrogen 3.002 N/A HIS 425.A N PHE 380.A O no hydrogen 2.842 N/A HIS 425.A ND1 THR 440.A O no hydrogen 2.801 N/A HIS 425.A NE2 TYR 395.A OH no hydrogen 2.903 N/A VAL 426.A N SER 439.A O no hydrogen 3.263 N/A VAL 427.A N SER 378.A O no hydrogen 2.974 N/A ASP 428.A N ILE 437.A O no hydrogen 2.754 N/A TYR 429.A N ILE 436.A O no hydrogen 2.923 N/A TYR 429.A OH SER 344.A OG no hydrogen 2.676 N/A VAL 431.A N THR 434.A O no hydrogen 2.884 N/A GLY 433.A N ASN 430.A OD1 no hydrogen 2.641 N/A THR 434.A N VAL 431.A O no hydrogen 3.103 N/A ASN 435.A ND2 ASP 428.A OD1 no hydrogen 3.165 N/A ILE 436.A N TYR 429.A O no hydrogen 2.872 N/A ILE 437.A N ALA 468.A O no hydrogen 2.620 N/A TYR 438.A OH GLU 466.A OE1 no hydrogen 2.748 N/A SER 439.A N VAL 426.A O no hydrogen 2.983 N/A SER 439.A OG ALA 441.A O no hydrogen 2.846 N/A THR 440.A N GLU 466.A O no hydrogen 3.011 N/A THR 440.A OG1 HIS 465.A ND1 no hydrogen 2.697 N/A THR 440.A OG1 GLU 466.A O no hydrogen 3.357 N/A GLU 442.A N TYR 458.A O no hydrogen 3.065 N/A PHE 444.A N VAL 456.A O no hydrogen 2.839 N/A TRP 446.A NE1 ALA 343.A O no hydrogen 2.923 N/A LYS 447.A N VAL 454.A O no hydrogen 2.966 N/A LYS 447.A NZ THR 544.A O no hydrogen 2.881 N/A PHE 449.A N ASN 452.A O no hydrogen 2.879 N/A LYS 453.A N ASP 511.A O no hydrogen 2.836 N/A LYS 453.A NZ SER 432.A O no hydrogen 2.984 N/A LYS 453.A NZ THR 434.A OG1 no hydrogen 2.695 N/A VAL 454.A N LYS 447.A O no hydrogen 2.874 N/A LEU 455.A N ARG 513.A O no hydrogen 2.839 N/A VAL 456.A N THR 445.A O no hydrogen 2.842 N/A LEU 457.A N PHE 515.A O no hydrogen 2.889 N/A TYR 458.A N GLU 442.A O no hydrogen 3.099 N/A GLY 459.A N LEU 517.A O no hydrogen 3.324 N/A GLY 460.A N GLU 463.A OE1 no hydrogen 2.897 N/A HIS 464.A ND1 ASP 499.A OD1 no hydrogen 2.838 N/A HIS 465.A N TRP 498.A O no hydrogen 2.773 N/A HIS 465.A ND1 THR 440.A OG1 no hydrogen 2.697 N/A HIS 465.A NE2 GLU 463.A OE1 no hydrogen 2.843 N/A GLU 466.A N THR 440.A OG1 no hydrogen 3.069 N/A LEU 467.A N ILE 496.A O no hydrogen 2.836 N/A ALA 468.A N TYR 438.A O no hydrogen 2.948 N/A ILE 469.A N VAL 494.A O no hydrogen 2.776 N/A ALA 470.A N ASN 435.A O no hydrogen 3.040 N/A SER 471.A N SER 492.A O no hydrogen 3.219 N/A SER 473.A N SER 471.A OG no hydrogen 3.226 N/A THR 476.A N GLN 508.A O no hydrogen 3.000 N/A ILE 478.A N ILE 506.A O no hydrogen 3.079 N/A ILE 485.A N ASP 482.A O no hydrogen 3.059 N/A VAL 486.A N GLY 497.A O no hydrogen 3.067 N/A THR 488.A N ILE 495.A O no hydrogen 3.132 N/A ARG 489.A NE GLY 491.A O no hydrogen 3.153 N/A ARG 489.A NH2 SER 471.A O no hydrogen 2.574 N/A ARG 489.A NH2 SER 473.A O no hydrogen 3.480 N/A LYS 490.A N SER 493.A O no hydrogen 2.975 N/A SER 493.A N LYS 490.A O no hydrogen 3.080 N/A SER 493.A OG LYS 490.A O no hydrogen 2.867 N/A VAL 494.A N ILE 469.A O no hydrogen 2.835 N/A ILE 495.A N THR 488.A O no