Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3n2o_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N LYS 1.A O no hydrogen 3.369 N/A ARG 6.A N LEU 2.A O no hydrogen 2.737 N/A ARG 6.A NE ILE 21.A O no hydrogen 3.059 N/A ARG 6.A NH1 ASP 3.A OD1 no hydrogen 3.467 N/A ARG 6.A NH2 ILE 21.A O no hydrogen 3.119 N/A ARG 6.A NH2 ASP 23.A OD1 no hydrogen 3.195 N/A ASP 8.A N ARG 4.A O no hydrogen 3.182 N/A TYR 9.A N VAL 5.A O no hydrogen 3.161 N/A TYR 9.A OH PRO 522.A O no hydrogen 2.680 N/A ASN 10.A N ARG 6.A O no hydrogen 2.779 N/A ASN 10.A ND2 GLY 514.A O no hydrogen 2.712 N/A TYR 13.A N ASN 10.A O no hydrogen 3.079 N/A TRP 14.A N VAL 11.A O no hydrogen 3.102 N/A SER 15.A N VAL 11.A O no hydrogen 2.920 N/A SER 15.A OG VAL 11.A O no hydrogen 3.293 N/A SER 15.A OG TYR 19.A O no hydrogen 2.910 N/A GLY 17.A N SER 15.A OG no hydrogen 3.285 N/A PHE 18.A N SER 15.A O no hydrogen 2.997 N/A TYR 19.A OH HIS 342.A O no hydrogen 2.698 N/A GLY 20.A N TYR 28.A O no hydrogen 3.282 N/A ASP 22.A N GLU 26.A O no hydrogen 2.902 N/A GLY 25.A N ASP 22.A O no hydrogen 3.119 N/A GLU 26.A N ASP 22.A OD1 no hydrogen 2.846 N/A MET 27.A N LEU 484.A O no hydrogen 2.862 N/A TYR 28.A N GLY 20.A O no hydrogen 2.905 N/A VAL 29.A N ILE 39.A O no hydrogen 2.953 N/A SER 30.A N PHE 18.A O no hydrogen 2.725 N/A SER 30.A OG ASN 35.A OD1 no hydrogen 2.853 N/A ARG 32.A NE ASP 34.A OD1 no hydrogen 2.981 N/A ARG 32.A NE ASP 34.A OD2 no hydrogen 3.266 N/A ARG 32.A NH1 VAL 563.A O no hydrogen 2.702 N/A ARG 32.A NH2 ASP 34.A OD2 no hydrogen 2.796 N/A ASN 35.A N ARG 32.A O no hydrogen 3.007 N/A ALA 36.A N ASP 34.A OD1 no hydrogen 2.824 N/A ILE 39.A N VAL 29.A O no hydrogen 3.063 N/A GLN 40.A NE2 ASP 22.A OD2 no hydrogen 2.696 N/A LEU 41.A N MET 27.A O no hydrogen 3.037 N/A SER 42.A OG GLU 26.A OE1 no hydrogen 2.737 N/A LYS 43.A N GLN 40.A O no hydrogen 2.791 N/A ILE 44.A N GLN 40.A O no hydrogen 3.146 N/A VAL 45.A N LEU 41.A O no hydrogen 2.975 N/A LYS 46.A N SER 42.A O no hydrogen 2.891 N/A GLN 47.A N LYS 43.A O no hydrogen 3.252 N/A GLN 47.A NE2 ILE 569.A O no hydrogen 2.958 N/A LEU 48.A N ILE 44.A O no hydrogen 3.004 N/A GLU 49.A N VAL 45.A O no hydrogen 2.985 N/A GLU 50.A N LYS 46.A O no hydrogen 3.143 N/A GLN 52.A N GLU 49.A O no hydrogen 2.846 N/A LEU 53.A N LEU 48.A O no hydrogen 2.961 N/A VAL 57.A N ILE 347.A O no hydrogen 2.870 N/A LEU 58.A N HIS 557.A O no hydrogen 2.860 N/A VAL 59.A N VAL 345.A O no hydrogen 2.969 N/A ARG 60.A N VAL 559.A O no hydrogen 2.953 N/A ARG 60.A NH1 HIS 343.A NE2 no hydrogen 3.245 N/A ARG 60.A NH1 GLU 544.A OE1 no hydrogen 2.984 N/A ARG 60.A NH2 GLU 544.A OE1 no hydrogen 2.867 N/A PHE 61.A N HIS 343.A O no hydrogen 2.835 N/A ILE 64.A N PHE 61.A O no hydrogen 2.877 N/A HIS 66.A N PRO 62.A O no hydrogen 2.996 N/A HIS 66.A NE2 GLU 106.A OE1 no hydrogen 2.790 N/A GLN 67.A N GLN 63.A O no hydrogen 3.353 N/A GLN 67.A NE2 PRO 31.A O no hydrogen 2.540 N/A ARG 68.A N ILE 64.A O no hydrogen 3.148 N/A ARG 68.A NE SER 338.A O no hydrogen 2.880 N/A ARG 68.A NH2 SER 338.A O no hydrogen 3.402 N/A ARG 68.A NH2 SER 338.A OG no hydrogen 2.988 N/A VAL 69.A N LEU 65.A O no hydrogen 3.087 N/A HIS 70.A N HIS 66.A O no hydrogen 3.151 N/A SER 71.A N GLN 67.A O no hydrogen 2.784 N/A SER 71.A OG GLN 67.A O no hydrogen 2.950 N/A ILE 72.A N ARG 68.A O no hydrogen 2.935 N/A CYS 73.A N VAL 69.A O no hydrogen 3.186 N/A CYS 73.A SG VAL 69.A O no hydrogen 3.529 N/A ASP 74.A N HIS 70.A O no hydrogen 2.713 N/A ALA 75.A N SER 