Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ig3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ASP 6.A OD1 no hydrogen 2.651 N/A ALA 5.A N THR 2.A OG1 no hydrogen 2.903 N/A ASP 6.A N THR 2.A O no hydrogen 3.105 N/A ARG 7.A N GLN 3.A O no hydrogen 2.923 N/A THR 8.A N ASP 4.A O no hydrogen 2.848 N/A THR 8.A OG1 ASP 4.A O no hydrogen 3.477 N/A THR 8.A OG1 ALA 5.A O no hydrogen 3.050 N/A LEU 9.A N ALA 5.A O no hydrogen 2.952 N/A LYS 10.A N ASP 6.A O no hydrogen 3.076 N/A ARG 11.A N ARG 7.A O no hydrogen 3.225 N/A LEU 12.A N THR 8.A O no hydrogen 3.050 N/A GLN 13.A N LEU 9.A O no hydrogen 2.964 N/A LEU 14.A N LYS 10.A O no hydrogen 3.114 N/A GLN 15.A N ARG 11.A O no hydrogen 2.827 N/A MET 16.A N LEU 12.A O no hydrogen 3.019 N/A ASP 17.A N GLN 13.A O no hydrogen 2.967 N/A ASN 18.A N LEU 14.A O no hydrogen 2.787 N/A LEU 19.A N GLN 15.A O no hydrogen 3.305 N/A GLU 20.A N MET 16.A O no hydrogen 2.977 N/A SER 21.A N ASP 17.A O no hydrogen 3.138 N/A SER 21.A N ASN 18.A O no hydrogen 2.998 N/A SER 21.A OG ASP 17.A O no hydrogen 3.024 N/A ARG 22.A N ASN 18.A O no hydrogen 3.207 N/A ARG 22.A NH2 GLU 343.A OE2 no hydrogen 3.510 N/A VAL 23.A N GLU 20.A O no hydrogen 3.358 N/A CYS 27.A N VAL 23.A O no hydrogen 2.814 N/A CYS 27.A SG VAL 23.A O no hydrogen 3.215 N/A CYS 27.A SG LEU 350.A O no hydrogen 4.016 N/A CYS 27.A SG ALA 351.A O no hydrogen 3.332 N/A LYS 28.A N ALA 24.A O no hydrogen 3.232 N/A GLU 29.A N LEU 25.A O no hydrogen 3.284 N/A ALA 30.A N GLU 26.A O no hydrogen 2.901 N/A PHE 31.A N CYS 27.A O no hydrogen 2.859 N/A ALA 32.A N LYS 28.A O no hydrogen 3.203 N/A GLU 33.A N GLU 29.A O no hydrogen 2.992 N/A LEU 34.A N ALA 30.A O no hydrogen 2.889 N/A GLN 35.A N PHE 31.A O no hydrogen 2.707 N/A THR 36.A N ALA 32.A O no hydrogen 3.083 N/A THR 36.A OG1 GLU 33.A O no hydrogen 3.262 N/A ASP 37.A N GLU 33.A O no hydrogen 2.963 N/A ILE 38.A N LEU 34.A O no hydrogen 2.726 N/A ASN 39.A N GLN 35.A O no hydrogen 2.853 N/A LEU 41.A N ASP 37.A O no hydrogen 3.339 N/A THR 42.A OG1 ILE 38.A O no hydrogen 2.883 N/A THR 42.A OG1 ASN 43.A OD1 no hydrogen 2.833 N/A ASN 43.A N ASN 39.A O no hydrogen 3.221 N/A PHE 49.A N ILE 47.A O no hydrogen 2.910 N/A LEU 50.A N VAL 426.A O no hydrogen 2.982 N/A TYR 52.A OH GLN 126.A OE1 no hydrogen 2.794 N/A ARG 53.A NH2 ASP 511.A O no hydrogen 3.159 N/A THR 54.A N ASP 51.A OD2 no hydrogen 2.949 N/A THR 54.A OG1 ASP 51.A OD2 no hydrogen 2.661 N/A TYR 55.A N ASP 51.A O no hydrogen 3.050 N/A TYR 55.A OH THR 174.A O no hydrogen 2.706 N/A ALA 56.A N TYR 52.A O no hydrogen 2.794 N/A VAL 57.A N ARG 53.A O no hydrogen 3.211 N/A ARG 58.A N THR 54.A O no hydrogen 2.930 N/A ARG 58.A NH1 GLN 424.A O no hydrogen 2.652 N/A VAL 59.A N TYR 55.A O no hydrogen 3.063 N/A LEU 60.A N ALA 56.A O no hydrogen 2.815 N/A PHE 61.A N VAL 57.A O no hydrogen 2.805 N/A ILE 64.A N PHE 61.A O no hydrogen 3.246 N/A VAL 69.A N HIS 67.A ND1 no hydrogen 3.026 N/A LEU 70.A N HIS 67.A O no hydrogen 2.823 N/A LYS 71.A N PRO 68.A O no hydrogen 2.995 N/A GLU 80.A N PRO 76.A O no hydrogen 2.932 N/A LYS 81.A N PRO 77.A O no hydrogen 2.904 N/A ALA 82.A N ASN 78.A O no hydrogen 3.002 N/A LEU 83.A N VAL 79.A O no hydrogen 2.850 N/A ARG 84.A N GLU 80.A O no hydrogen 2.936 N/A ARG 84.A NE GLU 80.A OE2 no hydrogen 3.072 N/A