Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4v2q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A N GLU 244.A OE1 no hydrogen 2.825 N/A HIS 2.A ND1 GLU 244.A OE1 no hydrogen 2.689 N/A HIS 2.A NE2 GLU 212.A OE2 no hydrogen 2.649 N/A VAL 3.A N SER 1.A OG no hydrogen 3.033 N/A ASP 5.A N SER 1.A O no hydrogen 3.337 N/A ILE 6.A N HIS 2.A O no hydrogen 2.969 N/A LEU 7.A N VAL 3.A O no hydrogen 3.099 N/A GLY 8.A N LYS 4.A O no hydrogen 2.856 N/A LEU 9.A N ASP 5.A O no hydrogen 2.921 N/A ILE 10.A N ILE 6.A O no hydrogen 2.854 N/A ASN 11.A N LEU 7.A O no hydrogen 2.956 N/A ALA 12.A N GLY 8.A O no hydrogen 2.977 N/A PHE 13.A N LEU 9.A O no hydrogen 3.004 N/A ASN 14.A N ILE 10.A O no hydrogen 2.980 N/A GLU 15.A N ASN 11.A O no hydrogen 2.813 N/A GLU 15.A N ALA 12.A O no hydrogen 3.266 N/A VAL 16.A N ALA 12.A O no hydrogen 2.977 N/A LYS 17.A NZ ASP 40.A OD2 no hydrogen 3.018 N/A ILE 19.A N LYS 42.A O no hydrogen 2.717 N/A VAL 21.A N ALA 44.A O no hydrogen 2.874 N/A THR 24.A N ASP 22.A OD1 no hydrogen 2.858 N/A THR 25.A N ASP 22.A OD1 no hydrogen 2.704 N/A THR 25.A OG1 ASP 22.A OD1 no hydrogen 3.335 N/A THR 25.A OG1 ASP 22.A OD2 no hydrogen 2.652 N/A ILE 27.A N ASN 304.A OD1 no hydrogen 2.846 N/A THR 28.A N HIS 31.A ND1 no hydrogen 3.111 N/A VAL 29.A N GLU 300.A OE2 no hydrogen 3.021 N/A HIS 31.A N THR 28.A OG1 no hydrogen 3.288 N/A VAL 32.A N THR 28.A O no hydrogen 3.086 N/A ALA 33.A N VAL 29.A O no hydrogen 2.825 N/A ALA 34.A N ALA 30.A O no hydrogen 2.853 N/A LEU 35.A N HIS 31.A O no hydrogen 3.029 N/A ALA 36.A N VAL 32.A O no hydrogen 3.080 N/A ARG 37.A N ALA 33.A O no hydrogen 3.049 N/A ARG 37.A NH1 ASP 203.A OD1 no hydrogen 2.762 N/A ARG 37.A NH2 ASP 203.A OD1 no hydrogen 3.466 N/A ARG 37.A NH2 ASP 203.A OD2 no hydrogen 2.921 N/A ARG 38.A N ALA 34.A O no hydrogen 2.881 N/A ARG 38.A NH1 PHE 13.A O no hydrogen 2.750 N/A ARG 38.A NH1 VAL 16.A O no hydrogen 2.839 N/A ARG 38.A NH2 VAL 16.A O no hydrogen 3.250 N/A VAL 41.A N ARG 38.A O no hydrogen 3.390 N/A LYS 42.A N LYS 17.A O no hydrogen 3.170 N/A LYS 42.A NZ ASN 122.A O no hydrogen 3.142 N/A VAL 43.A N ASN 122.A OD1 no hydrogen 2.777 N/A ALA 44.A N ILE 19.A O no hydrogen 2.797 N/A LEU 45.A N GLU 118.A OE2 no hydrogen 2.832 N/A GLU 46.A N VAL 21.A O no hydrogen 2.971 N/A GLN 49.A N GLU 46.A O no hydrogen 3.442 N/A CYS 50.A N ALA 47.A O no hydrogen 3.215 N/A CYS 50.A SG GLU 46.A O no hydrogen 3.530 N/A ARG 51.A N ALA 47.A O no hydrogen 2.952 N/A ARG 51.A NH1 GLU 55.A OE2 no hydrogen 2.969 N/A ARG 53.A NH1 THR 103.A O no hydrogen 2.747 N/A VAL 54.A N CYS 50.A O no hydrogen 3.153 N/A GLU 55.A N ARG 51.A O no hydrogen 2.746 N/A THR 56.A N ALA 52.A O no hydrogen 3.107 N/A THR 56.A OG1 ALA 52.A O no hydrogen 2.899 N/A CYS 57.A N ARG 53.A O no hydrogen 2.954 N/A CYS 57.A SG GLY 105.A O no hydrogen 3.293 N/A SER 58.A N VAL 54.A O no hydrogen 2.981 N/A SER 58.A OG VAL 54.A O no hydrogen 3.392 N/A SER 58.A OG GLU 55.A O no hydrogen 3.202 N/A SER 59.A N GLU 55.A O no hydrogen 2.985 N/A SER 59.A OG GLU 55.A O no hydrogen 3.303 N/A TRP 60.A N THR 56.A O no hydrogen 2.832 N/A TRP 60.A NE1 ASP 317.A OD1 no hydrogen 2.817 N/A VAL 61.A N CYS 57.A O no hydrogen 3.079 N/A GLN 62.A N SER 58.A O no hydrogen 3.113 N/A ARG 63.A N SER 59.A O no hydrogen 2.881 N/A ARG 63.A NE GLU 66.A OE1 no hydrogen 3.069 N/A ARG 63.A NH2 GLU 66.A OE1 no hydrogen 3.020 N/A ARG 63.A NH2 GLU 66.A OE2 no hydrogen 3.206 N/A LYS 64.A N TRP 60.A O no hydrogen 3.072 N/A LYS 64.A NZ ASP 317.A OD1 no hydrogen 2.793 N/A ALA 65.A N VAL 61.A O no hydrogen 2.903 N/A GLU 66.A N GLN 62.A O no hydrogen 2.907 N/A ASP 67.A N ARG 63.A O no hydrogen 3.043 N/A SER 72.A N GLU 68.A O no hydrogen 2.998 N/A SER 72.A OG GLU 68.A O no hydrogen 3.471 N/A SER 72.A OG LEU 69.A O no hydrogen 3.085 N/A ILE 74.A N GLN 70.A O no hydrogen 3.244 N/A ARG 75.A N GLU 71.A O no hydrogen 2.893 N/A CYS 