hydrogen 2.943 N/A ILE 496.A N LEU 467.A O no hydrogen 2.841 N/A GLY 497.A N VAL 486.A O no hydrogen 2.799 N/A TRP 498.A N HIS 465.A O no hydrogen 2.752 N/A VAL 500.A N GLU 463.A O no hydrogen 3.064 N/A SER 501.A OG THR 503.A O no hydrogen 3.431 N/A THR 503.A N SER 501.A OG no hydrogen 3.003 N/A ARG 504.A NE GLU 479.A OE1 no hydrogen 3.274 N/A ARG 504.A NE GLU 479.A OE2 no hydrogen 3.414 N/A ARG 504.A NH1 TYR 524.A OH no hydrogen 3.124 N/A ARG 504.A NH1 GLU 579.A OE1 no hydrogen 2.702 N/A ARG 504.A NH2 GLU 479.A OE1 no hydrogen 2.644 N/A ARG 504.A NH2 GLU 579.A OE1 no hydrogen 3.174 N/A ARG 505.A N LEU 516.A O no hydrogen 3.419 N/A ARG 505.A NE THR 503.A O no hydrogen 2.888 N/A ARG 505.A NH2 ASP 499.A O no hydrogen 2.818 N/A ILE 506.A N GLU 479.A O no hydrogen 3.182 N/A VAL 507.A N VAL 514.A O no hydrogen 2.865 N/A GLN 508.A N THR 476.A O no hydrogen 2.783 N/A GLN 508.A NE2 GLY 510.A O no hydrogen 2.925 N/A VAL 509.A N LEU 512.A O no hydrogen 2.819 N/A LEU 512.A N VAL 509.A O no hydrogen 3.228 N/A ARG 513.A N LYS 453.A O no hydrogen 2.720 N/A ARG 513.A NE GLN 508.A OE1 no hydrogen 3.306 N/A ARG 513.A NH1 ASN 604.A O no hydrogen 2.665 N/A VAL 514.A N VAL 507.A O no hydrogen 2.789 N/A PHE 515.A N LEU 455.A O no hydrogen 2.796 N/A LEU 516.A N ARG 505.A O no hydrogen 2.805 N/A LEU 517.A N LEU 457.A O no hydrogen 2.907 N/A ARG 519.A N GLY 459.A O no hydrogen 2.783 N/A TYR 522.A N ARG 519.A O no hydrogen 3.089 N/A TYR 522.A OH GLU 329.A OE2 no hydrogen 2.825 N/A TYR 524.A N ALA 521.A O no hydrogen 2.963 N/A TRP 525.A N VAL 550.A O no hydrogen 2.778 N/A LEU 529.A N SER 546.A O no hydrogen 3.284 N/A SER 535.A OG GLU 87.A O no hydrogen 3.068 N/A GLY 537.A N SER 535.A OG no hydrogen 3.307 N/A THR 540.A N THR 543.A OG1 no hydrogen 3.071 N/A SER 541.A N GLU 19.A OE1 no hydrogen 2.930 N/A SER 541.A OG GLU 19.A OE2 no hydrogen 3.358 N/A LYS 542.A NZ SER 546.A OG no hydrogen 3.262 N/A THR 543.A OG1 THR 540.A O no hydrogen 2.906 N/A THR 544.A N THR 540.A O no hydrogen 2.872 N/A THR 544.A OG1 THR 540.A O no hydrogen 3.163 N/A ALA 545.A N SER 541.A O no hydrogen 2.874 N/A SER 546.A OG LYS 542.A O no hydrogen 3.058 N/A SER 547.A OG THR 543.A O no hydrogen 3.079 N/A SER 547.A OG THR 544.A O no hydrogen 3.164 N/A ILE 548.A N PRO 527.A O no hydrogen 3.005 N/A ILE 549.A N ILE 581.A O no hydrogen 3.145 N/A VAL 550.A N TRP 525.A O no hydrogen 2.954 N/A LYS 551.A N GLU 579.A O no hydrogen 2.930 N/A ALA 552.A N ASN 523.A O no hydrogen 3.002 N/A LEU 555.A N ASP 571.A O no hydrogen 3.278 N/A ARG 557.A N THR 569.A O no hydrogen 2.754 N/A ARG 557.A NE ASP 571.A OD1 no hydrogen 2.706 N/A ARG 557.A NH1 ASP 41.A OD1 no hydrogen 2.969 N/A ARG 557.A NH1 HIS 44.A ND1 no hydrogen 3.222 N/A ARG 557.A NH2 ASP 41.A OD1 no hydrogen 3.085 N/A ARG 557.A NH2 ASP 571.A OD1 no hydrogen 3.323 N/A ARG 557.A NH2 ASP 