ARG 84.A NH1 GLU 80.A OE2 no hydrogen 3.153 N/A LEU 85.A N LYS 81.A O no hydrogen 3.278 N/A PHE 86.A N ALA 82.A O no hydrogen 2.958 N/A GLY 87.A N LEU 83.A O no hydrogen 2.781 N/A GLN 88.A N ARG 84.A O no hydrogen 3.150 N/A LEU 89.A N LEU 85.A O no hydrogen 3.148 N/A LEU 90.A N PHE 86.A O no hydrogen 3.134 N/A HIS 91.A N GLN 88.A O no hydrogen 3.057 N/A SER 92.A N LEU 89.A O no hydrogen 2.900 N/A ARG 93.A NH2 GLN 138.A OE1 no hydrogen 3.427 N/A PHE 95.A N SER 92.A OG no hydrogen 3.193 N/A LEU 96.A N SER 92.A O no hydrogen 2.935 N/A LEU 97.A N ARG 93.A O no hydrogen 2.967 N/A THR 98.A N ALA 94.A O no hydrogen 3.069 N/A THR 98.A OG1 ALA 94.A O no hydrogen 2.770 N/A PHE 99.A N PHE 95.A O no hydrogen 2.682 N/A ILE 100.A N LEU 96.A O no hydrogen 2.990 N/A HIS 101.A N LEU 97.A O no hydrogen 2.990 N/A HIS 101.A NE2 ASP 142.A OD2 no hydrogen 3.123 N/A THR 102.A N THR 98.A O no hydrogen 2.872 N/A THR 102.A OG1 THR 98.A O no hydrogen 2.816 N/A THR 102.A OG1 SER 535.A OG no hydrogen 2.916 N/A LEU 103.A N PHE 99.A O no hydrogen 3.114 N/A GLU 104.A N ILE 100.A O no hydrogen 3.067 N/A ALA 105.A N HIS 101.A O no hydrogen 3.197 N/A ALA 105.A N THR 102.A O no hydrogen 3.096 N/A GLN 106.A N LEU 103.A O no hydrogen 3.029 N/A GLN 106.A NE2 THR 102.A O no hydrogen 2.945 N/A SER 108.A OG TYR 528.A OH no hydrogen 2.823 N/A PHE 109.A N GLN 106.A O no hydrogen 3.177 N/A SER 110.A N ASP 113.A OD2 no hydrogen 2.942 N/A SER 110.A OG ASP 113.A OD2 no hydrogen 3.113 N/A ASP 113.A N SER 110.A OG no hydrogen 3.130 N/A ARG 114.A N SER 110.A O no hydrogen 2.911 N/A ARG 114.A NE GLU 162.A O no hydrogen 3.065 N/A ARG 114.A NH2 GLU 162.A O no hydrogen 2.877 N/A GLY 115.A N MET 111.A O no hydrogen 3.208 N/A THR 116.A N ARG 112.A O no hydrogen 3.000 N/A THR 116.A OG1 ARG 112.A O no hydrogen 3.077 N/A VAL 117.A N ASP 113.A O no hydrogen 2.829 N/A ALA 118.A N ARG 114.A O no hydrogen 2.995 N/A SER 119.A N GLY 115.A O no hydrogen 2.915 N/A SER 119.A OG LEU 60.A O no hydrogen 2.796 N/A SER 119.A OG GLY 115.A O no hydrogen 3.241 N/A SER 119.A OG ASN 171.A OD1 no hydrogen 3.361 N/A LEU 120.A N THR 116.A O no hydrogen 2.934 N/A THR 121.A N VAL 117.A O no hydrogen 2.908 N/A THR 121.A OG1 VAL 117.A O no hydrogen 2.741 N/A MET 122.A N ALA 118.A O no hydrogen 3.239 N/A VAL 123.A N SER 119.A O no hydrogen 3.078 N/A ALA 124.A N LEU 120.A O no hydrogen 2.939 N/A LEU 125.A N THR 121.A O no hydrogen 2.983 N/A GLN 126.A N VAL 123.A O no hydrogen 3.182 N/A GLN 126.A NE2 GLN 126.A O no hydrogen 2.795 N/A ARG 128.A N LEU 125.A O no hydrogen 2.806 N/A ARG 128.A NH1 HIS 91.A ND1 no hydrogen 3.306 N/A LEU 129.A N SER 505.A OG no hydrogen 2.645 N/A TYR 131.A N ASP 130.A OD1 no hydrogen 2.767 N/A TYR 131.A OH LEU 90.A O no hydrogen 2.624 N/A ALA 132.A N ARG 128.A O no hydrogen 3.001 N/A THR 133.A N LEU 129.A O no hydrogen 2.930 N/A THR 133.A OG1 LEU 129.A O no hydrogen 2.755 N/A GLY 134.A N ASP 130.A O no hydrogen 3.399 N/A LEU 135.A N TYR 131.A O no hydrogen 3.094 N/A LEU 136.A N ALA 132.A O no hydrogen 2.781 N/A LYS 137.A N THR 133.A O no hydrogen 3.028 N/A LYS 137.A NZ TYR 383.A OH no hydrogen 2.956 N/A GLN 138.A N GLY 134.A O no hydrogen 3.195 N/A GLN 138.A NE2 ASP 142.A OD1 no hydrogen 2.757 N/A LEU 139.A N LEU 135.A O no hydrogen 2.965 N/A LEU 140.A N LEU 