71.A O no hydrogen 2.876 N/A PHE 76.A N ILE 72.A O no hydrogen 3.099 N/A ASN 77.A N CYS 73.A O no hydrogen 2.991 N/A GLN 78.A N ASP 74.A O no hydrogen 2.901 N/A GLN 78.A NE2 GLU 82.A OE2 no hydrogen 3.121 N/A ALA 79.A N ALA 75.A O no hydrogen 3.229 N/A ILE 80.A N PHE 76.A O no hydrogen 2.895 N/A GLU 81.A N ASN 77.A O no hydrogen 2.892 N/A GLU 82.A N GLN 78.A O no hydrogen 2.894 N/A TYR 83.A N ALA 79.A O no hydrogen 2.999 N/A TYR 83.A OH ASP 319.A OD1 no hydrogen 2.660 N/A GLN 84.A N GLU 81.A O no hydrogen 3.166 N/A TYR 85.A N ILE 80.A O no hydrogen 2.786 N/A TYR 85.A OH PRO 329.A O no hydrogen 2.680 N/A ASN 87.A ND2 MET 328.A O no hydrogen 2.577 N/A LYS 88.A N ASN 87.A OD1 no hydrogen 2.803 N/A TYR 89.A OH SER 333.A OG no hydrogen 2.667 N/A LEU 90.A N ILE 331.A O no hydrogen 2.694 N/A VAL 92.A N SER 333.A O no hydrogen 3.205 N/A TYR 93.A N GLY 120.A O no hydrogen 2.880 N/A TYR 93.A OH ASN 98.A O no hydrogen 2.739 N/A ILE 95.A N GLU 122.A O no hydrogen 3.082 N/A ASN 98.A ND2 GLY 540.A O no hydrogen 3.230 N/A ASN 98.A ND2 GLU 544.A OE1 no hydrogen 2.836 N/A GLN 99.A N GLN 99.A OE1 no hydrogen 2.976 N/A GLN 99.A NE2 GLU 128.A OE2 no hydrogen 3.191 N/A GLN 100.A N ASN 98.A OD1 no hydrogen 3.252 N/A ARG 101.A NH1 ASP 105.A OD2 no hydrogen 2.708 N/A GLU 102.A N GLU 102.A OE1 no hydrogen 2.627 N/A VAL 103.A N GLN 100.A O no hydrogen 2.902 N/A VAL 104.A N GLN 100.A O no hydrogen 3.098 N/A ASP 105.A N ARG 101.A O no hydrogen 2.876 N/A ILE 107.A N VAL 103.A O no hydrogen 3.017 N/A LEU 108.A N VAL 104.A O no hydrogen 2.877 N/A ALA 109.A N ASP 105.A O no hydrogen 2.883 N/A SER 110.A N GLU 106.A O no hydrogen 3.223 N/A SER 110.A N ILE 107.A O no hydrogen 3.323 N/A SER 110.A OG GLU 106.A O no hydrogen 3.009 N/A GLN 111.A N ILE 107.A O no hydrogen 3.316 N/A GLN 111.A NE2 GLY 120.A O no hydrogen 3.213 N/A ALA 112.A N LEU 108.A O no hydrogen 3.191 N/A LYS 117.A N LEU 114.A O no hydrogen 2.759 N/A LYS 117.A NZ ALA 112.A O no hydrogen 3.472 N/A GLN 118.A NE2 LEU 119.A O no hydrogen 3.073 N/A GLY 120.A N GLN 111.A OE1 no hydrogen 3.056 N/A LEU 121.A N VAL 142.A O no hydrogen 3.023 N/A GLU 122.A N TYR 93.A O no hydrogen 3.034 N/A ALA 123.A N VAL 144.A O no hydrogen 2.943 N/A GLY 124.A N GLU 128.A OE1 no hydrogen 2.818 N/A GLU 128.A N SER 125.A OG no hydrogen 3.194 N/A LEU 129.A N SER 125.A O no hydrogen 2.866 N/A LEU 130.A N LYS 126.A O no hydrogen 3.226 N/A ALA 131.A N PRO 127.A O no hydrogen 3.080 N/A VAL 132.A N GLU 128.A O no hydrogen 2.800 N/A LEU 133.A N LEU 129.A O no hydrogen 2.868 N/A ALA 134.A N LEU 130.A O no hydrogen 3.060 N/A MET 135.A N ALA 131.A O no hydrogen 3.035 N/A ALA 136.A N VAL 132.A O no hydrogen 3.014 N/A SER 140.A OG GLY 164.A O no hydrogen 2.672 N/A SER 141.A OG VAL 142.A O no hydrogen 3.141 N/A VAL 142.A N LEU 119.A O no hydrogen 2.892 N/A ILE 143.A N LYS 166.A O no hydrogen 2.853 N/A VAL 144.A N LEU 121.A O no hydrogen 2.873 N/A CYS 145.A N PHE 168.A O no hydrogen 2.761 N/A ASN 146.A N ALA 123.A O no hydrogen 2.930 N/A ASN 146.A ND2 GLU 122.A OE2 no hydrogen 2.594 N/A GLY 147.A N GLU 172.A OE1 no hydrogen 2.362 N/A GLY 147.A N GLU 172.A OE2 no hydrogen 3.396 N/A LYS 149.A NZ GLY 147.A O no hydrogen 2.794 N/A LYS 149.A NZ VAL 170.A O no hydrogen 2.900 N/A LYS 149.A NZ GLU 172.A OE1 no hydrogen 2.816 N/A LYS 149.A NZ GLU 176.A OE1 no hydrogen 2.800 N/A TYR 153.A N ASP 150.A OD1 no hydrogen 2.788 N/A TYR 153.A OH ASN 146.A O no hydrogen 2.779 N/A ILE 154.A N ASP 150.A O no hydrogen 3.086 