571.A OD2 no hydrogen 2.799 N/A ARG 557.A NH2 THR 936.A OG1 no hydrogen 3.374 N/A GLY 558.A N THR 569.A O no hydrogen 3.373 N/A HIS 560.A N HIS 567.A O no hydrogen 3.121 N/A LEU 561.A N PRO 530.A O no hydrogen 2.871 N/A ASP 562.A N ASP 565.A O no hydrogen 2.903 N/A ASP 565.A N ASP 562.A O no hydrogen 3.040 N/A LEU 566.A N ASN 589.A O no hydrogen 2.693 N/A HIS 567.A N HIS 560.A O no hydrogen 2.963 N/A LEU 568.A N PHE 591.A O no hydrogen 2.851 N/A THR 569.A N GLY 558.A O no hydrogen 3.018 N/A ALA 570.A N ASN 593.A OD1 no hydrogen 2.858 N/A ASP 571.A N LEU 555.A O no hydrogen 2.971 N/A PHE 572.A N LEU 935.A O no hydrogen 2.850 N/A THR 576.A N VAL 611.A O no hydrogen 2.842 N/A THR 576.A OG1 ALA 574.A O no hydrogen 2.601 N/A ILE 578.A N SER 609.A O no hydrogen 2.766 N/A GLU 579.A N LYS 551.A O no hydrogen 2.936 N/A VAL 580.A N TRP 607.A O no hydrogen 3.144 N/A ILE 581.A N ILE 549.A O no hydrogen 2.803 N/A ALA 587.A N PRO 584.A O no hydrogen 3.037 N/A LYS 588.A N ALA 564.A O no hydrogen 2.758 N/A ASN 589.A N ALA 564.A O no hydrogen 2.988 N/A ASN 589.A ND2 ALA 564.A O no hydrogen 3.577 N/A ASN 589.A ND2 ASP 565.A OD1 no hydrogen 3.285 N/A PHE 591.A N LEU 566.A O no hydrogen 2.827 N/A VAL 592.A N GLU 595.A O no hydrogen 2.844 N/A ASN 593.A N LEU 568.A O no hydrogen 2.943 N/A ASN 593.A ND2 ALA 570.A O no hydrogen 3.051 N/A GLU 595.A N VAL 592.A O no hydrogen 3.024 N/A LYS 596.A NZ ASN 589.A OD1 no hydrogen 3.549 N/A ALA 597.A N LEU 590.A O no hydrogen 2.918 N/A THR 600.A N SER 608.A O no hydrogen 3.003 N/A ASP 602.A N ILE 606.A O no hydrogen 3.167 N/A ASN 604.A N ASP 602.A OD1 no hydrogen 2.929 N/A ASN 604.A ND2 ILE 478.A O no hydrogen 2.987 N/A GLY 605.A N ASP 602.A O no hydrogen 2.947 N/A ILE 606.A N ASP 602.A OD1 no hydrogen 3.129 N/A TRP 607.A N VAL 580.A O no hydrogen 3.042 N/A SER 608.A N THR 600.A O no hydrogen 2.848 N/A SER 609.A N ILE 578.A O no hydrogen 3.014 N/A SER 609.A OG SER 598.A O no hydrogen 2.853 N/A VAL 611.A N THR 576.A O no hydrogen 2.920 N/A LYS 612.A NZ GLU 610.A OE1 no hydrogen 3.323 N/A TYR 613.A N THR 575.A OG1 no hydrogen 3.183 N/A TYR 613.A OH PRO 933.A O no hydrogen 2.662 N/A ASP 625.A N GLY 622.A O no hydrogen 2.952 N/A LEU 626.A N LEU 623.A O no hydrogen 3.277 N/A TRP 628.A NE1 LEU 623.A O no hydrogen 2.799 N/A LYS 629.A N THR 844.A O no hydrogen 2.756 N/A LYS 629.A NZ SER 823.A O no hydrogen 2.892 N/A LYS 629.A NZ GLU 824.A O no hydrogen 2.992 N/A LYS 629.A NZ TRP 826.A O no hydrogen 3.078 N/A TYR 630.A N GLU 827.A O no hydrogen 2.784 N/A LEU 631.A N PHE 842.A O no hydrogen 2.729 N/A THR 633.A N ILE 840.A O no hydrogen 3.044 N/A THR 633.A OG1 THR 633.A O no hydrogen 2.602 N/A LEU 634.A N ASP 632.A OD1 no hydrogen 2.672 N/A GLU 636.A N GLU 636.A OE1 no hydrogen 2.721 N/A ILE 637.A N LEU 634.A O no hydrogen 3.366 N/A LYS 638.A N PRO 635.A O