136.A O no hydrogen 2.892 N/A ALA 141.A N LYS 137.A O no hydrogen 2.818 N/A ASP 142.A N GLN 138.A O no hydrogen 2.739 N/A LEU 143.A N LEU 139.A O no hydrogen 2.901 N/A ILE 144.A N LEU 140.A O no hydrogen 2.868 N/A GLU 145.A N ALA 141.A O no hydrogen 2.857 N/A LYS 146.A N ASP 142.A O no hydrogen 2.985 N/A ASN 147.A N LEU 143.A O no hydrogen 3.100 N/A LEU 148.A N ILE 144.A O no hydrogen 2.955 N/A GLU 149.A N GLU 145.A O no hydrogen 2.984 N/A SER 150.A N LYS 146.A O no hydrogen 2.731 N/A SER 150.A OG LYS 146.A O no hydrogen 2.987 N/A ASN 152.A N ASN 147.A O no hydrogen 2.948 N/A LEU 157.A N PRO 154.A O no hydrogen 2.921 N/A THR 161.A OG1 GLU 166.A OE1 no hydrogen 3.175 N/A THR 161.A OG1 GLU 166.A OE2 no hydrogen 2.612 N/A SER 163.A N GLU 166.A OE2 no hydrogen 2.893 N/A SER 163.A OG GLU 166.A OE2 no hydrogen 2.663 N/A VAL 164.A N GLU 104.A OE2 no hydrogen 2.603 N/A GLU 166.A N SER 163.A OG no hydrogen 3.178 N/A LYS 167.A N SER 163.A O no hydrogen 3.268 N/A LYS 167.A NZ GLU 162.A OE2 no hydrogen 3.027 N/A MET 168.A N VAL 164.A O no hydrogen 2.815 N/A LEU 169.A N ALA 165.A O no hydrogen 2.882 N/A THR 170.A N GLU 166.A O no hydrogen 3.062 N/A THR 170.A OG1 GLU 166.A O no hydrogen 3.195 N/A ASN 171.A N LYS 167.A O no hydrogen 2.999 N/A TRP 172.A N MET 168.A O no hydrogen 2.749 N/A TRP 172.A NE1 THR 133.A OG1 no hydrogen 2.929 N/A PHE 173.A N LEU 169.A O no hydrogen 2.878 N/A THR 174.A N THR 170.A O no hydrogen 2.865 N/A THR 174.A OG1 THR 170.A O no hydrogen 2.763 N/A PHE 175.A N ASN 171.A O no hydrogen 2.926 N/A LEU 176.A N TRP 172.A O no hydrogen 3.072 N/A LEU 177.A N PHE 173.A O no hydrogen 2.823 N/A LYS 179.A NZ GLN 504.A OE1 no hydrogen 2.721 N/A LEU 181.A N LEU 177.A O no hydrogen 3.075 N/A LYS 182.A N HIS 178.A O no hydrogen 2.948 N/A GLU 183.A N LYS 179.A O no hydrogen 2.862 N/A CYS 184.A N PHE 180.A O no hydrogen 2.752 N/A CYS 184.A SG HIS 372.A ND1 no hydrogen 3.909 N/A CYS 184.A SG SER 375.A OG no hydrogen 3.306 N/A ALA 185.A N PHE 180.A O no hydrogen 3.041 N/A GLY 186.A N LEU 181.A O no hydrogen 2.725 N/A LEU 189.A N ALA 185.A O no hydrogen 3.214 N/A PHE 190.A N GLY 186.A O no hydrogen 2.850 N/A LEU 191.A N GLU 187.A O no hydrogen 2.858 N/A LEU 192.A N PRO 188.A O no hydrogen 2.975 N/A TYR 193.A N LEU 189.A O no hydrogen 3.081 N/A TYR 193.A OH HIS 430.A O no hydrogen 2.598 N/A CYS 194.A N PHE 190.A O no hydrogen 2.969 N/A CYS 194.A SG PHE 190.A O no hydrogen 3.241 N/A ALA 195.A N LEU 191.A O no hydrogen 2.806 N/A ILE 196.A N LEU 192.A O no hydrogen 2.901 N/A LYS 197.A N TYR 193.A O no hydrogen 2.907 N/A LYS 197.A NZ ASP 263.A OD2 no hydrogen 2.748 N/A GLN 198.A N CYS 194.A O no hydrogen 2.869 N/A GLN 199.A N ALA 195.A O no hydrogen 2.859 N/A MET 200.A N ILE 196.A O no hydrogen 3.000 N/A GLU 201.A N LYS 197.A O no hydrogen 3.191 N/A LYS 202.A N GLN 199.A O no hydrogen 3.105 N/A LYS 202.A NZ ASP 37.A OD2 no hydrogen 2.813 N/A GLY 203.A N MET 200.A O no hydrogen 3.198 N/A ASP 206.A N GLU 211.A O no hydrogen 2.810 N/A ALA 207.A N HIS 335.A ND1 no hydrogen 2.860 N/A ILE 208.A N ASP 206.A OD1 no hydrogen 2.769 N/A THR 209.A N ASP 206.A OD1 no hydrogen 2.806 N/A THR 209.A OG1 GLU 211.A OE1 no hydrogen 2.785 N/A GLY 210.A N ASP 206.A O no hydrogen 2.942 N/A GLU 211.A N THR 209.A OG1 no hydrogen 3.203 