Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kra_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A ND2 SER 1.A O no hydrogen 2.873 N/A ARG 5.A NH1 VAL 16.A O no hydrogen 3.139 N/A ARG 5.A NH2 VAL 16.A O no hydrogen 2.957 N/A GLN 6.A NE2 GLN 6.A O no hydrogen 2.617 N/A TYR 8.A N SER 4.A O no hydrogen 2.990 N/A TYR 8.A OH GLU 41.A OE2 no hydrogen 2.585 N/A ALA 9.A N ARG 5.A O no hydrogen 2.870 N/A ASP 10.A N GLN 6.A O no hydrogen 3.186 N/A MET 11.A N ALA 7.A O no hydrogen 3.280 N/A MET 11.A N TYR 8.A O no hydrogen 3.157 N/A PHE 12.A N TYR 8.A O no hydrogen 2.976 N/A GLY 13.A N ALA 9.A O no hydrogen 2.914 N/A THR 15.A N ASP 18.A OD2 no hydrogen 3.003 N/A THR 15.A OG1 ASP 34.A OD2 no hydrogen 2.736 N/A THR 15.A OG1 TYR 38.A OH no hydrogen 2.584 N/A VAL 16.A N THR 15.A OG1 no hydrogen 2.707 N/A GLY 17.A N VAL 31.A O no hydrogen 3.089 N/A ASP 18.A N THR 15.A O no hydrogen 2.959 N/A LYS 19.A NZ GLU 30.A OE1 no hydrogen 2.867 N/A VAL 20.A N ILE 29.A O no hydrogen 3.011 N/A ARG 21.A NE THR 25.A O no hydrogen 2.978 N/A LEU 22.A N LEU 27.A O no hydrogen 3.004 N/A ALA 23.A N PRO 436.A O no hydrogen 2.880 N/A THR 25.A N LEU 22.A O no hydrogen 3.115 N/A THR 25.A OG1 LEU 22.A O no hydrogen 2.614 N/A GLU 26.A N HIS 378.A ND1 no hydrogen 3.112 N/A LEU 27.A N THR 25.A OG1 no hydrogen 3.258 N/A TRP 28.A N ASP 395.A OD2 no hydrogen 3.258 N/A ILE 29.A N VAL 20.A O no hydrogen 3.019 N/A GLU 30.A N ASN 396.A OD1 no hydrogen 2.882 N/A VAL 31.A N ASP 18.A O no hydrogen 3.046 N/A GLU 32.A N ILE 80.A O no hydrogen 2.949 N/A ASP 34.A N ASP 33.A OD1 no hydrogen 3.043 N/A LEU 35.A N LYS 82.A O no hydrogen 2.963 N/A THR 36.A N ASP 34.A OD1 no hydrogen 3.262 N/A THR 37.A N THR 36.A OG1 no hydrogen 2.708 N/A TYR 38.A OH THR 15.A OG1 no hydrogen 2.584 N/A GLY 39.A N GLU 41.A OE1 no hydrogen 2.924 N/A GLY 39.A N GLU 41.A OE2 no hydrogen 3.285 N/A GLU 40.A N THR 37.A O no hydrogen 2.825 N/A GLU 41.A N GLU 41.A OE1 no hydrogen 2.761 N/A LYS 43.A NZ GLU 121.A OE2 no hydrogen 2.889 N/A LYS 48.A N GLY 45.A O no hydrogen 3.050 N/A VAL 49.A N LYS 43.A O no hydrogen 3.078 N/A ILE 50.A N LYS 43.A O no hydrogen 3.105 N/A ARG 51.A N VAL 49.A O no hydrogen 2.726 N/A ARG 51.A NE LYS 48.A O no hydrogen 2.975 N/A GLY 53.A N GLN 56.A O no hydrogen 3.081 N/A MET 54.A N ARG 51.A O no hydrogen 2.730 N/A GLY 55.A N VAL 49.A O no hydrogen 2.766 N/A GLY 57.A N ILE 111.A O no hydrogen 2.765 N/A GLN 58.A NE2 ASP 52.A OD1 no hydrogen 3.226 N/A ASP 63.A N LEU 60.A O no hydrogen 2.834 N/A CYS 64.A N ALA 61.A O no hydrogen 3.072 N/A CYS 64.A SG LEU 60.A O no hydrogen 3.473 N/A CYS 64.A SG ALA 61.A O no hydrogen 3.640 N/A VAL 65.A N PRO 110.A O no hydrogen 3.151 N/A ASP 66.A N VAL 87.A O no hydrogen 2.851 N/A LEU 67.A N VAL 87.A O no hydrogen 3.156 N/A VAL 68.A N GLU 116.A O no hydrogen 2.832 N/A LEU 69.A N ILE 85.A O no hydrogen 2.845 N/A THR 70.A N ILE 118.A O no hydrogen 3.053 N/A THR 70.A OG1 ILE 118.A O no hydrogen 3.489 N/A THR 70.A OG1 GLU 121.A OE1 no hydrogen 2.937 N/A ASN 71.A N ASP 84.A OD1 no hydrogen 