76.A N SER 72.A O no hydrogen 3.161 N/A LEU 77.A N LEU 73.A O no hydrogen 3.243 N/A LEU 77.A N ILE 74.A O no hydrogen 3.122 N/A LEU 78.A N ILE 74.A O no hydrogen 3.056 N/A LEU 78.A N ARG 75.A O no hydrogen 3.342 N/A GLY 80.A N TYR 143.A OH no hydrogen 3.186 N/A LEU 86.A N VAL 129.A O no hydrogen 2.967 N/A THR 91.A N PRO 87.A O no hydrogen 3.015 N/A THR 91.A OG1 PRO 87.A O no hydrogen 3.206 N/A ARG 92.A N ALA 88.A O no hydrogen 2.789 N/A ARG 92.A NH1 LEU 35.A O no hydrogen 2.893 N/A ARG 92.A NH2 LEU 121.A O no hydrogen 2.945 N/A SER 93.A N THR 89.A O no hydrogen 3.099 N/A SER 93.A OG THR 89.A O no hydrogen 2.819 N/A ALA 94.A N ALA 90.A O no hydrogen 2.888 N/A MET 95.A N THR 91.A O no hydrogen 3.005 N/A LEU 96.A N ARG 92.A O no hydrogen 2.983 N/A LEU 97.A N SER 93.A O no hydrogen 2.976 N/A ARG 98.A N ALA 94.A O no hydrogen 2.903 N/A ARG 98.A NE ALA 185.A O no hydrogen 2.894 N/A ARG 98.A NE LEU 186.A O no hydrogen 3.301 N/A ARG 98.A NH1 ASN 307.A O no hydrogen 2.838 N/A ARG 98.A NH2 ALA 185.A O no hydrogen 2.687 N/A ARG 98.A NH2 ASN 307.A O no hydrogen 2.963 N/A LEU 99.A N MET 95.A O no hydrogen 3.059 N/A ASN 100.A N LEU 96.A O no hydrogen 2.874 N/A ASN 100.A ND2 VAL 303.A O no hydrogen 3.001 N/A ASN 100.A ND2 ASN 304.A OD1 no hydrogen 3.606 N/A SER 101.A N LEU 97.A O no hydrogen 3.012 N/A SER 101.A OG LEU 97.A O no hydrogen 3.545 N/A SER 101.A OG SER 305.A O no hydrogen 2.711 N/A PHE 102.A N ARG 98.A O no hydrogen 3.272 N/A THR 103.A N ASN 100.A O no hydrogen 3.059 N/A THR 103.A OG1 ASN 100.A O no hydrogen 2.652 N/A TYR 104.A N SER 101.A O no hydrogen 3.411 N/A GLY 105.A N PHE 102.A O no hydrogen 3.168 N/A CYS 106.A SG TYR 104.A O no hydrogen 3.906 N/A SER 107.A OG ASP 308.A OD2 no hydrogen 2.778 N/A ARG 110.A N GLU 182.A OE2 no hydrogen 2.800 N/A ARG 110.A NE GLU 182.A OE1 no hydrogen 3.135 N/A ARG 110.A NE GLU 182.A OE2 no hydrogen 2.908 N/A ARG 110.A NH2 GLU 182.A OE1 no hydrogen 2.816 N/A VAL 113.A N ARG 110.A O no hydrogen 2.995 N/A MET 114.A N ARG 110.A O no hydrogen 3.330 N/A GLU 115.A N TRP 111.A O no hydrogen 2.843 N/A ALA 116.A N GLU 112.A O no hydrogen 3.062 N/A LEU 117.A N VAL 113.A O no hydrogen 3.105 N/A GLU 118.A N MET 114.A O no hydrogen 3.133 N/A LYS 119.A N GLU 115.A O no hydrogen 2.921 N/A LEU 120.A N ALA 116.A O no hydrogen 2.851 N/A LEU 121.A N LEU 117.A O no hydrogen 2.986 N/A ASN 122.A N GLU 118.A O no hydrogen 3.011 N/A ASN 122.A ND2 VAL 43.A O no hydrogen 3.046 N/A SER 123.A N LYS 119.A O no hydrogen 3.050 N/A SER 123.A OG LYS 119.A O no hydrogen 2.993 N/A ASN 124.A N LEU 121.A O no hydrogen 3.336 N/A VAL 125.A N LEU 120.A O no hydrogen 2.963 N/A SER 126.A N ARG 157.A O no hydrogen 3.163 N/A LYS 128.A N ILE 155.A O no hydrogen 2.791 N/A LYS 128.A NZ GLU 85.A OE2 no hydrogen 2.896 N/A SER 134.A OG SER 136.A OG no hydrogen 3.400 N/A SER 134.A OG ASP 137.A OD1 no hydrogen 2.681 N/A SER 136.A N SER 134.A OG no hydrogen 2.816 N/A SER 136.A OG SER 134.A OG no hydrogen 3.400 N/A SER 136.A OG ASP 137.A OD1 no hydrogen 2.709 N/A LEU 141.A N ASP 137.A O no hydrogen 2.916 N/A ALA 142.A N LEU 138.A O no hydrogen 2.908 N/A TYR 143.A N PRO 140.A O no hydrogen 3.183 N/A ALA 145.A N LEU 141.A O no hydrogen 3.043 N/A GLY 146.A N ALA 142.A O no hydrogen 2.708 N/A LEU 147.A N TYR 143.A O no hydrogen 3.085 N/A LEU 148.A N ILE 144.A O no hydrogen 3.068 N/A ILE 149.A N ALA 145.A O no hydrogen 2.983 N/A GLY 150.A N LEU 147.A O no hydrogen 3.084 N/A LYS 151.A N GLY 146.A O no hydrogen 2.840 N/A VAL 154.A N LYS 151.A O no hydrogen 3.110 N/A ALA 156.A N VAL 162.A O no hydrogen 2.775 N/A ARG 157.A N SER 126.A O no hydrogen 2.837 N/A ARG 157.A NH1 GLU 85.A OE1 no hydrogen 2.818 N/A ARG 157.A NH2 GLU 85.A OE1 no hydrogen 3.278 N/A ILE 158.A N VAL 160.A O no hydrogen 2.943 N/A GLY 159.A N ASN 124.A O no hydrogen 3.106 N/A VAL 162.A N ALA 156.A O no hydrogen 3.025 N/A ALA 164.A N VAL 