no hydrogen 3.166 N/A SER 639.A N GLU 712.A OE2 no hydrogen 2.519 N/A SER 639.A OG GLU 712.A OE2 no hydrogen 3.247 N/A TYR 641.A N LYS 638.A O no hydrogen 3.184 N/A TYR 641.A OH TYR 956.A OXT no hydrogen 2.903 N/A SER 644.A N ASP 642.A OD1 no hydrogen 3.070 N/A SER 644.A OG ASP 642.A OD1 no hydrogen 3.298 N/A SER 644.A OG ASP 642.A OD2 no hydrogen 3.221 N/A TRP 646.A N ASP 643.A O no hydrogen 2.898 N/A TRP 646.A NE1 TYR 641.A OH no hydrogen 2.803 N/A ALA 649.A N TRP 785.A O no hydrogen 2.817 N/A LEU 651.A N TYR 672.A OH no hydrogen 3.291 N/A THR 654.A OG1 ASP 671.A OD1 no hydrogen 3.519 N/A THR 654.A OG1 ASP 671.A OD2 no hydrogen 2.646 N/A LYS 655.A N ASP 671.A OD1 no hydrogen 3.120 N/A ASN 656.A N THR 654.A OG1 no hydrogen 2.867 N/A ASN 656.A ND2 LYS 765.A O no hydrogen 2.710 N/A THR 657.A OG1 GLU 762.A OE2 no hydrogen 3.325 N/A HIS 658.A N ASN 656.A OD1 no hydrogen 2.812 N/A ARG 659.A NH1 TYR 668.A OH no hydrogen 2.858 N/A ARG 659.A NH2 ASP 662.A OD2 no hydrogen 3.232 N/A THR 663.A OG1 THR 665.A O no hydrogen 2.507 N/A THR 665.A OG1 ALA 649.A O no hydrogen 2.670 N/A SER 666.A N LEU 651.A O no hydrogen 2.910 N/A SER 666.A OG ASP 671.A OD2 no hydrogen 2.561 N/A TYR 668.A N SER 666.A OG no hydrogen 3.229 N/A TYR 668.A OH ARG 659.A O no hydrogen 2.756 N/A TYR 668.A OH PRO 660.A O no hydrogen 3.270 N/A SER 669.A N ARG 768.A O no hydrogen 2.879 N/A SER 669.A OG PHE 674.A O no hydrogen 2.690 N/A SER 669.A OG ARG 768.A O no hydrogen 3.328 N/A SER 670.A OG GLN 114.A OE1 no hydrogen 3.337 N/A SER 670.A OG HIS 675.A ND1 no hydrogen 2.727 N/A ASP 671.A N TYR 668.A O no hydrogen 3.223 N/A TYR 672.A N SER 669.A O no hydrogen 3.045 N/A TYR 672.A OH SER 666.A O no hydrogen 2.557 N/A GLY 673.A N SER 670.A O no hydrogen 3.254 N/A PHE 674.A N SER 669.A O no hydrogen 3.084 N/A HIS 675.A ND1 SER 670.A OG no hydrogen 2.727 N/A HIS 675.A NE2 GLU 794.A OE2 no hydrogen 2.710 N/A THR 676.A OG1 LEU 804.A O no hydrogen 2.806 N/A LEU 679.A N ILE 748.A O no hydrogen 2.947 N/A ILE 680.A N THR 788.A O no hydrogen 3.023 N/A TYR 681.A N VAL 746.A O no hydrogen 2.721 N/A TYR 681.A OH LEU 667.A O no hydrogen 2.733 N/A ARG 682.A N LYS 786.A O no hydrogen 2.712 N/A ARG 682.A NE ASP 643.A OD2 no hydrogen 2.866 N/A ARG 682.A NH1 GLU 636.A O no hydrogen 2.746 N/A GLY 683.A N ILE 744.A O no hydrogen 2.761 N/A HIS 684.A N THR 784.A O no hydrogen 2.868 N/A HIS 684.A NE2 ASP 643.A OD2 no hydrogen 2.466 N/A PHE 685.A N TYR 742.A O no hydrogen 2.980 N/A ALA 687.A N LYS 740.A O no hydrogen 2.989 N/A ASN 688.A N GLU 691.A OE2 no hydrogen 2.839 N/A ASN 688.A ND2 GLY 777.A O no hydrogen 2.967 N/A LYS 690.A N ASN 688.A OD1 no hydrogen 2.811 N/A GLU 691.A N GLU 691.A OE1 no hydrogen 2.873 N/A SER 692.A N SER 776.A OG no hydrogen 2.621 N/A SER 692.A OG SER 776.A OG no hydrogen 2.895 N/A GLU 693.A N SER 776.A OG no