2.836 N/A ASN 71.A ND2 VAL 42.A O no hydrogen 3.068 N/A ASN 71.A ND2 GLU 121.A OE1 no hydrogen 3.080 N/A ALA 72.A N ALA 83.A O no hydrogen 2.770 N/A LEU 73.A N LYS 123.A O no hydrogen 3.069 N/A ILE 74.A N VAL 81.A O no hydrogen 2.660 N/A VAL 75.A N VAL 125.A O no hydrogen 3.076 N/A ASP 76.A N GLY 79.A O no hydrogen 2.987 N/A HIS 77.A NE2 GLU 424.A OE2 no hydrogen 3.245 N/A GLY 79.A N ASP 76.A O no hydrogen 3.266 N/A ILE 80.A N GLU 32.A OE1 no hydrogen 3.178 N/A VAL 81.A N ILE 74.A O no hydrogen 3.058 N/A LYS 82.A N ASP 33.A O no hydrogen 2.854 N/A LYS 82.A NZ PHE 12.A O no hydrogen 2.710 N/A LYS 82.A NZ PRO 14.A O no hydrogen 3.289 N/A ALA 83.A N ALA 72.A O no hydrogen 2.841 N/A ASP 84.A N GLY 96.A O no hydrogen 2.902 N/A ILE 85.A N LEU 69.A O no hydrogen 2.924 N/A GLY 86.A N ALA 94.A O no hydrogen 2.889 N/A VAL 87.A N LEU 67.A O no hydrogen 2.901 N/A LYS 88.A N ARG 91.A O no hydrogen 2.982 N/A LYS 88.A NZ ALA 62.A O no hydrogen 2.488 N/A ASP 89.A N ASP 66.A OD2 no hydrogen 2.940 N/A ARG 91.A N LYS 88.A O no hydrogen 3.217 N/A ARG 91.A NH1 GLU 419.A OE1 no hydrogen 2.796 N/A ARG 91.A NH1 GLY 426.A O no hydrogen 3.218 N/A ARG 91.A NH2 GLU 419.A OE1 no hydrogen 2.743 N/A ILE 92.A N LYS 427.A O no hydrogen 2.812 N/A PHE 93.A N GLY 86.A O no hydrogen 2.824 N/A ALA 94.A N GLY 86.A O no hydrogen 3.245 N/A GLY 96.A N ASP 84.A O no hydrogen 2.937 N/A LYS 97.A N THR 108.A OG1 no hydrogen 3.245 N/A LYS 97.A NZ GLU 40.A O no hydrogen 2.492 N/A LYS 97.A NZ ALA 98.A O no hydrogen 3.266 N/A ALA 98.A N ASP 84.A OD2 no hydrogen 2.876 N/A GLY 99.A N ILE 109.A O no hydrogen 3.121 N/A ASN 100.A N GLN 104.A OE1 no hydrogen 2.899 N/A ASN 100.A ND2 MET 54.A O no hydrogen 2.976 N/A ASP 102.A N ASN 100.A OD1 no hydrogen 2.950 N/A ILE 103.A N ASN 100.A O no hydrogen 3.166 N/A GLN 104.A N ASN 100.A O no hydrogen 2.820 N/A GLN 104.A NE2 GLU 40.A OE1 no hydrogen 3.059 N/A THR 108.A N LYS 97.A O no hydrogen 2.721 N/A ILE 109.A N LYS 97.A O no hydrogen 3.050 N/A ILE 111.A N GLY 99.A O no hydrogen 3.231 N/A GLY 112.A N THR 115.A OG1 no hydrogen 2.854 N/A THR 115.A N GLY 112.A O no hydrogen 2.982 N/A THR 115.A OG1 VAL 65.A O no hydrogen 2.687 N/A GLU 116.A N ASP 66.A O no hydrogen 2.688 N/A VAL 117.A N GLU 116.A OE1 no hydrogen 2.953 N/A ILE 118.A N VAL 68.A O no hydrogen 2.943 N/A ALA 120.A N THR 70.A O no hydrogen 2.951 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 3.049 N/A LYS 123.A N ALA 120.A O no hydrogen 2.898 N/A ILE 124.A N TRP 434.A O no hydrogen 2.982 N/A VAL 125.A N LEU 73.A O no hydrogen 2.819 N/A THR 126.A N VAL 432.A O no hydrogen 2.999 N/A THR 126.A OG1 ALA 127.A O no hydrogen 3.259 N/A GLY 128.A N ASP 430.A O no hydrogen 2.902 N/A GLY 129.A N GLY 149.A O no hydrogen 2.775 N/A ILE 130.A N TYR 406.A O no hydrogen 2.733 N/A ASP 131.A N THR 152.A O no hydrogen 3.023 N/A HIS 133.A N ASP 131.A OD1 no hydrogen 3.297 N/A ILE 134.A N VAL 154.A O no hydrogen 3.004 N/A HIS 135.A N SER 360.A OG no hydrogen 2.810 N/A HIS 135.A ND1 THR 164.A O no hydrogen 2.755 N/A TRP 136.A N GLY 156.A