N/A ALA 212.A N LYS 220.A O no hydrogen 2.815 N/A ARG 213.A N PRO 204.A O no hydrogen 3.013 N/A SER 215.A N ALA 212.A O no hydrogen 3.356 N/A SER 215.A OG SER 217.A O no hydrogen 2.585 N/A SER 217.A N SER 215.A OG no hydrogen 2.833 N/A LYS 220.A N SER 217.A O no hydrogen 3.145 N/A LEU 221.A N GLU 218.A O no hydrogen 3.304 N/A ILE 222.A N ALA 212.A O no hydrogen 3.034 N/A LYS 229.A N ASN 250.A OD1 no hydrogen 2.804 N/A LEU 231.A N VAL 248.A O no hydrogen 2.705 N/A THR 232.A N ASP 320.A OD1 no hydrogen 2.863 N/A LEU 233.A N VAL 246.A O no hydrogen 2.845 N/A HIS 234.A N SER 322.A O no hydrogen 3.023 N/A CYS 235.A N VAL 244.A O no hydrogen 2.672 N/A CYS 235.A SG VAL 324.A O no hydrogen 3.877 N/A VAL 236.A N VAL 324.A O no hydrogen 2.726 N/A CYS 237.A N ALA 242.A O no hydrogen 2.886 N/A VAL 244.A N CYS 235.A O no hydrogen 2.907 N/A VAL 246.A N LEU 233.A O no hydrogen 2.675 N/A VAL 248.A N LEU 231.A O no hydrogen 2.813 N/A LEU 249.A N ASP 252.A OD2 no hydrogen 2.782 N/A ASN 250.A N LYS 229.A O no hydrogen 2.997 N/A ASP 252.A N LEU 249.A O no hydrogen 3.044 N/A SER 253.A N GLN 256.A OE1 no hydrogen 3.057 N/A ILE 254.A N ASN 311.A O no hydrogen 3.240 N/A THR 255.A N ASP 296.A OD1 no hydrogen 2.990 N/A THR 255.A OG1 ASP 296.A OD2 no hydrogen 2.539 N/A GLN 256.A N SER 253.A OG no hydrogen 3.366 N/A GLN 256.A NE2 ILE 205.A O no hydrogen 2.862 N/A ALA 257.A N SER 253.A O no hydrogen 2.917 N/A LYS 258.A N ILE 254.A O no hydrogen 2.824 N/A LYS 258.A NZ ALA 277.A O no hydrogen 2.994 N/A LYS 258.A NZ MET 280.A O no hydrogen 2.891 N/A ASP 259.A N THR 255.A O no hydrogen 2.818 N/A LYS 260.A N GLN 256.A O no hydrogen 2.903 N/A LYS 260.A NZ GLU 201.A O no hydrogen 3.288 N/A LYS 260.A NZ ASP 252.A OD2 no hydrogen 2.677 N/A LEU 261.A N ALA 257.A O no hydrogen 2.883 N/A LEU 262.A N LYS 258.A O no hydrogen 2.843 N/A ASP 263.A N ASP 259.A O no hydrogen 3.013 N/A THR 264.A N LYS 260.A O no hydrogen 3.290 N/A VAL 265.A N LEU 261.A O no hydrogen 2.783 N/A TYR 266.A N LEU 262.A O no hydrogen 2.847 N/A LYS 267.A N THR 264.A O no hydrogen 3.062 N/A LYS 267.A NZ GLU 40.A O no hydrogen 3.091 N/A LYS 267.A NZ HIS 44.A O no hydrogen 3.530 N/A ILE 269.A N TYR 266.A O no hydrogen 2.891 N/A TYR 271.A N ASP 428.A O no hydrogen 3.461 N/A SER 272.A N ASP 428.A OD1 no hydrogen 2.977 N/A SER 272.A N ASP 428.A OD2 no hydrogen 3.404 N/A SER 272.A OG ASP 428.A OD1 no hydrogen 3.500 N/A SER 272.A OG ASP 428.A OD2 no hydrogen 2.671 N/A GLN 273.A N PRO 270.A O no hydrogen 3.048 N/A ARG 274.A N TYR 271.A O no hydrogen 2.889 N/A ARG 274.A NE ILE 269.A O no hydrogen 2.861 N/A ARG 274.A NH2 ILE 269.A O no hydrogen 2.910 N/A GLU 278.A N GLU 278.A OE1 no hydrogen 2.641 N/A ASP 279.A N LYS 276.A O no hydrogen 2.816 N/A MET 280.A N ALA 277.A O no hydrogen 3.057 N/A ASP 281.A N VAL 327.A O no hydrogen 2.611 N/A GLU 283.A N ALA 325.A O no hydrogen 2.937 N/A TRP 284.A N ILE 292.A O no hydrogen 2.601 N/A ARG 285.A N LEU 323.A O no hydrogen 3.071 N/A ARG 285.A NE GLU 283.A OE2 no hydrogen 2.574 N/A GLN 286.A N TRP 284.A O no hydrogen 3.275 N/A GLN 286.A N ALA 290.A O no hydrogen 3.130 N/A ILE 292.A N TRP 284.A O no hydrogen 3.108 N/A LEU 294.A N LEU 282.A O no hydrogen 2.686 N/A GLN 295.A N TYR 316.A OH no hydrogen 3.272 N/A THR 300.A N ASP 298.A OD1 no