N/A ARG 155.A N ARG 151.A O no hydrogen 2.913 N/A ARG 155.A NH1 GLU 183.A OE1 no hydrogen 2.758 N/A ARG 155.A NH1 SER 186.A OG no hydrogen 3.149 N/A LEU 156.A N GLU 152.A O no hydrogen 3.041 N/A ALA 157.A N TYR 153.A O no hydrogen 3.090 N/A LEU 158.A N ILE 154.A O no hydrogen 2.999 N/A ILE 159.A N ARG 155.A O no hydrogen 2.870 N/A GLY 160.A N LEU 156.A O no hydrogen 2.935 N/A GLU 161.A N ALA 157.A O no hydrogen 3.163 N/A LYS 162.A N LEU 158.A O no hydrogen 2.803 N/A LEU 163.A N ILE 159.A O no hydrogen 2.900 N/A GLY 164.A N GLU 161.A O no hydrogen 2.916 N/A HIS 165.A N GLY 160.A O no hydrogen 3.139 N/A HIS 165.A NE2 ALA 136.A O no hydrogen 2.869 N/A LYS 166.A N SER 141.A O no hydrogen 3.137 N/A VAL 167.A N GLU 161.A OE1 no hydrogen 2.914 N/A PHE 168.A N ILE 143.A O no hydrogen 2.711 N/A ILE 169.A N ARG 192.A O no hydrogen 3.016 N/A VAL 170.A N CYS 145.A O no hydrogen 2.951 N/A LEU 171.A N GLY 194.A O no hydrogen 2.764 N/A GLU 172.A N GLU 176.A OE1 no hydrogen 2.562 N/A GLU 176.A N LYS 173.A O no hydrogen 3.171 N/A LEU 177.A N MET 174.A O no hydrogen 3.295 N/A VAL 180.A N GLU 176.A O no hydrogen 2.845 N/A LEU 181.A N LEU 177.A O no hydrogen 3.086 N/A ARG 182.A N ASP 178.A O no hydrogen 3.387 N/A ARG 182.A NE ASP 178.A OD2 no hydrogen 3.252 N/A GLU 183.A N LEU 179.A O no hydrogen 3.036 N/A ALA 184.A N VAL 180.A O no hydrogen 2.960 N/A LYS 185.A N LEU 181.A O no hydrogen 3.087 N/A SER 186.A N ARG 182.A O no hydrogen 3.013 N/A LEU 187.A N GLU 183.A O no hydrogen 3.047 N/A GLY 188.A N LYS 185.A O no hydrogen 3.111 N/A VAL 189.A N ALA 184.A O no hydrogen 3.014 N/A ARG 192.A NE GLU 161.A OE1 no hydrogen 3.151 N/A ARG 192.A NE GLU 161.A OE2 no hydrogen 2.812 N/A ARG 192.A NH1 GLN 241.A OE1 no hydrogen 3.075 N/A ARG 192.A NH2 GLU 161.A OE2 no hydrogen 3.083 N/A LEU 193.A N THR 239.A O no hydrogen 2.856 N/A GLY 194.A N ILE 169.A O no hydrogen 2.895 N/A ILE 195.A N LEU 242.A O no hydrogen 2.853 N/A ARG 196.A N LEU 171.A O no hydrogen 2.832 N/A ARG 196.A NH1 GLU 172.A OE2 no hydrogen 3.476 N/A ILE 197.A N HIS 244.A O no hydrogen 2.918 N/A ARG 198.A N LEU 219.A O no hydrogen 3.059 N/A ARG 198.A NE GLY 218.A O no hydrogen 2.758 N/A ARG 198.A NH1 LYS 206.A O no hydrogen 2.916 N/A ARG 198.A NH1 SER 215.A O no hydrogen 3.274 N/A ARG 198.A NH2 SER 215.A O no hydrogen 2.899 N/A ALA 200.A N GLU 263.A OE1 no hydrogen 3.038 N/A ALA 200.A N GLU 263.A OE2 no hydrogen 2.783 N/A SER 201.A N GLU 263.A OE1 no hydrogen 2.864 N/A SER 201.A OG GLU 263.A OE1 no hydrogen 2.752 N/A GLN 202.A NE2 SER 201.A OG no hydrogen 3.089 N/A GLN 202.A NE2 ASP 256.A O no hydrogen 3.496 N/A LYS 206.A NZ GLN 202.A O no hydrogen 2.766 N/A GLN 208.A N GLY 205.A O no hydrogen 3.203 N/A GLN 208.A NE2 SER 210.A OG no hydrogen 2.775 N/A LYS 214.A NZ GLY 212.A O no hydrogen 2.787 N/A SER 215.A N GLU 213.A OE1 no hydrogen 2.870 N/A SER 215.A N GLU 213.A OE2 no hydrogen 3.248 N/A SER 215.A OG GLU 213.A OE2 no hydrogen 3.525 N/A GLY 218.A N GLU 172.A O no hydrogen 2.926 N/A LEU 219.A N ARG 196.A O no hydrogen 2.559 N/A SER 220.A N GLN 223.A OE1 no hydrogen 2.994 N/A VAL 224.A N SER 220.A O no hydrogen 2.804 N/A LEU 225.A N ALA 221.A O no hydrogen 3.070 N/A ASN 226.A N SER 222.A O no hydrogen 3.084 N/A VAL 227.A N GLN 223.A O no hydrogen 3.040 N/A ILE 228.A N VAL 224.A O no hydrogen 3.153 N/A SER 229.A N LEU 225.A O no hydrogen 3.012 N/A ARG 230.A N ASN 226.A O no hydrogen 2.777 N/A ARG 230.A NE GLU 234.A OE2 no hydrogen 2.850 N/A ARG 230.A NH1 