154.A O no hydrogen 2.820 N/A ALA 167.A N PRO 163.A O no hydrogen 3.112 N/A LEU 168.A N ALA 164.A O no hydrogen 2.984 N/A SER 169.A N PRO 165.A O no hydrogen 3.102 N/A SER 169.A OG PRO 165.A O no hydrogen 3.277 N/A ARG 170.A N GLU 166.A O no hydrogen 3.359 N/A VAL 171.A N LEU 168.A O no hydrogen 3.146 N/A GLY 172.A N SER 169.A O no hydrogen 2.974 N/A LEU 173.A N LEU 168.A O no hydrogen 2.900 N/A PHE 176.A N LEU 148.A O no hydrogen 2.983 N/A GLN 179.A N GLU 182.A OE1 no hydrogen 2.873 N/A GLN 179.A NE2 GLN 62.A OE1 no hydrogen 3.563 N/A LYS 181.A NZ SER 107.A O no hydrogen 2.916 N/A LYS 181.A NZ PRO 310.A O no hydrogen 3.019 N/A GLU 182.A N GLN 179.A O no hydrogen 3.028 N/A LEU 184.A N GLN 70.A OE1 no hydrogen 3.244 N/A ALA 185.A N LYS 181.A O no hydrogen 2.872 N/A LEU 186.A N GLU 182.A O no hydrogen 3.027 N/A VAL 187.A N GLY 183.A O no hydrogen 3.343 N/A THR 190.A N ASN 307.A OD1 no hydrogen 3.025 N/A THR 190.A OG1 THR 194.A OG1 no hydrogen 3.392 N/A THR 190.A OG1 GLU 302.A OE2 no hydrogen 2.600 N/A ALA 193.A N ASP 137.A OD2 no hydrogen 2.822 N/A THR 194.A N THR 190.A O no hydrogen 2.975 N/A THR 194.A OG1 THR 190.A O no hydrogen 2.766 N/A THR 194.A OG1 THR 190.A OG1 no hydrogen 3.392 N/A ALA 195.A N SER 191.A O no hydrogen 2.994 N/A VAL 196.A N PHE 192.A O no hydrogen 3.087 N/A ALA 197.A N ALA 193.A O no hydrogen 2.856 N/A SER 198.A N THR 194.A O no hydrogen 2.827 N/A SER 198.A OG THR 194.A O no hydrogen 2.717 N/A THR 199.A N ALA 195.A O no hydrogen 3.363 N/A THR 199.A OG1 ALA 195.A O no hydrogen 3.454 N/A THR 199.A OG1 VAL 196.A O no hydrogen 3.280 N/A VAL 200.A N VAL 196.A O no hydrogen 2.939 N/A MET 201.A N ALA 197.A O no hydrogen 2.839 N/A TYR 202.A N SER 198.A O no hydrogen 2.915 N/A ASP 203.A N THR 199.A O no hydrogen 2.961 N/A ALA 204.A N VAL 200.A O no hydrogen 2.776 N/A ASN 205.A N MET 201.A O no hydrogen 3.036 N/A ASN 205.A ND2 MET 201.A O no hydrogen 2.836 N/A ASN 205.A ND2 THR 296.A OG1 no hydrogen 2.900 N/A VAL 206.A N TYR 202.A O no hydrogen 3.177 N/A LEU 207.A N ASP 203.A O no hydrogen 2.824 N/A LEU 208.A N ALA 204.A O no hydrogen 2.850 N/A LEU 209.A N ASN 205.A O no hydrogen 3.150 N/A LEU 210.A N VAL 206.A O no hydrogen 2.944 N/A VAL 211.A N LEU 207.A O no hydrogen 2.975 N/A GLU 212.A N LEU 208.A O no hydrogen 2.952 N/A THR 213.A N LEU 209.A O no hydrogen 3.007 N/A THR 213.A OG1 LEU 209.A O no hydrogen 2.768 N/A LEU 214.A N LEU 210.A O no hydrogen 2.919 N/A CYS 215.A N VAL 211.A O no hydrogen 3.016 N/A CYS 215.A N GLU 212.A O no hydrogen 3.175 N/A CYS 215.A SG VAL 211.A O no hydrogen 3.464 N/A GLY 216.A N THR 213.A O no hydrogen 3.039 N/A PHE 218.A N LEU 214.A O no hydrogen 2.864 N/A CYS 219.A N CYS 215.A O no hydrogen 3.054 N/A CYS 219.A SG GLN 259.A OE1 no hydrogen 3.515 N/A GLU 220.A N GLY 216.A O no hydrogen 3.124 N/A VAL 221.A N MET 217.A O no hydrogen 3.134 N/A ILE 222.A N PHE 218.A O no hydrogen 2.946 N/A GLY 224.A N CYS 219.A O no hydrogen 2.979 N/A ARG 225.A N ASP 274.A OD2 no hydrogen 2.601 N/A ARG 225.A NE ASP 274.A OD1 no hydrogen 2.988 N/A ARG 225.A NH1 PRO 271.A O no hydrogen 3.216 N/A ARG 225.A NH2 PRO 271.A O no hydrogen 3.062 N/A ARG 225.A NH2 ASP 274.A OD1 no hydrogen 3.101 N/A GLU 226.A N GLU 226.A OE1 no hydrogen 2.751 N/A ALA 229.A N GLU 226.A O no hydrogen 3.072 N/A HIS 230.A N GLU 227.A O no hydrogen 2.990 N/A LEU 232.A N HIS 230.A ND1 no hydrogen 3.021 N/A ILE 233.A N HIS 230.A O no hydrogen 3.142 N/A HIS 234.A N PRO 231.A O no hydrogen 3.257 N/A HIS 234.A NE2 PHE 228.A O no hydrogen 2.902 N/A LYS 235.A N PRO 231.A O no hydrogen 2.836 N/A VAL 236.A N LEU 232.A O no hydrogen 3.260 N/A LYS 237.A N HIS 234.A O no hydrogen 3.179 N/A HIS 239.A N LYS 237.A O no hydrogen 2.905 N/A GLY 241.A N GLN 290.A OE1 no hydrogen 2.828 N/A GLN 242.A NE2 HIS 234.A ND1 no hydrogen 3.036 N/A ILE 243.A N HIS 239.A O no hydrogen 2.953 N/A GLU 244.A N PRO 240.A