hydrogen 3.028 N/A PHE 694.A N TYR 731.A O no hydrogen 2.793 N/A PHE 695.A N LYS 774.A O no hydrogen 2.718 N/A ILE 696.A N SER 729.A O no hydrogen 2.882 N/A ARG 697.A N SER 772.A O no hydrogen 2.835 N/A ARG 697.A NE ASP 726.A OD2 no hydrogen 2.948 N/A ARG 697.A NH2 ASP 726.A OD2 no hydrogen 3.018 N/A THR 698.A N GLY 727.A O no hydrogen 2.940 N/A THR 698.A OG1 SER 706.A OG no hydrogen 3.014 N/A GLN 699.A N GLY 769.A O no hydrogen 2.824 N/A GLN 699.A NE2 PRO 767.A O no hydrogen 3.070 N/A GLY 700.A N MET 725.A O no hydrogen 3.264 N/A GLY 701.A N MET 725.A O no hydrogen 3.188 N/A SER 702.A OG PRO 308.A O no hydrogen 3.124 N/A PHE 704.A N GLY 701.A O no hydrogen 3.185 N/A SER 706.A N TRP 718.A O no hydrogen 2.957 N/A SER 706.A OG THR 698.A OG1 no hydrogen 3.014 N/A SER 707.A N VAL 747.A O no hydrogen 3.042 N/A SER 707.A OG SER 717.A OG no hydrogen 2.901 N/A VAL 708.A N GLY 716.A O no hydrogen 3.054 N/A TRP 709.A N THR 745.A O no hydrogen 2.995 N/A LEU 710.A N THR 713.A O no hydrogen 2.724 N/A ASN 711.A N VAL 743.A O no hydrogen 2.831 N/A THR 713.A N LEU 710.A O no hydrogen 2.756 N/A TYR 714.A OH SER 717.A OG no hydrogen 2.596 N/A LEU 715.A N VAL 708.A O no hydrogen 2.992 N/A SER 717.A OG SER 707.A OG no hydrogen 2.901 N/A SER 717.A OG TYR 714.A OH no hydrogen 2.596 N/A SER 717.A OG LEU 916.A O no hydrogen 3.385 N/A TRP 718.A N SER 706.A O no hydrogen 2.668 N/A ALA 724.A N ALA 721.A O no hydrogen 3.293 N/A GLY 727.A N THR 698.A O no hydrogen 2.737 N/A SER 729.A N ILE 696.A O no hydrogen 2.996 N/A SER 729.A OG TYR 731.A OH no hydrogen 3.423 N/A TYR 731.A N PHE 694.A O no hydrogen 3.018 N/A LYS 732.A NZ GLU 693.A OE1 no hydrogen 2.368 N/A LEU 733.A N SER 692.A O no hydrogen 2.628 N/A GLN 735.A NE2 GLY 689.A O no hydrogen 3.204 N/A GLU 737.A N TYR 742.A OH no hydrogen 3.020 N/A GLY 739.A N ALA 687.A O no hydrogen 3.000 N/A LYS 740.A N GLU 737.A O no hydrogen 3.124 N/A LYS 740.A NZ GLU 737.A OE2 no hydrogen 3.183 N/A TYR 742.A N PHE 685.A O no hydrogen 2.735 N/A VAL 743.A N ASN 711.A OD1 no hydrogen 2.761 N/A ILE 744.A N GLY 683.A O no hydrogen 2.842 N/A THR 745.A N TRP 709.A O no hydrogen 2.930 N/A VAL 746.A N TYR 681.A O no hydrogen 2.767 N/A VAL 747.A N SER 707.A O no hydrogen 2.922 N/A ILE 748.A N LEU 679.A O no hydrogen 2.682 N/A ASP 749.A N GLY 705.A O no hydrogen 2.920 N/A ASN 750.A ND2 HIS 675.A O no hydrogen 2.984 N/A LEU 751.A N GLY 700.A O no hydrogen 2.965 N/A GLY 752.A N ASN 750.A OD1 no hydrogen 2.848 N/A LEU 753.A N SER 105.A OG no hydrogen 3.064 N/A ASN 756.A N TYR 99.A OH no hydrogen 2.643 N/A ASN 756.A ND2 ASN 756.A O no hydrogen 3.085 N/A TRP 757.A NE1 GLU 161.A OE1 no hydrogen 3.041 N/A GLU 761.A N THR 758.A O no hydrogen 3.139 N/A THR 763.A OG1 GLU 755.A O no hydrogen 2.704 N/A MET 764.A N ASN 756.A OD1 no hydrogen 2.990 N/A LYS 765.A N GLU 762.A O no