ASP 178.A OD1 no hydrogen 2.976 N/A ARG 230.A NH2 ASP 178.A OD1 no hydrogen 2.739 N/A LEU 231.A N VAL 227.A O no hydrogen 2.807 N/A LYS 232.A N ILE 228.A O no hydrogen 2.860 N/A LYS 232.A NZ LEU 274.A O no hydrogen 2.563 N/A LYS 233.A N SER 229.A O no hydrogen 3.258 N/A GLU 234.A N LEU 231.A O no hydrogen 3.039 N/A ASN 235.A N LYS 232.A O no hydrogen 3.159 N/A GLN 236.A N LEU 231.A O no hydrogen 2.939 N/A THR 239.A N GLN 236.A O no hydrogen 2.957 N/A THR 239.A OG1 GLN 236.A O no hydrogen 2.761 N/A LEU 240.A N LEU 237.A O no hydrogen 3.212 N/A GLN 241.A N LEU 193.A O no hydrogen 2.848 N/A GLN 241.A NE2 ASP 238.A O no hydrogen 3.030 N/A VAL 243.A N TYR 280.A O no hydrogen 2.930 N/A HIS 244.A N ILE 195.A O no hydrogen 2.773 N/A PHE 245.A N ASP 282.A O no hydrogen 3.164 N/A GLN 250.A NE2 ILE 289.A O no hydrogen 2.746 N/A GLN 250.A NE2 SER 301.A O no hydrogen 3.543 N/A MET 251.A N GLY 286.A O no hydrogen 2.834 N/A ILE 254.A N ASN 303.A OD1 no hydrogen 3.088 N/A ARG 255.A N ASN 253.A OD1 no hydrogen 3.330 N/A ASP 256.A N ASN 253.A O no hydrogen 3.013 N/A ARG 258.A N ILE 254.A O no hydrogen 2.976 N/A ASN 259.A N ARG 255.A O no hydrogen 2.808 N/A GLY 260.A N ASP 256.A O no hydrogen 2.917 N/A VAL 261.A N VAL 257.A O no hydrogen 2.944 N/A ASN 262.A N ARG 258.A O no hydrogen 2.790 N/A GLU 263.A N ASN 259.A O no hydrogen 2.961 N/A SER 264.A N GLY 260.A O no hydrogen 3.000 N/A SER 264.A OG GLY 260.A O no hydrogen 2.821 N/A ALA 265.A N VAL 261.A O no hydrogen 2.831 N/A ARG 266.A N ASN 262.A O no hydrogen 3.321 N/A PHE 267.A N GLU 263.A O no hydrogen 3.251 N/A TYR 268.A N SER 264.A O no hydrogen 2.862 N/A TYR 268.A OH PRO 327.A O no hydrogen 2.812 N/A CYS 269.A N ALA 265.A O no hydrogen 2.988 N/A CYS 269.A SG ALA 265.A O no hydrogen 3.489 N/A GLU 270.A N ARG 266.A O no hydrogen 2.977 N/A LEU 271.A N PHE 267.A O no hydrogen 2.852 N/A ARG 272.A N TYR 268.A O no hydrogen 3.078 N/A ARG 272.A NE GLN 326.A OE1 no hydrogen 3.371 N/A ARG 272.A NH1 ASN 277.A OD1 no hydrogen 2.922 N/A ARG 272.A NH1 ILE 278.A O no hydrogen 2.827 N/A ARG 272.A NH2 ASN 277.A OD1 no hydrogen 3.132 N/A THR 273.A N CYS 269.A O no hydrogen 3.015 N/A THR 273.A OG1 CYS 269.A O no hydrogen 3.334 N/A LEU 274.A N GLU 270.A O no hydrogen 3.023 N/A GLY 275.A N ARG 272.A O no hydrogen 3.020 N/A ALA 276.A N LEU 271.A O no hydrogen 3.113 N/A THR 279.A N GLN 241.A O no hydrogen 2.758 N/A TYR 280.A N GLN 241.A O no hydrogen 2.846 N/A PHE 281.A N VAL 330.A O no hydrogen 2.859 N/A ASP 282.A N VAL 243.A O no hydrogen 2.782 N/A VAL 283.A N ILE 332.A O no hydrogen 2.891 N/A GLY 284.A N ASP 282.A OD1 no hydrogen 3.011 N/A GLY 285.A N HIS 246.A ND1 no hydrogen 3.133 N/A ALA 288.A N TYR 304.A OH no hydrogen 3.198 N/A ILE 289.A N GLN 250.A OE1 no hydrogen 2.887 N/A TYR 291.A N ASN 300.A O no hydrogen 3.168 N/A THR 294.A N ASP 292.A OD1 no hydrogen 2.902 N/A THR 294.A OG1 ASP 292.A OD1 no hydrogen 2.666 N/A THR 294.A OG1 SER 296.A OG no hydrogen 2.741 N/A ARG 295.A N ASP 290.A OD2 no hydrogen 3.061 N/A SER 296.A N SER 301.A OG no hydrogen 3.079 N/A SER 296.A OG THR 294.A OG1 no hydrogen 2.741 N/A ASN 300.A N SER 298.A OG no hydrogen 3.273 N/A ASN 300.A ND2 GLN 477.A OE1 no hydrogen 2.358 N/A SER 301.A N SER 298.A O no hydrogen 3.035 N/A SER 301.A OG ASP 290.A OD1 no hydrogen 2.593 N/A SER 301.A OG ASP 292.A OD1 no hydrogen 3.559 N/A SER 301.A OG SER 296.A O no hydrogen 3.416 N/A ASN 303.A N ALA 252.A O no hydrogen 2.965 N/A ASN 303.A ND2 ASN 253.A OD1 no hydrogen 