O no hydrogen 2.932 N/A SER 245.A N GLY 241.A O no hydrogen 3.034 N/A SER 245.A OG GLY 241.A O no hydrogen 2.952 N/A SER 245.A OG GLN 242.A O no hydrogen 3.383 N/A ALA 246.A N GLN 242.A O no hydrogen 3.209 N/A GLU 247.A N ILE 243.A O no hydrogen 3.009 N/A LEU 248.A N GLU 244.A O no hydrogen 3.183 N/A LEU 249.A N SER 245.A O no hydrogen 3.054 N/A GLU 250.A N ALA 246.A O no hydrogen 2.825 N/A TRP 251.A N GLU 247.A O no hydrogen 3.248 N/A LEU 252.A N LEU 248.A O no hydrogen 2.875 N/A LEU 253.A N LEU 249.A O no hydrogen 2.949 N/A ARG 254.A NE GLU 250.A OE2 no hydrogen 3.012 N/A ARG 254.A NH2 GLU 250.A OE1 no hydrogen 2.890 N/A SER 256.A N LEU 253.A O no hydrogen 3.166 N/A SER 256.A OG GLU 220.A OE2 no hydrogen 2.551 N/A GLN 259.A N SER 256.A OG no hydrogen 3.069 N/A GLN 259.A NE2 GLY 224.A O no hydrogen 2.754 N/A GLN 259.A NE2 GLU 226.A OE1 no hydrogen 2.723 N/A GLU 260.A N SER 256.A O no hydrogen 3.365 N/A LEU 261.A N PRO 257.A O no hydrogen 3.305 N/A SER 262.A N PHE 258.A O no hydrogen 2.799 N/A SER 262.A OG GLY 224.A O no hydrogen 2.861 N/A ARG 263.A N GLN 259.A O no hydrogen 2.987 N/A GLU 264.A N GLU 260.A O no hydrogen 3.151 N/A TYR 265.A N LEU 261.A O no hydrogen 2.954 N/A TYR 266.A N SER 262.A O no hydrogen 3.156 N/A TYR 266.A OH PHE 223.A O no hydrogen 2.592 N/A SER 267.A N GLU 264.A O no hydrogen 3.090 N/A SER 267.A OG GLU 264.A O no hydrogen 2.508 N/A ILE 268.A N TYR 265.A O no hydrogen 3.420 N/A LYS 270.A NZ TYR 265.A O no hydrogen 2.722 N/A LYS 270.A NZ ILE 268.A O no hydrogen 2.758 N/A LEU 278.A N ARG 275.A O no hydrogen 3.368 N/A ARG 279.A N ARG 275.A O no hydrogen 3.124 N/A ARG 279.A NE ASP 274.A O no hydrogen 2.771 N/A ARG 279.A NH2 ASP 274.A O no hydrogen 3.189 N/A SER 280.A N TYR 276.A O no hydrogen 2.783 N/A SER 281.A N LEU 278.A O no hydrogen 3.002 N/A SER 281.A OG LEU 278.A O no hydrogen 2.834 N/A GLN 283.A N GLN 283.A OE1 no hydrogen 2.846 N/A TRP 284.A N SER 280.A O no hydrogen 2.940 N/A TRP 284.A NE1 GLY 343.A O no hydrogen 2.869 N/A LEU 285.A N SER 281.A O no hydrogen 2.795 N/A ALA 286.A N PRO 282.A O no hydrogen 2.939 N/A VAL 289.A N LEU 285.A O no hydrogen 2.828 N/A GLN 290.A N ALA 286.A O no hydrogen 3.156 N/A THR 291.A N PRO 287.A O no hydrogen 2.848 N/A THR 291.A OG1 PRO 287.A O no hydrogen 2.716 N/A ILE 292.A N LEU 288.A O no hydrogen 3.098 N/A ARG 293.A N VAL 289.A O no hydrogen 2.952 N/A ARG 293.A NH1 ASN 205.A OD1 no hydrogen 2.757 N/A ASP 294.A N GLN 290.A O no hydrogen 2.982 N/A ALA 295.A N THR 291.A O no hydrogen 2.912 N/A THR 296.A N ILE 292.A O no hydrogen 3.137 N/A THR 296.A N ARG 293.A O no hydrogen 3.187 N/A THR 296.A OG1 ILE 292.A O no hydrogen 2.751 N/A THR 297.A N ARG 293.A O no hydrogen 3.292 N/A THR 297.A OG1 ARG 293.A O no hydrogen 3.553 N/A THR 298.A N ASP 294.A O no hydrogen 3.175 N/A THR 298.A OG1 ASP 294.A O no hydrogen 3.429 N/A VAL 299.A N ALA 295.A O no hydrogen 2.950 N/A GLU 300.A N THR 296.A O no hydrogen 3.041 N/A THR 301.A N THR 297.A O no hydrogen 2.941 N/A THR 301.A OG1 THR 297.A O no hydrogen 3.034 N/A GLU 302.A N THR 298.A O no hydrogen 3.103 N/A VAL 303.A N VAL 299.A O no hydrogen 2.909 N/A ASN 304.A N GLU 300.A O no hydrogen 3.035 N/A ASN 304.A ND2 ILE 27.A O no hydrogen 2.922 N/A ASN 304.A ND2 GLU 300.A O no hydrogen 2.763 N/A SER 305.A OG GLU 302.A O no hydrogen 2.695 N/A ASN 307.A ND2 SER 305.A OG no hydrogen 2.883 N/A ASN 309.A N ASP 308.A OD1 no hydrogen 2.736 N/A ILE 311.A N LEU 320.A O no hydrogen 2.941 N/A ILE 312.A N CYS 106.A O no hydrogen 2.962 N/A ASP 313.A N ARG 318.A O no hydrogen 2.861 N/A ASN 316.A N ASP 313.A O no hydrogen 3.038 N/A ASN 316.A ND2 ASP 313.A OD1 no hydrogen 3.472 N/A ASN 316.A ND2 ASP 313.A OD2 no hydrogen 2.814 N/A ASP 317.A N HIS 314.A O no hydrogen 3.047 N/A ARG 318.A N ASP 313.A O no hydrogen 3.212 N/A LEU 320.A N ILE 311.A O no hydrogen 2.799 N/A GLY 322.A N ASN 309.A OD1 no hydrogen 