hydrogen 3.157 N/A LYS 765.A NZ VAL 116.A O no hydrogen 3.495 N/A LYS 765.A NZ GLY 118.A O no hydrogen 2.788 N/A LYS 765.A NZ THR 657.A OG1 no hydrogen 3.033 N/A LYS 765.A NZ GLU 762.A OE1 no hydrogen 3.397 N/A LYS 765.A NZ GLU 762.A OE2 no hydrogen 2.970 N/A ASN 766.A N THR 763.A O no hydrogen 3.062 N/A ASN 766.A ND2 ASP 754.A OD2 no hydrogen 2.567 N/A ARG 768.A NE ASN 750.A OD1 no hydrogen 3.260 N/A ARG 768.A NE GLY 752.A O no hydrogen 2.956 N/A ARG 768.A NH1 PRO 767.A O no hydrogen 3.169 N/A ARG 768.A NH2 GLY 752.A O no hydrogen 2.785 N/A ARG 768.A NH2 ASP 754.A OD1 no hydrogen 3.117 N/A GLY 769.A N GLN 699.A O no hydrogen 2.903 N/A ILE 770.A N LEU 667.A O no hydrogen 3.407 N/A LEU 771.A N ARG 697.A O no hydrogen 2.800 N/A TYR 773.A OH ALA 780.A O no hydrogen 2.788 N/A LYS 774.A N PHE 695.A O no hydrogen 2.858 N/A SER 776.A N GLU 693.A O no hydrogen 2.940 N/A SER 776.A OG SER 692.A OG no hydrogen 2.895 N/A GLN 778.A N LEU 775.A O no hydrogen 3.006 N/A GLN 778.A NE2 VAL 686.A O no hydrogen 2.755 N/A GLN 778.A NE2 GLU 691.A OE2 no hydrogen 3.367 N/A SER 781.A N ASP 779.A OD2 no hydrogen 3.073 N/A SER 781.A OG ASP 779.A OD2 no hydrogen 2.839 N/A ALA 782.A N ASP 779.A O no hydrogen 2.751 N/A ILE 783.A N ALA 780.A O no hydrogen 3.261 N/A THR 784.A N HIS 684.A O no hydrogen 2.975 N/A TRP 785.A NE1 TYR 773.A OH no hydrogen 3.234 N/A LYS 786.A N ARG 682.A O no hydrogen 2.732 N/A LYS 786.A NZ TRP 646.A O no hydrogen 3.454 N/A LYS 786.A NZ SER 648.A OG no hydrogen 3.152 N/A LEU 787.A N VAL 647.A O no hydrogen 3.257 N/A THR 788.A N ILE 680.A O no hydrogen 2.926 N/A THR 788.A OG1 GLY 789.A O no hydrogen 2.786 N/A THR 788.A OG1 TYR 956.A OH no hydrogen 2.760 N/A ASN 790.A ND2 GLY 793.A O no hydrogen 2.958 N/A GLY 793.A N ASN 790.A O no hydrogen 2.921 N/A ASP 795.A N GLY 792.A O no hydrogen 2.754 N/A GLN 797.A NE2 ASP 795.A O no hydrogen 3.095 N/A LYS 799.A NZ TYR 796.A O no hydrogen 2.906 N/A ARG 801.A N ASP 798.A OD1 no hydrogen 2.879 N/A ARG 801.A NH1 ASP 798.A OD2 no hydrogen 2.583 N/A ARG 801.A NH1 GLN 818.A OE1 no hydrogen 3.211 N/A ARG 801.A NH2 ASN 877.A O no hydrogen 3.042 N/A ARG 801.A NH2 PRO 947.A O no hydrogen 3.029 N/A GLY 802.A N ASP 798.A O no hydrogen 3.019 N/A ASN 805.A ND2 GLY 878.A O no hydrogen 3.030 N/A GLY 807.A N GLU 812.A OE2 no hydrogen 2.856 N/A LEU 809.A N GLU 812.A OE1 no hydrogen 3.123 N/A ALA 811.A N THR 633.A OG1 no hydrogen 2.968 N/A ARG 813.A N LEU 809.A O no hydrogen 2.760 N/A ARG 813.A NE TYR 956.A O no hydrogen 2.893 N/A ARG 813.A NH1 GLU 636.A OE2 no hydrogen 2.859 N/A ARG 813.A NH1 GLY 808.A O no hydrogen 2.725 N/A ARG 813.A NH2 GLU 636.A OE2 no hydrogen 2.687 N/A ARG 813.A NH2 TYR 956.A O no hydrogen 3.353 N/A ARG 813.A NH2 TYR 956.A OXT no hydrogen 3.363 N/A GLN 814.A N TYR 810.A O no hydrogen 3.068 N/A GLY 815.A N GLU 812.A O no