3.159 N/A TYR 304.A OH MET 251.A O no hydrogen 2.755 N/A GLY 305.A N GLU 308.A OE1 no hydrogen 3.238 N/A TYR 309.A N GLY 305.A O no hydrogen 3.091 N/A ALA 310.A N LEU 306.A O no hydrogen 3.026 N/A ARG 311.A N VAL 307.A O no hydrogen 2.835 N/A ARG 311.A NE GLU 82.A OE1 no hydrogen 3.153 N/A ARG 311.A NH2 GLU 82.A OE1 no hydrogen 3.264 N/A ARG 311.A NH2 GLU 82.A OE2 no hydrogen 3.351 N/A ASN 312.A N GLU 308.A O no hydrogen 3.003 N/A ILE 313.A N TYR 309.A O no hydrogen 3.113 N/A VAL 314.A N ALA 310.A O no hydrogen 2.830 N/A ASN 315.A N ARG 311.A O no hydrogen 2.814 N/A THR 316.A N ASN 312.A O no hydrogen 3.383 N/A THR 316.A OG1 ASN 312.A O no hydrogen 2.510 N/A VAL 317.A N ILE 313.A O no hydrogen 3.117 N/A GLY 318.A N VAL 314.A O no hydrogen 2.856 N/A ASP 319.A N ASN 315.A O no hydrogen 2.939 N/A VAL 320.A N THR 316.A O no hydrogen 3.012 N/A CYS 321.A N VAL 317.A O no hydrogen 3.015 N/A CYS 321.A SG VAL 317.A O no hydrogen 3.198 N/A CYS 321.A SG PRO 327.A O no hydrogen 4.043 N/A LYS 322.A N GLY 318.A O no hydrogen 2.802 N/A LYS 322.A NZ TYR 83.A OH no hydrogen 3.194 N/A ASP 323.A N ASP 319.A O no hydrogen 3.182 N/A TYR 324.A N VAL 320.A O no hydrogen 3.261 N/A TYR 324.A N CYS 321.A O no hydrogen 3.113 N/A TYR 324.A OH GLU 270.A OE2 no hydrogen 3.318 N/A LYS 325.A N LYS 322.A O no hydrogen 3.236 N/A GLN 326.A N CYS 321.A O no hydrogen 3.034 N/A VAL 330.A N THR 279.A O no hydrogen 2.868 N/A ILE 331.A N LYS 88.A O no hydrogen 2.872 N/A ILE 332.A N PHE 281.A O no hydrogen 2.832 N/A SER 333.A N LEU 90.A O no hydrogen 3.400 N/A SER 333.A OG TYR 89.A OH no hydrogen 2.667 N/A SER 333.A OG SER 335.A OG no hydrogen 2.818 N/A GLU 334.A N GLY 284.A O no hydrogen 2.983 N/A SER 335.A OG SER 333.A OG no hydrogen 2.818 N/A GLY 336.A N GLU 334.A O no hydrogen 3.140 N/A ARG 337.A NE SER 249.A OG no hydrogen 3.206 N/A ARG 337.A NH1 TYR 291.A OH no hydrogen 2.974 N/A ARG 337.A NH2 SER 249.A OG no hydrogen 2.524 N/A LEU 339.A N SER 335.A O no hydrogen 3.275 N/A THR 340.A N ARG 337.A O no hydrogen 3.024 N/A THR 340.A OG1 GLY 336.A O no hydrogen 2.904 N/A ALA 341.A N ARG 337.A O no hydrogen 2.994 N/A HIS 342.A NE2 TRP 14.A O no hydrogen 2.928 N/A HIS 343.A N THR 340.A O no hydrogen 3.399 N/A HIS 343.A ND1 THR 340.A O no hydrogen 2.731 N/A VAL 345.A N VAL 59.A O no hydrogen 2.992 N/A LEU 346.A N PHE 536.A O no hydrogen 2.937 N/A ILE 347.A N VAL 57.A O no hydrogen 2.755 N/A SER 348.A N MET 534.A O no hydrogen 3.210 N/A SER 348.A OG ASN 462.A O no hydrogen 2.648 N/A ASN 349.A N SER 348.A OG no hydrogen 2.739 N/A ASN 349.A ND2 SER 348.A OG no hydrogen 3.385 N/A VAL 350.A N TYR 532.A O no hydrogen 3.000 N/A ILE 351.A N PHE 460.A O no hydrogen 2.814 N/A GLU 354.A N LYS 458.A O no hydrogen 2.958 N/A PHE 368.A N GLU 365.A O no hydrogen 2.824 N/A ASN 373.A N PRO 369.A O no hydrogen 3.190 N/A ASN 374.A N LEU 370.A O no hydrogen 2.833 N/A MET 375.A N LEU 371.A O no hydrogen 3.363 N/A TRP 376.A N LEU 372.A O no hydrogen 3.158 N/A ARG 377.A N ASN 373.A O no hydrogen 2.863 N/A ARG 377.A NH2 ASN 374.A OD1 no hydrogen 3.136 N/A SER 378.A N ASN 374.A O no hydrogen 3.002 N/A SER 378.A OG ASN 374.A O no hydrogen 3.024 N/A TRP 379.A N MET 375.A O no hydrogen 2.989 N/A LEU 380.A N TRP 376.A O no hydrogen 2.982 N/A ASN 381.A N ARG 377.A O no hydrogen 3.125 N/A ASN 381.A N SER 378.A O no hydrogen 3.177 N/A LEU 382.A N TRP 379.A O no hydrogen 3.234 N/A HIS 383.A N THR 386.A OG1 no hydrogen 2.941 N/A GLY 385.A N HIS 383.A ND1 no hydrogen 