2.712 N/A ASN 324.A ND2 ALA 306.A O no hydrogen 3.275 N/A GLN 326.A N ALA 323.A O no hydrogen 2.918 N/A GLN 326.A NE2 ILE 415.A O no hydrogen 3.266 N/A GLY 327.A N SER 136.A O no hydrogen 3.144 N/A GLY 331.A N GLY 327.A O no hydrogen 2.929 N/A PHE 332.A N SER 328.A O no hydrogen 3.024 N/A TYR 333.A N ALA 329.A O no hydrogen 3.257 N/A MET 334.A N VAL 330.A O no hydrogen 2.840 N/A ASP 335.A N GLY 331.A O no hydrogen 3.143 N/A TYR 336.A N PHE 332.A O no hydrogen 3.128 N/A VAL 337.A N TYR 333.A O no hydrogen 2.953 N/A ARG 338.A N MET 334.A O no hydrogen 3.020 N/A ARG 338.A NE LEU 397.A O no hydrogen 2.771 N/A ARG 338.A NH1 SER 422.A OG no hydrogen 2.973 N/A ARG 338.A NH1 THR 426.A OG1 no hydrogen 2.924 N/A ARG 338.A NH2 ASP 335.A OD1 no hydrogen 2.791 N/A ARG 338.A NH2 ASN 399.A O no hydrogen 2.947 N/A ILE 339.A N ASP 335.A O no hydrogen 3.241 N/A ALA 340.A N TYR 336.A O no hydrogen 2.978 N/A VAL 341.A N VAL 337.A O no hydrogen 2.785 N/A ALA 342.A N ARG 338.A O no hydrogen 3.029 N/A GLY 343.A N ILE 339.A O no hydrogen 2.998 N/A LEU 344.A N ALA 340.A O no hydrogen 2.889 N/A GLY 345.A N VAL 341.A O no hydrogen 2.892 N/A LYS 346.A N ALA 342.A O no hydrogen 2.931 N/A LEU 347.A N GLY 343.A O no hydrogen 3.210 N/A LEU 348.A N LEU 344.A O no hydrogen 3.091 N/A PHE 349.A N GLY 345.A O no hydrogen 2.815 N/A ALA 350.A N LYS 346.A O no hydrogen 2.954 N/A GLN 351.A N LEU 347.A O no hydrogen 3.057 N/A GLN 351.A NE2 ALA 277.A O no hydrogen 3.010 N/A PHE 352.A N LEU 348.A O no hydrogen 2.926 N/A THR 353.A N PHE 349.A O no hydrogen 2.945 N/A THR 353.A OG1 PHE 349.A O no hydrogen 2.778 N/A GLU 354.A N ALA 350.A O no hydrogen 3.100 N/A LEU 355.A N GLN 351.A O no hydrogen 3.110 N/A MET 356.A N PHE 352.A O no hydrogen 3.150 N/A MET 356.A N THR 353.A O no hydrogen 3.189 N/A ILE 357.A N GLU 354.A O no hydrogen 3.284 N/A GLU 358.A N GLU 358.A OE1 no hydrogen 2.654 N/A TYR 360.A N ILE 357.A O no hydrogen 2.849 N/A SER 361.A OG ILE 357.A O no hydrogen 3.247 N/A SER 361.A OG LEU 364.A O no hydrogen 3.176 N/A ASN 362.A ND2 ILE 222.A O no hydrogen 2.732 N/A ASN 367.A N MET 356.A O no hydrogen 2.838 N/A LEU 368.A N PRO 365.A O no hydrogen 2.971 N/A SER 369.A N GLY 366.A O no hydrogen 3.106 N/A SER 369.A OG GLY 366.A O no hydrogen 3.313 N/A SER 369.A OG ASP 377.A O no hydrogen 3.183 N/A GLY 371.A N ASP 377.A OD2 no hydrogen 2.923 N/A LEU 374.A N GLU 496.A OE2 no hydrogen 3.043 N/A SER 375.A N ASP 373.A OD1 no hydrogen 3.148 N/A SER 375.A OG ASP 373.A OD1 no hydrogen 2.706 N/A SER 375.A OG ASP 373.A OD2 no hydrogen 3.474 N/A ASP 377.A N LEU 374.A O no hydrogen 3.302 N/A GLY 379.A N ASP 377.A OD1 no hydrogen 2.916 N/A LEU 380.A N ASN 367.A O no hydrogen 2.789 N/A LYS 381.A N TYR 378.A O no hydrogen 3.252 N/A LYS 381.A NZ ASN 367.A OD1 no hydrogen 3.255 N/A ASP 384.A N LEU 380.A O no hydrogen 2.904 N/A ILE 385.A N LYS 381.A O no hydrogen 2.894 N/A ALA 386.A N GLY 382.A O no hydrogen 3.031 N/A MET 387.A N LEU 383.A O no hydrogen 2.988 N/A ALA 388.A N ASP 384.A O no hydrogen 3.459 N/A ALA 388.A N ILE 385.A O no hydrogen 3.182 N/A ALA 389.A N ILE 385.A O no hydrogen 3.221 N/A TYR 390.A N ALA 386.A O no hydrogen 2.751 N/A SER 391.A N MET 387.A O no hydrogen 2.991 N/A SER 392.A N ALA 388.A O no hydrogen 2.980 N/A SER 392.A OG ALA 388.A O no hydrogen 2.814 N/A GLU 393.A N ALA 389.A O no hydrogen 3.260 N/A LEU 394.A N TYR 390.A O no hydrogen 3.002 N/A GLN 395.A N SER 391.A O no hydrogen 2.871 N/A GLN 395.A NE2 ALA 342.A O no hydrogen 3.112 N/A GLN 395.A NE2 SER 391.A O no hydrogen 3.552 N/A GLN 395.A NE2 SER 391.A OG no hydrogen 3.372 N/A TYR 396.A N SER 392.A O no hydrogen 3.271 N/A LEU 397.A N GLU 393.A O no hydrogen 2.932 N/A ALA 398.A N LEU 394.A O no hydrogen 3.273 N/A ALA 398.A N GLN 395.A O no hydrogen 3.248 N/A ASN 399.A N TYR 396.A O no hydrogen 3.369 N/A VAL 401.A N ASP 335.A OD1 no hydrogen 3.043 N/A THR 