hydrogen 3.065 N/A PHE 816.A N ALA 811.A O no hydrogen 2.823 N/A GLN 818.A N GLY 815.A O no hydrogen 3.282 N/A GLN 818.A NE2 GLY 815.A O no hydrogen 3.126 N/A SER 823.A N PRO 821.A O no hydrogen 2.802 N/A TRP 826.A N SER 823.A O no hydrogen 2.935 N/A GLY 829.A N TRP 628.A O no hydrogen 3.146 N/A SER 830.A N GLU 833.A OE1 no hydrogen 3.089 N/A LEU 832.A N SER 830.A OG no hydrogen 2.948 N/A GLU 833.A N SER 830.A O no hydrogen 2.991 N/A GLY 834.A N SER 830.A O no hydrogen 3.031 N/A LEU 835.A N ALA 921.A O no hydrogen 2.747 N/A GLY 839.A N ALA 915.A O no hydrogen 3.460 N/A GLY 841.A N LEU 913.A O no hydrogen 2.837 N/A PHE 842.A N LEU 631.A O no hydrogen 2.617 N/A TYR 843.A N LEU 911.A O no hydrogen 2.677 N/A THR 844.A N LYS 629.A O no hydrogen 2.922 N/A ALA 845.A N VAL 909.A O no hydrogen 3.098 N/A PHE 847.A N ASN 907.A O no hydrogen 2.963 N/A LEU 849.A N GLY 905.A O no hydrogen 2.945 N/A LEU 851.A N TYR 903.A O no hydrogen 2.882 N/A ASP 856.A N VAL 934.A O no hydrogen 2.802 N/A TYR 860.A N SER 929.A O no hydrogen 2.917 N/A TYR 860.A OH THR 931.A OG1 no hydrogen 3.125 N/A PHE 861.A N PHE 894.A O no hydrogen 2.802 N/A ASN 862.A N GLU 927.A O no hydrogen 2.837 N/A ASN 862.A ND2 SER 929.A OG no hydrogen 2.927 N/A PHE 863.A N THR 892.A O no hydrogen 2.832 N/A GLY 864.A N SER 925.A O no hydrogen 2.965 N/A ASN 866.A ND2 GLN 868.A OE1 no hydrogen 2.942 N/A ASN 866.A ND2 LYS 922.A O no hydrogen 3.007 N/A THR 867.A N ASN 865.A OD1 no hydrogen 3.047 N/A THR 867.A OG1 ASN 866.A O no hydrogen 2.615 N/A GLN 868.A N ASN 866.A OD1 no hydrogen 3.055 N/A ALA 869.A N GLU 917.A OE1 no hydrogen 2.962 N/A ALA 870.A N GLN 868.A O no hydrogen 2.896 N/A ARG 871.A N TRP 914.A O no hydrogen 2.952 N/A ARG 871.A NH1 ALA 703.A O no hydrogen 3.061 N/A ARG 871.A NH1 ASP 749.A OD2 no hydrogen 2.570 N/A ARG 871.A NH2 ALA 703.A O no hydrogen 2.808 N/A ARG 871.A NH2 THR 719.A O no hydrogen 3.445 N/A ALA 872.A N PHE 884.A O no hydrogen 2.651 N/A GLN 873.A N SER 912.A O no hydrogen 3.205 N/A GLN 873.A NE2 SER 912.A OG no hydrogen 3.310 N/A LEU 874.A N GLY 882.A O no hydrogen 2.843 N/A TYR 875.A N ALA 910.A O no hydrogen 2.797 N/A TYR 875.A OH GLU 812.A OE2 no hydrogen 2.143 N/A VAL 876.A N TYR 879.A O no hydrogen 2.776 N/A ASN 877.A N TYR 908.A O no hydrogen 2.814 N/A ASN 877.A ND2 ILE 900.A O no hydrogen 2.870 N/A ASN 877.A ND2 ASN 907.A OD1 no hydrogen 2.975 N/A TYR 879.A N VAL 876.A O no hydrogen 3.017 N/A TYR 879.A OH GLU 945.A O no hydrogen 2.842 N/A GLN 880.A N ASN 805.A OD1 no hydrogen 2.923 N/A GLN 880.A NE2 ASN 304.A OD1 no hydrogen 3.148 N/A TYR 881.A N LEU 874.A O no hydrogen 2.963 N/A GLY 882.A N GLN 880.A OE1 no hydrogen 2.923 N/A LYS 883.A N THR 312.A OG1 no hydrogen 2.905 N/A LYS 883.A NZ ASP 749.A OD1 no hydrogen 2.688 N/A PHE 884.A N ALA 872.A O no hydrogen 2.788 N/A GLY 886.A N ALA 870.A O