hydrogen 2.873 N/A THR 300.A OG1 ASP 298.A OD1 no hydrogen 2.623 N/A THR 301.A N ASP 298.A O no hydrogen 3.134 N/A THR 301.A OG1 ASP 298.A O no hydrogen 3.558 N/A GLU 304.A N TRP 307.A O no hydrogen 2.824 N/A TRP 307.A N GLU 304.A O no hydrogen 2.805 N/A LYS 308.A N LYS 332.A O no hydrogen 2.661 N/A LYS 308.A NZ GLU 297.A OE1 no hydrogen 2.861 N/A ARG 309.A N LYS 302.A O no hydrogen 3.047 N/A ARG 309.A NE HIS 335.A O no hydrogen 2.988 N/A ARG 309.A NH2 HIS 335.A O no hydrogen 3.446 N/A VAL 310.A N TRP 334.A O no hydrogen 2.817 N/A ASN 311.A N ASP 296.A O no hydrogen 2.859 N/A ASN 311.A ND2 GLN 295.A O no hydrogen 3.250 N/A ASN 311.A ND2 ASP 298.A OD1 no hydrogen 3.170 N/A ASN 311.A ND2 TYR 316.A OH no hydrogen 3.023 N/A LEU 313.A N ASP 252.A O no hydrogen 3.136 N/A ALA 314.A N ASN 250.A O no hydrogen 2.945 N/A HIS 315.A N SER 312.A OG no hydrogen 3.099 N/A HIS 315.A NE2 THR 300.A O no hydrogen 3.078 N/A TYR 316.A N LEU 313.A O no hydrogen 3.224 N/A TYR 316.A OH GLN 295.A O no hydrogen 3.097 N/A TYR 316.A OH ASP 298.A OD2 no hydrogen 2.589 N/A GLN 317.A N ALA 314.A O no hydrogen 2.922 N/A VAL 318.A N LEU 313.A O no hydrogen 3.025 N/A THR 319.A N SER 322.A OG no hydrogen 3.269 N/A THR 319.A OG1 SER 322.A OG no hydrogen 2.990 N/A GLY 321.A N THR 232.A O no hydrogen 2.740 N/A SER 322.A N THR 319.A O no hydrogen 3.016 N/A SER 322.A OG THR 319.A O no hydrogen 2.500 N/A VAL 324.A N HIS 234.A O no hydrogen 2.832 N/A ALA 325.A N GLU 283.A O no hydrogen 3.010 N/A VAL 327.A N ASP 281.A O no hydrogen 3.076 N/A LYS 329.A N ASP 279.A O no hydrogen 3.367 N/A LYS 329.A NZ GLU 278.A O no hydrogen 3.007 N/A LYS 332.A N ASP 306.A O no hydrogen 2.796 N/A TRP 334.A N LYS 308.A O no hydrogen 2.992 N/A HIS 335.A NE2 CYS 251.A O no hydrogen 2.806 N/A LEU 336.A N ASP 206.A OD2 no hydrogen 2.838 N/A VAL 337.A N ASP 206.A OD2 no hydrogen 2.905 N/A LEU 346.A N SER 342.A O no hydrogen 3.034 N/A THR 347.A N GLU 343.A O no hydrogen 2.892 N/A THR 347.A OG1 ILE 344.A O no hydrogen 2.946 N/A ARG 348.A N ILE 344.A O no hydrogen 3.280 N/A LEU 349.A N TYR 345.A O no hydrogen 3.020 N/A LEU 350.A N LEU 346.A O no hydrogen 3.036 N/A ALA 351.A N THR 347.A O no hydrogen 2.909 N/A THR 352.A N ARG 348.A O no hydrogen 3.131 N/A THR 352.A OG1 TYR 214.A O no hydrogen 2.884 N/A THR 352.A OG1 ARG 348.A O no hydrogen 3.496 N/A LYS 353.A N LEU 349.A O no hydrogen 2.785 N/A LYS 353.A NZ ASP 471.A OD2 no hydrogen 2.593 N/A GLY 354.A N LEU 350.A O no hydrogen 2.794 N/A THR 355.A N ALA 351.A O no hydrogen 2.935 N/A THR 355.A OG1 ALA 351.A O no hydrogen 2.727 N/A LEU 356.A N THR 352.A O no hydrogen 2.959 N/A VAL 360.A N LEU 356.A O no hydrogen 3.276 N/A ASP 361.A N GLN 357.A O no hydrogen 2.898 N/A ASP 362.A N LYS 358.A O no hydrogen 2.976 N/A LEU 363.A N PHE 359.A O no hydrogen 3.304 N/A PHE 364.A N VAL 360.A O no hydrogen 3.018 N/A GLU 365.A N ASP 361.A O no hydrogen 2.923 N/A THR 366.A N ASP 362.A O no hydrogen 3.159 N/A THR 366.A OG1 LEU 363.A O no hydrogen 3.529 N/A VAL 367.A N LEU 363.A O no hydrogen 2.974 N/A PHE 368.A N PHE 364.A O no hydrogen 3.062 N/A SER 369.A N THR 366.A O no hydrogen 3.214 N/A SER 369.A OG THR 366.A O no hydrogen 2.692 N/A SER 375.A N HIS 372.A O no hydrogen 2.676 N/A SER 375.A OG HIS 372.A O no hydrogen 2.921 N/A ILE 381.A