402.A N ASP 335.A OD2 no hydrogen 3.013 N/A THR 402.A OG1 ASP 335.A OD2 no hydrogen 2.829 N/A THR 403.A OG1 PRO 400.A O no hydrogen 3.437 N/A HIS 404.A N VAL 401.A O no hydrogen 2.902 N/A HIS 406.A ND1 HIS 404.A O no hydrogen 2.861 N/A SER 407.A OG HIS 411.A ND1 no hydrogen 2.822 N/A ALA 408.A N GLN 413.A O no hydrogen 3.115 N/A HIS 411.A ND1 SER 407.A OG no hydrogen 2.822 N/A ASN 412.A N GLU 409.A O no hydrogen 3.001 N/A ASN 412.A ND2 GLU 409.A OE1 no hydrogen 3.145 N/A GLN 413.A N ALA 408.A O no hydrogen 2.902 N/A GLN 413.A NE2 GLU 409.A OE1 no hydrogen 2.782 N/A ASN 416.A ND2 HIS 406.A O no hydrogen 2.924 N/A ASN 416.A ND2 GLN 413.A O no hydrogen 3.112 N/A SER 417.A OG SER 136.A O no hydrogen 2.673 N/A LEU 418.A N VAL 135.A O no hydrogen 2.830 N/A ALA 419.A N SER 417.A OG no hydrogen 3.172 N/A LEU 420.A N SER 136.A OG no hydrogen 2.933 N/A SER 422.A N LEU 418.A O no hydrogen 2.988 N/A SER 422.A OG GLY 331.A O no hydrogen 3.554 N/A SER 422.A OG ASP 335.A OD1 no hydrogen 2.641 N/A ALA 423.A N ALA 419.A O no hydrogen 2.830 N/A ARG 424.A N LEU 420.A O no hydrogen 2.924 N/A LYS 425.A N ILE 421.A O no hydrogen 3.132 N/A THR 426.A N SER 422.A O no hydrogen 2.989 N/A THR 426.A OG1 MET 334.A O no hydrogen 2.821 N/A THR 426.A OG1 SER 422.A O no hydrogen 3.242 N/A GLU 427.A N ALA 423.A O no hydrogen 2.823 N/A GLU 428.A N ARG 424.A O no hydrogen 2.989 N/A ALA 429.A N LYS 425.A O no hydrogen 2.860 N/A LEU 430.A N THR 426.A O no hydrogen 2.920 N/A ASP 431.A N GLU 427.A O no hydrogen 2.959 N/A ILE 432.A N GLU 428.A O no hydrogen 3.202 N/A LEU 433.A N ALA 429.A O no hydrogen 2.839 N/A LYS 434.A N LEU 430.A O no hydrogen 2.942 N/A LYS 434.A NZ ASP 203.A OD2 no hydrogen 3.257 N/A LEU 435.A N ASP 431.A O no hydrogen 3.272 N/A MET 436.A N ILE 432.A O no hydrogen 3.017 N/A ILE 437.A N LEU 433.A O no hydrogen 2.915 N/A ALA 438.A N LYS 434.A O no hydrogen 2.987 N/A SER 439.A N LEU 435.A O no hydrogen 3.127 N/A SER 439.A OG LEU 435.A O no hydrogen 3.000 N/A HIS 440.A N MET 436.A O no hydrogen 2.879 N/A HIS 440.A NE2 GLN 351.A OE1 no hydrogen 2.849 N/A LEU 441.A N ILE 437.A O no hydrogen 2.851 N/A THR 442.A N ALA 438.A O no hydrogen 3.045 N/A THR 442.A OG1 ALA 438.A O no hydrogen 2.739 N/A ALA 443.A N SER 439.A O no hydrogen 2.903 N/A MET 444.A N HIS 440.A O no hydrogen 2.919 N/A CYS 445.A N LEU 441.A O no hydrogen 3.034 N/A CYS 445.A SG LEU 441.A O no hydrogen 3.543 N/A GLN 446.A N THR 442.A O no hydrogen 3.102 N/A GLN 446.A NE2 LEU 368.A O no hydrogen 2.956 N/A GLN 446.A NE2 MET 577.A O no hydrogen 3.127 N/A ALA 447.A N ALA 443.A O no hydrogen 2.840 N/A VAL 448.A N MET 444.A O no hydrogen 2.808 N/A ASP 449.A N CYS 445.A O no hydrogen 3.110 N/A LEU 450.A N GLN 446.A O no hydrogen 2.919 N/A ARG 451.A N ALA 447.A O no hydrogen 2.909 N/A ARG 451.A NE VAL 221.A O no hydrogen 2.800 N/A ARG 451.A NH1 ASN 362.A O no hydrogen 2.980 N/A ARG 451.A NH1 GLU 454.A OE1 no hydrogen 3.162 N/A ARG 451.A NH2 VAL 221.A O no hydrogen 3.082 N/A ARG 451.A NH2 ASN 362.A O no hydrogen 3.158 N/A GLN 452.A N VAL 448.A O no hydrogen 2.993 N/A GLN 452.A NE2 TYR 552.A OH no hydrogen 2.849 N/A LEU 453.A N ASP 449.A O no hydrogen 2.819 N/A GLU 454.A N LEU 450.A O no hydrogen 2.867 N/A GLU 455.A N ARG 451.A O no hydrogen 3.127 N/A ALA 456.A N GLN 452.A O no hydrogen 3.293 N/A LEU 457.A N LEU 453.A O no hydrogen 2.870 N/A VAL 458.A N GLU 454.A O no hydrogen 2.943 N/A LYS 459.A N GLU 455.A O no hydrogen 3.267 N/A VAL 460.A N ALA 456.A O no hydrogen 3.124 N/A VAL 461.A N LEU 457.A O no hydrogen 2.934 N/A GLU 462.A N VAL 458.A O no hydrogen 2.961 N/A ASN 463.A N LYS 459.A O no hydrogen 2.849 N/A VAL 464.A N VAL 460.A O no hydrogen 2.740 N/A VAL 465.A N VAL 461.A O no hydrogen 2.819 N/A SER 466.A N GLU 462.A O no hydrogen 2.960 N/A THR 467.A N ASN 463.A O no hydrogen 3.064 N/A THR 467.A OG1 ASN 463.A O no hydrogen 3.116 N/A THR 467.A