2.944 N/A THR 386.A N HIS 383.A O no hydrogen 3.202 N/A THR 386.A OG1 ASN 381.A O no hydrogen 2.703 N/A THR 386.A OG1 HIS 383.A O no hydrogen 3.029 N/A ALA 390.A N ASP 387.A OD1 no hydrogen 3.022 N/A LEU 391.A N ASP 387.A O no hydrogen 2.975 N/A GLU 393.A N ARG 389.A O no hydrogen 3.172 N/A ILE 394.A N ALA 390.A O no hydrogen 3.130 N/A ILE 394.A N LEU 391.A O no hydrogen 3.059 N/A TYR 395.A N LEU 391.A O no hydrogen 2.973 N/A TYR 395.A OH GLU 450.A OE2 no hydrogen 2.538 N/A ASN 396.A N ILE 392.A O no hydrogen 2.943 N/A ASP 397.A N GLU 393.A O no hydrogen 2.805 N/A THR 398.A N ILE 394.A O no hydrogen 2.935 N/A THR 398.A OG1 ILE 394.A O no hydrogen 2.751 N/A GLN 399.A N TYR 395.A O no hydrogen 3.021 N/A SER 400.A N ASN 396.A O no hydrogen 3.091 N/A SER 400.A OG ASN 396.A O no hydrogen 3.103 N/A ASP 401.A N ASP 397.A O no hydrogen 2.846 N/A LEU 402.A N THR 398.A O no hydrogen 2.813 N/A ALA 403.A N GLN 399.A O no hydrogen 2.884 N/A GLU 404.A N SER 400.A O no hydrogen 2.964 N/A VAL 405.A N ASP 401.A O no hydrogen 2.891 N/A HIS 406.A N LEU 402.A O no hydrogen 2.812 N/A HIS 406.A NE2 GLU 423.A OE2 no hydrogen 2.904 N/A SER 407.A N ALA 403.A O no hydrogen 3.132 N/A SER 407.A OG ALA 403.A O no hydrogen 3.176 N/A GLN 408.A N GLU 404.A O no hydrogen 2.874 N/A PHE 409.A N VAL 405.A O no hydrogen 2.940 N/A ALA 410.A N HIS 406.A O no hydrogen 3.182 N/A THR 411.A N SER 407.A O no hydrogen 3.264 N/A THR 411.A OG1 SER 407.A O no hydrogen 3.151 N/A THR 411.A OG1 GLN 408.A O no hydrogen 3.416 N/A GLY 412.A N PHE 409.A O no hydrogen 3.069 N/A VAL 413.A N GLN 408.A O no hydrogen 2.815 N/A LEU 414.A N GLN 408.A O no hydrogen 3.390 N/A HIS 418.A N THR 415.A OG1 no hydrogen 3.127 N/A HIS 418.A NE2 ASP 367.A OD1 no hydrogen 3.194 N/A ARG 419.A N THR 415.A O no hydrogen 3.107 N/A ARG 419.A NE GLU 423.A OE2 no hydrogen 2.844 N/A ALA 420.A N LEU 416.A O no hydrogen 2.908 N/A TRP 421.A N GLU 417.A O no hydrogen 2.883 N/A TRP 421.A NE1 THR 362.A O no hydrogen 2.957 N/A TRP 421.A NE1 THR 362.A OG1 no hydrogen 3.087 N/A ALA 422.A N HIS 418.A O no hydrogen 2.941 N/A GLU 423.A N ARG 419.A O no hydrogen 2.862 N/A GLN 424.A N ALA 420.A O no hydrogen 2.906 N/A GLN 424.A NE2 GLU 359.A OE2 no hydrogen 2.588 N/A THR 425.A N TRP 421.A O no hydrogen 2.864 N/A THR 425.A OG1 TRP 421.A O no hydrogen 2.861 N/A SER 426.A N ALA 422.A O no hydrogen 2.900 N/A SER 426.A OG ALA 422.A O no hydrogen 2.802 N/A LEU 427.A N GLU 423.A O no hydrogen 3.053 N/A ARG 428.A N GLN 424.A O no hydrogen 3.130 N/A ARG 428.A NE GLU 432.A OE2 no hydrogen 2.807 N/A ARG 428.A NH1 GLU 359.A O no hydrogen 2.669 N/A ARG 428.A NH2 GLU 432.A OE2 no hydrogen 2.428 N/A ILE 429.A N THR 425.A O no hydrogen 2.947 N/A TYR 430.A N SER 426.A O no hydrogen 2.858 N/A TYR 431.A N LEU 427.A O no hydrogen 2.900 N/A GLU 432.A N ARG 428.A O no hydrogen 2.976 N/A LEU 433.A N ILE 429.A O no hydrogen 2.717 N/A ASN 434.A N TYR 430.A O no hydrogen 2.825 N/A ARG 435.A N GLU 432.A O no hydrogen 2.778 N/A LEU 436.A N GLU 432.A O no hydrogen 2.861 N/A MET 437.A N LEU 433.A O no hydrogen 3.131 N/A LYS 440.A N SER 438.A OG no hydrogen 2.926 N/A LYS 440.A NZ THR 439.A O no hydrogen 3.145 N/A ASN 441.A N SER 438.A O no hydrogen 3.075 N/A PHE 443.A N ASN 441.A OD1 no hydrogen 2.794 N/A HIS 444.A N ASN 441.A O no hydrogen 3.042 N/A HIS 444.A N ASN 441.A OD1 no hydrogen 3.382 N/A ARG 445.A N ASN 441.A O no hydrogen 3.203 N/A ARG 445.A NH1 THR 439.A O no hydrogen 3.132 N/A LEU 448.A N HIS 444.A