N PRO 378.A O no hydrogen 3.186 N/A LYS 382.A NZ ASP 386.A OD1 no hydrogen 2.879 N/A LYS 382.A NZ ILE 486.A O no hydrogen 2.749 N/A LYS 382.A NZ MET 489.A O no hydrogen 2.950 N/A TYR 383.A N LEU 379.A O no hydrogen 2.867 N/A MET 384.A N ALA 380.A O no hydrogen 3.053 N/A PHE 385.A N ILE 381.A O no hydrogen 2.919 N/A ASP 386.A N LYS 382.A O no hydrogen 2.876 N/A PHE 387.A N TYR 383.A O no hydrogen 3.000 N/A LEU 388.A N MET 384.A O no hydrogen 2.889 N/A ASP 389.A N PHE 385.A O no hydrogen 2.952 N/A GLU 390.A N ASP 386.A O no hydrogen 2.903 N/A GLN 391.A N PHE 387.A O no hydrogen 2.908 N/A ALA 392.A N LEU 388.A O no hydrogen 2.995 N/A ASP 393.A N ASP 389.A O no hydrogen 2.813 N/A GLN 394.A N GLU 390.A O no hydrogen 2.833 N/A ARG 395.A N ALA 392.A O no hydrogen 3.085 N/A ARG 395.A NH1 GLU 145.A OE1 no hydrogen 2.782 N/A ARG 395.A NH2 GLN 391.A O no hydrogen 2.919 N/A GLN 396.A N ASP 393.A O no hydrogen 2.925 N/A ILE 397.A N ALA 392.A O no hydrogen 3.013 N/A ASP 401.A N ASP 399.A OD1 no hydrogen 3.074 N/A VAL 402.A N ASP 399.A O no hydrogen 3.057 N/A ARG 403.A NH2 ASP 393.A OD1 no hydrogen 2.655 N/A ARG 403.A NH2 ILE 397.A O no hydrogen 3.149 N/A HIS 404.A N PRO 400.A O no hydrogen 3.069 N/A THR 405.A N ASP 401.A O no hydrogen 2.996 N/A THR 405.A OG1 ASP 401.A O no hydrogen 2.676 N/A TRP 406.A N VAL 402.A O no hydrogen 2.895 N/A TRP 406.A NE1 PRO 154.A O no hydrogen 3.017 N/A LYS 407.A N ARG 403.A O no hydrogen 2.925 N/A LYS 407.A NZ ASP 389.A OD1 no hydrogen 2.813 N/A LYS 407.A NZ ASP 389.A OD2 no hydrogen 3.412 N/A SER 408.A N HIS 404.A O no hydrogen 2.944 N/A SER 408.A OG HIS 404.A O no hydrogen 3.138 N/A SER 408.A OG CYS 450.A O no hydrogen 2.810 N/A SER 408.A OG TYR 483.A OH no hydrogen 2.813 N/A ASN 409.A N THR 405.A O no hydrogen 2.784 N/A ASN 409.A ND2 LEU 157.A O no hydrogen 2.888 N/A CYS 410.A N TRP 406.A O no hydrogen 2.941 N/A CYS 410.A SG TRP 406.A O no hydrogen 3.165 N/A LEU 411.A N LYS 407.A O no hydrogen 3.055 N/A LEU 413.A N SER 408.A O no hydrogen 2.991 N/A ARG 414.A N LEU 411.A O no hydrogen 3.105 N/A ARG 414.A NH1 LEU 158.A O no hydrogen 2.635 N/A ARG 414.A NH2 LEU 158.A O no hydrogen 3.153 N/A TRP 416.A N LEU 411.A O no hydrogen 3.504 N/A VAL 417.A N PRO 412.A O no hydrogen 3.001 N/A ASN 418.A N ARG 414.A O no hydrogen 3.121 N/A VAL 419.A N PHE 415.A O no hydrogen 3.255 N/A ILE 420.A N TRP 416.A O no hydrogen 2.930 N/A LYS 421.A N VAL 417.A O no hydrogen 3.018 N/A ASN 422.A N ASN 418.A O no hydrogen 2.903 N/A ASN 422.A ND2 ASN 418.A O no hydrogen 3.155 N/A ASN 422.A ND2 ASN 418.A OD1 no hydrogen 3.361 N/A GLN 424.A N GLN 424.A OE1 no hydrogen 2.714 N/A GLN 424.A NE2 ASN 422.A OD1 no hydrogen 3.158 N/A PHE 425.A N ASN 422.A O no hydrogen 2.875 N/A VAL 426.A N PRO 423.A O no hydrogen 2.972 N/A PHE 427.A N PRO 423.A O no hydrogen 2.921 N/A ASP 428.A N PRO 48.A O no hydrogen 2.816 N/A LYS 431.A NZ LYS 421.A O no hydrogen 2.915 N/A LYS 431.A NZ ASN 422.A OD1 no hydrogen 3.087 N/A LYS 431.A NZ ASP 436.A OD1 no hydrogen 2.799 N/A ASP 436.A N ASN 432.A O no hydrogen 2.909 N/A ALA 437.A N SER 433.A O no hydrogen 2.992 N/A CYS 438.A N ILE 434.A O no hydrogen 3.066 N/A CYS 438.A SG ILE 434.A O no hydrogen 3.418 N/A LEU 439.A N THR 435.A O no hydrogen 2.941 N/A SER 440.A N ASP 436.A O no