OG1 VAL 464.A O no hydrogen 3.285 N/A LEU 468.A N VAL 464.A O no hydrogen 2.987 N/A ALA 469.A N VAL 465.A O no hydrogen 2.907 N/A ASP 470.A N SER 466.A O no hydrogen 3.230 N/A GLU 471.A N THR 467.A O no hydrogen 2.901 N/A CYS 472.A N LEU 468.A O no hydrogen 2.921 N/A CYS 472.A SG LEU 468.A O no hydrogen 3.395 N/A GLY 473.A N ASP 470.A O no hydrogen 3.013 N/A LEU 474.A N ALA 469.A O no hydrogen 2.938 N/A THR 478.A OG1 THR 516.A OG1 no hydrogen 2.605 N/A LYS 479.A N PRO 475.A O no hydrogen 2.930 N/A LYS 479.A NZ ASP 470.A OD1 no hydrogen 2.893 N/A LYS 479.A NZ ASP 470.A OD2 no hydrogen 3.465 N/A ALA 480.A N ASN 476.A O no hydrogen 2.913 N/A ARG 481.A N ASP 477.A O no hydrogen 3.169 N/A ARG 481.A NE ASP 477.A OD1 no hydrogen 3.387 N/A ARG 481.A NE ASP 477.A OD2 no hydrogen 2.961 N/A ARG 481.A NH2 ASP 477.A OD1 no hydrogen 2.982 N/A LEU 482.A N THR 478.A O no hydrogen 2.949 N/A LEU 483.A N LYS 479.A O no hydrogen 2.980 N/A TYR 484.A N ALA 480.A O no hydrogen 3.066 N/A VAL 485.A N ARG 481.A O no hydrogen 3.272 N/A ALA 486.A N LEU 482.A O no hydrogen 3.091 N/A LYS 487.A N LEU 483.A O no hydrogen 3.193 N/A LYS 487.A N TYR 484.A O no hydrogen 3.267 N/A ALA 488.A N TYR 484.A O no hydrogen 2.886 N/A VAL 489.A N VAL 485.A O no hydrogen 3.039 N/A TYR 492.A OH LEU 450.A O no hydrogen 2.680 N/A THR 493.A N PRO 490.A O no hydrogen 3.051 N/A THR 493.A OG1 PRO 490.A O no hydrogen 2.708 N/A TYR 494.A N VAL 491.A O no hydrogen 3.172 N/A LEU 495.A N VAL 491.A O no hydrogen 3.010 N/A SER 497.A N TYR 494.A O no hydrogen 3.115 N/A CYS 499.A SG LEU 537.A O no hydrogen 3.379 N/A ASP 500.A N SER 497.A O no hydrogen 2.963 N/A THR 502.A N ASP 500.A OD1 no hydrogen 2.823 N/A THR 502.A OG1 ASP 500.A OD1 no hydrogen 2.664 N/A LEU 503.A N ASP 500.A O no hydrogen 3.180 N/A LEU 507.A N LEU 503.A O no hydrogen 3.220 N/A GLY 508.A N PRO 504.A O no hydrogen 3.083 N/A LEU 509.A N LEU 505.A O no hydrogen 2.941 N/A LYS 510.A N LEU 506.A O no hydrogen 2.836 N/A GLN 511.A N LEU 507.A O no hydrogen 3.147 N/A SER 512.A N GLY 508.A O no hydrogen 3.084 N/A SER 512.A OG GLY 508.A O no hydrogen 3.052 N/A CYS 513.A N LEU 509.A O no hydrogen 2.898 N/A CYS 513.A SG LEU 509.A O no hydrogen 3.284 N/A PHE 514.A N LYS 510.A O no hydrogen 3.095 N/A ASP 515.A N GLN 511.A O no hydrogen 3.063 N/A THR 516.A N SER 512.A O no hydrogen 2.833 N/A THR 516.A OG1 ASP 477.A OD2 no hydrogen 2.628 N/A THR 516.A OG1 THR 478.A OG1 no hydrogen 2.605 N/A ILE 517.A N CYS 513.A O no hydrogen 3.146 N/A LEU 518.A N PHE 514.A O no hydrogen 2.982 N/A ALA 519.A N ASP 515.A O no hydrogen 2.951 N/A LEU 520.A N THR 516.A O no hydrogen 2.986 N/A HIS 521.A N ILE 517.A O no hydrogen 2.994 N/A THR 525.A OG1 GLU 522.A O no hydrogen 2.756 N/A LEU 526.A N GLU 522.A O no hydrogen 3.161 N/A VAL 527.A N THR 523.A O no hydrogen 2.979 N/A ASP 528.A N ASP 524.A O no hydrogen 3.064 N/A ARG 529.A N THR 525.A O no hydrogen 2.915 N/A ARG 529.A NH1 GLY 473.A O no hydrogen 2.975 N/A LEU 530.A N LEU 526.A O no hydrogen 2.945 N/A ALA 531.A N VAL 527.A O no hydrogen 2.899 N/A GLU 532.A N ASP 528.A O no hydrogen 3.074 N/A PHE 533.A N ARG 529.A O no hydrogen 2.890 N/A GLU 534.A N LEU 530.A O no hydrogen 3.054 N/A LYS 535.A N ALA 531.A O no hydrogen 2.978 N/A ARG 536.A N GLU 532.A O no hydrogen 2.907 N/A ARG 536.A NE GLU 532.A OE2 no hydrogen 2.783 N/A ARG 536.A NH1 GLU 471.A OE1 no hydrogen 2.734 N/A ARG 536.A NH2 GLU 532.A OE2 no hydrogen 3.555 N/A LEU 537.A N PHE 533.A O no hydrogen 2.953 N/A SER 538.A N GLU 534.A O no hydrogen 3.304 N/A SER 538.A OG LYS 535.A O no hydrogen 3.213 N/A ASP 539.A N LYS 535.A O no hydrogen 3.286 N/A ASP 539.A N ARG 536.A O no hydrogen 3.092 N/A ARG 540.A N ARG 536.A O no hydrogen 2.990 N/A ARG 540.A N LEU 537.A O no hydrogen 3.355 N/A ARG 540.A NE GLU 544.A OE2 no hydrogen 2.729 N/A LEU 541.A N LEU 537.A O no hydrogen 2.919 N/A GLU 544.A N ARG 540.A