no hydrogen 2.941 N/A ASN 887.A ND2 THR 719.A O no hydrogen 3.159 N/A VAL 888.A N THR 885.A O no hydrogen 3.166 N/A GLY 889.A N THR 885.A O no hydrogen 3.051 N/A GLN 891.A NE2 SER 893.A O no hydrogen 3.098 N/A SER 893.A OG ASN 862.A OD1 no hydrogen 3.056 N/A PHE 894.A N PHE 861.A O no hydrogen 2.645 N/A VAL 896.A N LEU 859.A O no hydrogen 3.271 N/A GLY 899.A N LEU 901.A O no hydrogen 2.894 N/A ILE 900.A N PRO 897.A O no hydrogen 3.221 N/A LEU 901.A N PRO 897.A O no hydrogen 3.016 N/A ASN 902.A N ASN 907.A OD1 no hydrogen 2.664 N/A ASN 902.A ND2 THR 906.A O no hydrogen 3.032 N/A ASN 902.A ND2 GLN 946.A OE1 no hydrogen 2.955 N/A TYR 903.A OH VAL 857.A O no hydrogen 2.592 N/A ARG 904.A NH1 LEU 851.A O no hydrogen 2.948 N/A GLY 905.A N LEU 849.A O no hydrogen 3.142 N/A THR 906.A OG1 ASP 848.A OD1 no hydrogen 2.919 N/A ASN 907.A N PHE 847.A O no hydrogen 2.854 N/A ASN 907.A ND2 ASN 902.A O no hydrogen 3.080 N/A TYR 908.A N ASN 877.A OD1 no hydrogen 2.812 N/A VAL 909.A N ALA 845.A O no hydrogen 2.836 N/A ALA 910.A N TYR 875.A O no hydrogen 2.956 N/A LEU 911.A N TYR 843.A O no hydrogen 2.778 N/A SER 912.A N GLN 873.A O no hydrogen 3.091 N/A LEU 913.A N GLY 841.A O no hydrogen 2.897 N/A TRP 914.A N ARG 871.A O no hydrogen 2.785 N/A TRP 914.A NE1 SER 707.A OG no hydrogen 3.115 N/A ALA 915.A N GLY 839.A O no hydrogen 2.890 N/A LEU 916.A N ALA 869.A O no hydrogen 2.990 N/A ASP 919.A N ASP 919.A OD1 no hydrogen 2.527 N/A GLY 920.A N GLU 917.A O no hydrogen 3.004 N/A ALA 921.A N LEU 835.A O no hydrogen 3.086 N/A LYS 922.A N GLN 868.A OE1 no hydrogen 2.871 N/A LEU 923.A N PRO 831.A O no hydrogen 3.085 N/A GLU 927.A N ASN 862.A O no hydrogen 3.114 N/A SER 929.A N TYR 860.A O no hydrogen 2.953 N/A THR 931.A N PRO 858.A O no hydrogen 3.332 N/A THR 931.A OG1 TYR 860.A OH no hydrogen 3.125 N/A VAL 934.A N ASP 856.A O no hydrogen 2.927 N/A LEU 935.A N PHE 572.A O no hydrogen 2.854 N/A THR 936.A N GLY 854.A O no hydrogen 2.993 N/A THR 936.A OG1 ASP 571.A OD1 no hydrogen 3.237 N/A THR 936.A OG1 ASP 571.A OD2 no hydrogen 2.845 N/A GLY 937.A N ASP 571.A OD1 no hydrogen 3.221 N/A TYR 938.A N THR 936.A OG1 no hydrogen 3.052 N/A TYR 938.A OH SER 37.A O no hydrogen 2.616 N/A GLU 942.A N SER 37.A OG no hydrogen 2.878 N/A SER 943.A OG GLY 899.A O no hydrogen 2.639 N/A SER 943.A OG ASN 902.A OD1 no hydrogen 2.748 N/A GLN 946.A NE2 GLY 899.A O no hydrogen 2.910 N/A GLN 946.A NE2 ASN 902.A OD1 no hydrogen 3.021 N/A LYS 948.A NZ GLU 950.A OE2 no hydrogen 2.645 N/A TYR 949.A N PRO 819.A O no hydrogen 2.763 N/A ARG 952.A NH1 GLU 806.A OE2 no hydrogen 2.791 N/A ARG 952.A NH1 ARG 813.A O no hydrogen 2.997 N/A ARG 952.A NH2 GLU 806.A OE1 no hydrogen 2.861 N/A ARG 952.A NH2 GLU 806.A OE2 no hydrogen 3.558 N/A ALA 955.A N ARG 952.A O no hydrogen 3.445 N/A TYR 956.A OH THR 788.A OG1 no hydrogen 2.760 N/A