hydrogen 3.011 N/A SER 440.A OG ASP 436.A O no hydrogen 2.994 N/A VAL 441.A N ALA 437.A O no hydrogen 3.403 N/A VAL 442.A N CYS 438.A O no hydrogen 3.138 N/A ALA 443.A N LEU 439.A O no hydrogen 2.812 N/A GLN 444.A N SER 440.A O no hydrogen 3.038 N/A THR 445.A N VAL 441.A O no hydrogen 3.129 N/A THR 445.A OG1 VAL 441.A O no hydrogen 3.268 N/A PHE 446.A N VAL 442.A O no hydrogen 2.916 N/A MET 447.A N ALA 443.A O no hydrogen 2.811 N/A ASP 448.A N GLN 444.A O no hydrogen 2.925 N/A SER 449.A N THR 445.A O no hydrogen 3.023 N/A SER 449.A OG THR 445.A O no hydrogen 2.848 N/A CYS 450.A N MET 447.A O no hydrogen 2.998 N/A CYS 450.A SG PHE 446.A O no hydrogen 3.392 N/A SER 451.A N ASP 448.A O no hydrogen 3.251 N/A SER 453.A N SER 451.A OG no hydrogen 2.928 N/A SER 453.A OG GLU 454.A O no hydrogen 3.526 N/A SER 453.A OG GLU 454.A OE1 no hydrogen 3.436 N/A HIS 455.A NE2 ASP 448.A OD2 no hydrogen 3.244 N/A GLY 458.A N SER 461.A OG no hydrogen 2.875 N/A SER 461.A N GLY 458.A O no hydrogen 2.936 N/A SER 461.A OG ARG 456.A O no hydrogen 3.307 N/A SER 461.A OG GLY 458.A O no hydrogen 2.928 N/A ASN 464.A ND2 ASP 448.A OD2 no hydrogen 2.992 N/A LEU 466.A N PRO 462.A O no hydrogen 3.166 N/A LEU 467.A N SER 463.A O no hydrogen 2.757 N/A TYR 468.A N ASN 464.A O no hydrogen 2.936 N/A ALA 469.A N LEU 466.A O no hydrogen 3.398 N/A LYS 470.A NZ ASP 17.A OD1 no hydrogen 3.481 N/A ASP 471.A N TYR 468.A O no hydrogen 2.863 N/A ILE 472.A N TYR 468.A O no hydrogen 3.019 N/A TYR 475.A N ASP 471.A O no hydrogen 3.023 N/A TYR 475.A OH ASP 361.A OD1 no hydrogen 2.591 N/A LYS 476.A N ILE 472.A O no hydrogen 2.753 N/A LYS 476.A NZ SER 453.A O no hydrogen 2.873 N/A SER 477.A N PRO 473.A O no hydrogen 3.253 N/A SER 477.A OG ASN 474.A O no hydrogen 2.774 N/A TRP 478.A N ASN 474.A O no hydrogen 3.148 N/A VAL 479.A N TYR 475.A O no hydrogen 3.032 N/A GLU 480.A N LYS 476.A O no hydrogen 2.925 N/A ARG 481.A N SER 477.A O no hydrogen 3.007 N/A ARG 481.A NH1 PHE 368.A O no hydrogen 3.364 N/A ARG 481.A NH2 PHE 368.A O no hydrogen 3.466 N/A TYR 482.A N TRP 478.A O no hydrogen 2.903 N/A TYR 483.A N VAL 479.A O no hydrogen 3.090 N/A TYR 483.A OH SER 408.A OG no hydrogen 2.813 N/A ARG 484.A N GLU 480.A O no hydrogen 3.080 N/A ASP 485.A N ARG 481.A O no hydrogen 2.866 N/A ILE 486.A N TYR 482.A O no hydrogen 2.983 N/A ALA 487.A N TYR 483.A O no hydrogen 3.100 N/A LYS 488.A N ARG 484.A O no hydrogen 3.239 N/A MET 489.A N ILE 486.A O no hydrogen 3.166 N/A ASP 496.A N SER 493.A OG no hydrogen 3.029 N/A MET 497.A N SER 493.A O no hydrogen 2.926 N/A ASP 498.A N ASP 494.A O no hydrogen 2.865 N/A ALA 499.A N GLN 495.A O no hydrogen 2.929 N/A TYR 500.A N ASP 496.A O no hydrogen 2.983 N/A LEU 501.A N MET 497.A O no hydrogen 2.809 N/A VAL 502.A N ASP 498.A O no hydrogen 2.753 N/A GLU 503.A N ALA 499.A O no hydrogen 2.925 N/A GLN 504.A N TYR 500.A O no hydrogen 2.940 N/A SER 505.A N LEU 501.A O no hydrogen 2.906 N/A SER 505.A OG GLN 126.A O no hydrogen 3.062 N/A SER 505.A OG LEU 501.A O no hydrogen 3.363 N/A ARG 506.A N VAL 502.A O no hydrogen 2.917 N/A ARG 506.A NE GLU 503.A OE1 no hydrogen 3.250 N/A ARG 506.A NH2 GLU 503.A OE2 no hydrogen 3.037 N/A LEU 507.A N GLU 503.A O no hydrogen 2.945 N/A HIS 508.A N GLN 504.A O no hydrogen 3.207 N/A HIS 508.A ND1 ASP 