O no hydrogen 3.241 N/A MET 545.A N LEU 541.A O no hydrogen 3.031 N/A THR 546.A N GLU 542.A O no hydrogen 2.874 N/A THR 546.A OG1 GLU 542.A O no hydrogen 3.031 N/A ALA 547.A N ASN 543.A O no hydrogen 3.109 N/A VAL 548.A N GLU 544.A O no hydrogen 3.297 N/A ARG 549.A N MET 545.A O no hydrogen 3.087 N/A ARG 549.A NH1 GLU 553.A OE2 no hydrogen 3.117 N/A VAL 550.A N THR 546.A O no hydrogen 2.808 N/A LEU 551.A N ALA 547.A O no hydrogen 3.007 N/A TYR 552.A N VAL 548.A O no hydrogen 3.057 N/A TYR 552.A OH ASP 449.A OD1 no hydrogen 2.682 N/A GLU 553.A N ARG 549.A O no hydrogen 2.961 N/A ARG 555.A NE PRO 257.A O no hydrogen 3.119 N/A ARG 555.A NH1 GLU 455.A OE1 no hydrogen 3.240 N/A ARG 555.A NH2 PRO 257.A O no hydrogen 3.128 N/A ILE 556.A N GLN 452.A OE1 no hydrogen 2.781 N/A GLN 557.A N VAL 554.A O no hydrogen 2.987 N/A GLY 558.A N ARG 555.A O no hydrogen 3.322 N/A SER 559.A N ILE 556.A O no hydrogen 3.007 N/A SER 559.A OG GLU 220.A OE1 no hydrogen 2.687 N/A SER 559.A OG GLU 220.A OE2 no hydrogen 3.526 N/A PHE 561.A N SER 559.A OG no hydrogen 2.983 N/A LEU 562.A N SER 559.A O no hydrogen 3.125 N/A TYR 565.A N PHE 561.A O no hydrogen 3.099 N/A TYR 565.A OH ASP 449.A OD1 no hydrogen 2.567 N/A ARG 566.A N LEU 562.A O no hydrogen 2.807 N/A PHE 567.A N PRO 563.A O no hydrogen 2.947 N/A VAL 568.A N PHE 564.A O no hydrogen 3.081 N/A ARG 569.A N TYR 565.A O no hydrogen 2.911 N/A ARG 569.A NE ASP 449.A OD2 no hydrogen 2.758 N/A ARG 569.A NH1 THR 574.A OG1 no hydrogen 2.994 N/A ARG 569.A NH2 ASP 449.A OD2 no hydrogen 2.791 N/A GLU 570.A N ARG 566.A O no hydrogen 2.786 N/A GLU 571.A N ARG 566.A O no hydrogen 3.096 N/A LEU 572.A N PHE 567.A O no hydrogen 2.763 N/A ASP 573.A N GLU 570.A O no hydrogen 3.247 N/A THR 574.A N ARG 569.A O no hydrogen 2.904 N/A THR 574.A OG1 VAL 568.A O no hydrogen 2.618 N/A MET 577.A N GLN 446.A OE1 no hydrogen 2.711 N/A ARG 580.A N SER 578.A OG no hydrogen 2.861 N/A ARG 580.A NE GLU 553.A OE1 no hydrogen 2.874 N/A ARG 580.A NE GLU 553.A OE2 no hydrogen 3.322 N/A ARG 580.A NH1 GLY 371.A O no hydrogen 3.227 N/A ARG 580.A NH2 GLY 371.A O no hydrogen 2.726 N/A ARG 580.A NH2 GLU 553.A OE2 no hydrogen 2.889 N/A ARG 581.A N SER 578.A O no hydrogen 3.181 N/A ARG 581.A NE ASP 588.A OD2 no hydrogen 2.933 N/A ARG 581.A NH2 ASP 588.A OD1 no hydrogen 2.721 N/A ARG 581.A NH2 ASP 588.A OD2 no hydrogen 3.451 N/A GLN 583.A N GLN 583.A OE1 no hydrogen 2.809 N/A THR 584.A N GLU 587.A OE2 no hydrogen 2.832 N/A THR 584.A OG1 GLU 587.A OE2 no hydrogen 3.118 N/A GLU 587.A N THR 584.A OG1 no hydrogen 3.341 N/A ASP 588.A N THR 584.A O no hydrogen 3.333 N/A VAL 589.A N PRO 585.A O no hydrogen 2.906 N/A GLN 590.A N GLN 586.A O no hydrogen 2.761 N/A GLN 590.A NE2 ASP 594.A OD1 no hydrogen 3.026 N/A LYS 591.A NZ LEU 572.A O no hydrogen 2.914 N/A VAL 592.A N ASP 588.A O no hydrogen 3.394 N/A PHE 593.A N VAL 589.A O no hydrogen 2.807 N/A ASP 594.A N GLN 590.A O no hydrogen 2.847 N/A ALA 595.A N LYS 591.A O no hydrogen 3.211 N/A ILE 596.A N VAL 592.A O no hydrogen 2.988 N/A ALA 597.A N PHE 593.A O no hydrogen 2.807 N/A ASP 598.A N ASP 594.A O no hydrogen 3.051 N/A GLY 599.A N ILE 596.A O no hydrogen 3.357 N/A ARG 600.A N ASP 598.A OD1 no hydrogen 3.084 N/A ARG 600.A NH1 ASP 598.A OD1 no hydrogen 3.454 N/A ARG 600.A NH1 ASP 598.A OD2 no hydrogen 2.768 N/A ILE 601.A N ALA 595.A O no hydrogen 2.926 N/A THR 602.A N GLY 599.A O no hydrogen 3.067 N/A THR 602.A OG1 GLY 599.A O no hydrogen 2.979 N/A VAL 603.A N ARG 600.A O no hydrogen 3.225 N/A LEU 605.A N ILE 601.A O no hydrogen 3.237 N/A LEU 606.A N THR 602.A O no hydrogen 2.836 N/A HIS 607.A N VAL 603.A O no hydrogen 3.007 N/A CYS 608.A N PRO 604.A O no hydrogen 2.891 N/A CYS 608.A SG LYS 560.A O no hydrogen 3.377 N/A LEU 609.A N LEU 605.A O no hydrogen 3.143 N/A GLN 610.A N HIS 607.A O no hydrogen 3.236 N/A PHE 612.A N LEU 609.A O no hydrogen 3.137 N/A