O no hydrogen 2.844 N/A ASP 449.A N ARG 445.A O no hydrogen 3.017 N/A GLU 450.A N PRO 446.A O no hydrogen 3.063 N/A LEU 451.A N ILE 447.A O no hydrogen 2.688 N/A SER 452.A N LEU 448.A O no hydrogen 2.916 N/A GLU 453.A N GLU 450.A O no hydrogen 3.054 N/A ARG 454.A N GLU 450.A O no hydrogen 3.182 N/A LEU 455.A N LEU 451.A O no hydrogen 2.977 N/A ALA 456.A N GLU 453.A O no hydrogen 3.278 N/A ASP 457.A N ARG 494.A O no hydrogen 2.810 N/A LYS 458.A N GLU 354.A O no hydrogen 2.999 N/A PHE 459.A N VAL 496.A O no hydrogen 2.948 N/A PHE 460.A N GLY 352.A O no hydrogen 2.875 N/A VAL 461.A N LEU 498.A O no hydrogen 2.766 N/A ASN 462.A N ASN 349.A O no hydrogen 2.815 N/A ASN 462.A ND2 LEU 628.A O no hydrogen 2.759 N/A LEU 465.A N ASP 499.A OD2 no hydrogen 2.851 N/A GLN 467.A N SER 464.A O no hydrogen 3.195 N/A GLN 467.A NE2 PHE 553.A O no hydrogen 3.400 N/A SER 468.A N SER 464.A O no hydrogen 2.979 N/A LEU 469.A N LEU 465.A O no hydrogen 2.906 N/A SER 472.A N LEU 469.A O no hydrogen 3.149 N/A TRP 473.A NE1 ASP 505.A OD2 no hydrogen 3.149 N/A GLY 474.A N PRO 470.A O no hydrogen 2.913 N/A ILE 475.A N ASP 471.A O no hydrogen 2.876 N/A GLN 477.A N ASP 471.A O no hydrogen 3.181 N/A LEU 482.A N GLY 535.A O no hydrogen 2.943 N/A LEU 484.A N LEU 533.A O no hydrogen 2.834 N/A SER 485.A OG GLU 26.A OE1 no hydrogen 2.781 N/A SER 485.A OG GLU 26.A OE2 no hydrogen 2.887 N/A LEU 487.A N GLY 25.A O no hydrogen 3.045 N/A GLN 488.A N GLN 488.A OE1 no hydrogen 2.516 N/A ASN 489.A N GLY 486.A O no hydrogen 3.084 N/A ALA 490.A N LEU 487.A O no hydrogen 3.175 N/A ASP 492.A N ASN 489.A O no hydrogen 2.869 N/A ARG 493.A N VAL 523.A O no hydrogen 3.001 N/A ARG 493.A NH1 ASP 457.A OD1 no hydrogen 2.806 N/A ARG 493.A NH1 ASP 457.A OD2 no hydrogen 3.251 N/A ARG 494.A NH1 GLU 518.A OE2 no hydrogen 3.041 N/A ARG 494.A NH1 THR 520.A OG1 no hydrogen 2.976 N/A ARG 494.A NH2 GLU 518.A OE2 no hydrogen 3.538 N/A ALA 495.A N LEU 521.A O no hydrogen 2.840 N/A VAL 496.A N ASP 457.A O no hydrogen 2.901 N/A MET 497.A N TYR 511.A OH no hydrogen 2.840 N/A LEU 498.A N PHE 459.A O no hydrogen 2.925 N/A ASP 499.A N GLY 506.A O no hydrogen 2.917 N/A ILE 500.A N PHE 463.A O no hydrogen 3.314 N/A THR 501.A N ASP 499.A OD1 no hydrogen 2.931 N/A THR 501.A OG1 ASP 499.A OD1 no hydrogen 2.635 N/A THR 501.A OG1 ASP 499.A OD2 no hydrogen 3.320 N/A ASP 505.A N ASP 503.A OD1 no hydrogen 2.828 N/A GLY 506.A N ASP 503.A O no hydrogen 3.211 N/A ILE 508.A N MET 497.A O no hydrogen 3.083 N/A TYR 511.A N GLU 518.A O no hydrogen 2.867 N/A TYR 511.A OH ILE 508.A O no hydrogen 2.809 N/A ASP 513.A N GLY 516.A O no hydrogen 2.900 N/A GLY 514.A N ASP 8.A O no hydrogen 2.467 N/A GLN 515.A N ASP 513.A OD1 no hydrogen 3.380 N/A GLN 515.A NE2 ASP 513.A OD1 no hydrogen 3.031 N/A GLN 515.A NE2 ILE 517.A O no hydrogen 3.622 N/A GLY 516.A N ASP 513.A O no hydrogen 3.077 N/A GLU 518.A N TYR 511.A O no hydrogen 3.043 N/A SER 519.A OG GLU 453.A OE2 no hydrogen 2.475 N/A LEU 521.A N ALA 495.A O no hydrogen 2.986 N/A VAL 523.A N ARG 493.A O no hydrogen 2.852 N/A ALA 525.A N ASP 492.A OD2 no hydrogen 3.146 N/A TRP 526.A NE1 VAL 350.A O no hydrogen 3.233 N/A GLU 530.A N ASN 527.A O no hydrogen 3.389 N/A TYR 532.A OH PRO 524.A O no hydrogen 2.787 N/A MET 534.A N SER 348.A O no hydrogen 2.791 N/A GLY 535.A N LEU 482.A O no hydrogen 2.782 N/A PHE 536.A N LEU 346.A O no hydrogen 2.924 N/A PHE 537.A N PRO 480.A O no hydrogen 2.788 N/A GLY 540.A N ALA 341.A O no hydrogen 2.878 N/A ASP 