511.A OD2 no hydrogen 2.718 N/A ALA 509.A N ARG 506.A O no hydrogen 3.487 N/A ASP 511.A N HIS 508.A O no hydrogen 3.101 N/A ASN 513.A N VAL 69.A O no hydrogen 2.773 N/A ASN 513.A ND2 LYS 71.A O no hydrogen 2.600 N/A SER 516.A N ASN 513.A OD1 no hydrogen 3.220 N/A SER 516.A OG PRO 68.A O no hydrogen 3.196 N/A SER 516.A OG LYS 71.A O no hydrogen 3.447 N/A ALA 517.A N ASN 513.A O no hydrogen 3.132 N/A LEU 518.A N VAL 514.A O no hydrogen 2.762 N/A SER 519.A N LEU 515.A O no hydrogen 2.914 N/A SER 519.A OG LEU 515.A O no hydrogen 3.434 N/A SER 519.A OG SER 516.A O no hydrogen 2.774 N/A GLU 520.A N SER 516.A O no hydrogen 3.128 N/A LEU 521.A N ALA 517.A O no hydrogen 2.958 N/A TYR 522.A N LEU 518.A O no hydrogen 2.869 N/A PHE 523.A N GLU 520.A O no hydrogen 3.290 N/A TYR 524.A N LEU 521.A O no hydrogen 3.024 N/A TYR 524.A OH ASP 113.A OD1 no hydrogen 2.700 N/A THR 526.A N TYR 522.A O no hydrogen 3.268 N/A THR 526.A OG1 PHE 523.A O no hydrogen 2.953 N/A LYS 527.A N PHE 523.A O no hydrogen 3.157 N/A TYR 528.A N TYR 524.A O no hydrogen 3.160 N/A TYR 528.A OH SER 108.A OG no hydrogen 2.823 N/A ARG 529.A N THR 526.A O no hydrogen 3.492 N/A GLU 531.A N GLU 531.A OE1 no hydrogen 2.534 N/A ILE 532.A N TYR 528.A O no hydrogen 2.973 N/A LEU 533.A N ARG 529.A O no hydrogen 3.044 N/A THR 534.A N GLN 530.A O no hydrogen 3.016 N/A THR 534.A OG1 GLN 530.A O no hydrogen 2.935 N/A SER 535.A N GLU 531.A O no hydrogen 2.975 N/A SER 535.A OG THR 102.A OG1 no hydrogen 2.916 N/A SER 535.A OG GLU 531.A O no hydrogen 3.243 N/A LEU 536.A N ILE 532.A O no hydrogen 2.897 N/A ASP 537.A N LEU 533.A O no hydrogen 3.071 N/A ASP 537.A N THR 534.A O no hydrogen 3.067 N/A ARG 538.A N THR 534.A O no hydrogen 2.944 N/A ARG 538.A N SER 535.A O no hydrogen 3.182 N/A ASP 539.A N SER 535.A O no hydrogen 2.996 N/A SER 541.A OG ASP 539.A OD2 no hydrogen 2.690 N/A CYS 542.A N ASP 539.A OD2 no hydrogen 3.231 N/A CYS 542.A SG ALA 94.A O no hydrogen 3.623 N/A CYS 542.A SG THR 98.A OG1 no hydrogen 3.164 N/A CYS 542.A SG ASP 539.A OD2 no hydrogen 3.069 N/A ARG 543.A N ASP 539.A O no hydrogen 3.235 N/A ARG 543.A NH1 ASP 537.A O no hydrogen 2.969 N/A ARG 543.A NH1 ARG 538.A O no hydrogen 2.953 N/A LYS 544.A N ALA 540.A O no hydrogen 3.152 N/A HIS 545.A ND1 SER 541.A O no hydrogen 3.225 N/A LYS 546.A N ARG 543.A O no hydrogen 2.727 N/A LEU 547.A N CYS 542.A O no hydrogen 3.038 N/A ARG 548.A NE GLU 552.A OE2 no hydrogen 2.747 N/A ARG 548.A NH1 GLU 552.A OE2 no hydrogen 2.916 N/A GLN 549.A N GLN 549.A OE1 no hydrogen 2.524 N/A LYS 550.A N LYS 546.A O no hydrogen 3.340 N/A LYS 550.A NZ HIS 545.A O no hydrogen 3.308 N/A LEU 551.A N LEU 547.A O no hydrogen 2.964 N/A GLU 552.A N ARG 548.A O no hydrogen 2.955 N/A GLN 553.A N GLN 549.A O no hydrogen 3.069 N/A ILE 554.A N LYS 550.A O no hydrogen 3.238 N/A ILE 555.A N LEU 551.A O no hydrogen 2.957 N/A THR 556.A N GLU 552.A O no hydrogen 3.113 N/A THR 556.A OG1 GLU 552.A O no hydrogen 3.154 N/A LEU 557.A N GLN 553.A O no hydrogen 2.797 N/A VAL 558.A N ILE 554.A O no hydrogen 3.045 N/A SER 559.A N THR 556.A O no hydrogen 3.105 N/A SER 559.A OG ILE 555.A O no hydrogen 3.283 N/A SER 560.A N THR 556.A O no hydrogen 3.272 N/A SER 560.A OG ASN 78.A OD1 no hydrogen 2.932 N/A SER 560.A OG LEU 557.A O no hydrogen 2.790 N/A