548.A N PHE 466.A O no hydrogen 2.875 N/A HIS 550.A NE2 ASP 503.A OD2 no hydrogen 2.743 N/A LEU 552.A N MET 549.A O no hydrogen 3.016 N/A PHE 553.A N HIS 550.A O no hydrogen 3.380 N/A GLY 554.A N THR 626.A OG1 no hydrogen 3.141 N/A ASP 555.A N ASP 578.A OD2 no hydrogen 3.139 N/A THR 556.A OG1 HIS 557.A O no hydrogen 3.125 N/A HIS 557.A N TYR 625.A OH no hydrogen 2.817 N/A SER 558.A N ASN 575.A O no hydrogen 2.856 N/A VAL 559.A N LEU 58.A O no hydrogen 2.964 N/A VAL 560.A N PHE 573.A O no hydrogen 3.080 N/A VAL 561.A N ARG 60.A O no hydrogen 2.953 N/A ASN 562.A N ASN 570.A O no hydrogen 2.873 N/A GLY 564.A N GLU 568.A O no hydrogen 3.108 N/A GLN 566.A N GLU 568.A OE1 no hydrogen 3.218 N/A GLY 567.A N GLY 564.A O no hydrogen 3.009 N/A GLU 568.A N GLU 568.A OE1 no hydrogen 2.775 N/A ASN 570.A N ASN 562.A O no hydrogen 2.896 N/A ASP 572.A N VAL 560.A O no hydrogen 2.767 N/A ASN 575.A N SER 558.A O no hydrogen 2.673 N/A GLY 577.A N HIS 557.A ND1 no hydrogen 2.937 N/A ASP 578.A N ASP 555.A O no hydrogen 3.056 N/A THR 579.A N ASP 582.A OD2 no hydrogen 2.688 N/A THR 579.A OG1 ASP 582.A OD2 no hydrogen 2.817 N/A VAL 580.A N GLY 624.A O no hydrogen 3.087 N/A GLU 581.A N LEU 622.A O no hydrogen 2.848 N/A ASP 582.A N THR 579.A OG1 no hydrogen 3.140 N/A MET 583.A N THR 579.A O no hydrogen 3.311 N/A MET 584.A N VAL 580.A O no hydrogen 2.793 N/A ARG 585.A N GLU 581.A O no hydrogen 2.991 N/A TYR 586.A N ASP 582.A O no hydrogen 2.846 N/A VAL 587.A N MET 583.A O no hydrogen 3.176 N/A HIS 588.A N ARG 585.A O no hydrogen 2.775 N/A ILE 589.A N MET 584.A O no hydrogen 2.980 N/A GLN 593.A N ASP 590.A OD1 no hydrogen 3.251 N/A GLN 593.A NE2 ASN 597.A OD1 no hydrogen 2.572 N/A ILE 594.A N ASP 590.A O no hydrogen 3.087 N/A ARG 595.A N VAL 591.A O no hydrogen 2.921 N/A ARG 595.A NH2 GLU 581.A OE2 no hydrogen 2.276 N/A ARG 595.A NH2 SER 623.A OG no hydrogen 3.205 N/A LYS 596.A N ASP 592.A O no hydrogen 3.306 N/A ASN 597.A N GLN 593.A O no hydrogen 2.921 N/A TYR 598.A N ILE 594.A O no hydrogen 2.982 N/A HIS 599.A N ARG 595.A O no hydrogen 3.263 N/A HIS 599.A N LYS 596.A O no hydrogen 3.110 N/A LEU 601.A N ASN 597.A O no hydrogen 3.146 N/A VAL 602.A N TYR 598.A O no hydrogen 3.157 N/A SER 603.A N HIS 599.A O no hydrogen 3.175 N/A SER 603.A OG HIS 599.A O no hydrogen 2.770 N/A SER 603.A OG SER 600.A O no hydrogen 2.768 N/A GLN 604.A N SER 600.A O no hydrogen 2.780 N/A ARG 605.A N LEU 601.A O no hydrogen 2.889 N/A VAL 606.A N VAL 602.A O no hydrogen 2.912 N/A GLU 609.A N GLU 609.A OE1 no hydrogen 2.462 N/A GLU 610.A N ASP 607.A O no hydrogen 2.965 N/A GLN 611.A N ASP 607.A O no hydrogen 3.200 N/A GLN 611.A NE2 VAL 602.A O no hydrogen 3.373 N/A GLN 611.A NE2 VAL 606.A O no hydrogen 2.798 N/A GLN 613.A NE2 GLU 617.A OE1 no hydrogen 2.560 N/A ILE 614.A N GLU 610.A O no hydrogen 2.983 N/A LEU 615.A N GLN 611.A O no hydrogen 2.971 N/A ALA 616.A N GLN 612.A O no hydrogen 2.833 N/A GLU 617.A N GLN 613.A O no hydrogen 3.049 N/A LEU 618.A N ILE 614.A O no hydrogen 3.113 N/A GLU 619.A N LEU 615.A O no hydrogen 2.932 N/A GLN 620.A N ALA 616.A O no hydrogen 2.719 N/A GLY 621.A N GLU 617.A O no hydrogen 2.949 N/A LEU 622.A N LEU 618.A O no hydrogen 3.119 N/A SER 623.A N GLU 619.A O no hydrogen 3.142 N/A SER 623.A OG GLU 619.A O no hydrogen 3.219 N/A GLY 624.A N GLY 621.A O no hydrogen 3.390 N/A TYR 625.A OH PRO 56.A O no hydrogen 2.579 N/A TYR 627.A OH GLY 554.A O no hydrogen 2.639 N/A LEU 628.A N ASN 462.A OD1 no hydrogen 2.916 N/A