O no hydrogen 2.974 N/A ILE 137.A N HIS 135.A O no hydrogen 2.827 N/A GLN 141.A N CYS 138.A O no hydrogen 3.390 N/A GLN 141.A NE2 HIS 135.A O no hydrogen 2.940 N/A ALA 142.A N PRO 139.A O no hydrogen 3.209 N/A GLU 144.A N GLN 140.A O no hydrogen 3.463 N/A ALA 145.A N GLN 141.A O no hydrogen 3.003 N/A LEU 146.A N ALA 142.A O no hydrogen 2.920 N/A VAL 147.A N GLU 143.A O no hydrogen 2.892 N/A SER 148.A N GLU 144.A O no hydrogen 3.309 N/A SER 148.A N ALA 145.A O no hydrogen 3.190 N/A SER 148.A OG ALA 145.A O no hydrogen 2.886 N/A GLY 149.A N LEU 146.A O no hydrogen 3.106 N/A VAL 150.A N ALA 145.A O no hydrogen 3.038 N/A THR 151.A N GLY 129.A O no hydrogen 2.767 N/A THR 152.A N GLY 129.A O no hydrogen 3.206 N/A MET 153.A N ASN 189.A O no hydrogen 2.816 N/A VAL 154.A N ASP 131.A O no hydrogen 2.798 N/A GLY 155.A N GLY 191.A O no hydrogen 3.412 N/A GLY 156.A N ILE 134.A O no hydrogen 3.029 N/A GLY 157.A N THR 170.A OG1 no hydrogen 2.921 N/A THR 158.A N THR 164.A OG1 no hydrogen 2.939 N/A ALA 161.A N GLY 159.A O no hydrogen 2.794 N/A HIS 165.A N ALA 161.A O no hydrogen 2.958 N/A ALA 166.A N ALA 162.A O no hydrogen 3.222 N/A THR 167.A N GLY 163.A O no hydrogen 2.822 N/A THR 167.A OG1 GLY 163.A O no hydrogen 2.707 N/A CYS 169.A SG THR 167.A OG1 no hydrogen 3.471 N/A CYS 169.A SG LYS 216.A O no hydrogen 3.860 N/A THR 170.A N LEU 193.A O no hydrogen 2.918 N/A THR 170.A OG1 LEU 193.A O no hydrogen 3.199 N/A ILE 176.A N GLY 172.A O no hydrogen 2.782 N/A SER 177.A N PRO 173.A O no hydrogen 2.813 N/A SER 177.A OG PRO 173.A O no hydrogen 2.496 N/A ARG 178.A N TRP 174.A O no hydrogen 2.960 N/A ARG 178.A NE GLN 181.A OE1 no hydrogen 3.367 N/A ARG 178.A NH2 GLN 181.A OE1 no hydrogen 3.050 N/A MET 179.A N TYR 175.A O no hydrogen 2.889 N/A LEU 180.A N ILE 176.A O no hydrogen 2.897 N/A GLN 181.A N SER 177.A O no hydrogen 3.110 N/A GLN 181.A NE2 LEU 504.A O no hydrogen 2.884 N/A ALA 182.A N ARG 178.A O no hydrogen 2.963 N/A ALA 183.A N MET 179.A O no hydrogen 2.900 N/A ASP 184.A N GLN 181.A O no hydrogen 3.339 N/A SER 185.A N ALA 182.A O no hydrogen 3.019 N/A LEU 186.A N ALA 183.A O no hydrogen 2.972 N/A ASN 189.A N THR 151.A O no hydrogen 2.979 N/A ASN 189.A ND2 THR 152.A OG1 no hydrogen 2.775 N/A ASN 189.A ND2 ASP 430.A OD2 no hydrogen 2.750 N/A ILE 190.A N LEU 488.A O no hydrogen 3.099 N/A LEU 193.A N GLY 155.A O no hydrogen 2.984 N/A GLY 194.A N GLY 214.A O no hydrogen 2.974 N/A LYS 195.A N GLN 207.A OE1 no hydrogen 3.038 N/A GLY 196.A N LYS 216.A O no hydrogen 2.929 N/A ASN 197.A ND2 HIS 218.A O no hydrogen 2.900 N/A ASN 197.A ND2 GLY 222.A O no hydrogen 2.975 N/A VAL 198.A N GLY 196.A O no hydrogen 3.042 N/A ALA 203.A N GLN 200.A O no hydrogen 3.145 N/A LEU 204.A N PRO 201.A O no hydrogen 2.928 N/A ARG 205.A N PRO 201.A O no hydrogen 2.963 N/A ARG 205.A NE GLU 237.A OE1 no hydrogen 3.195 N/A ARG 205.A NH1 ASP 202.A OD1 no hydrogen 2.896 N/A ARG 205.A NH2 GLU 237.A OE1 no hydrogen 3.532 N/A ARG 205.A NH2 GLU 237.A OE2 no hydrogen 3.014 N/A GLU 206.A N ASP 202.A O no hydrogen 3.236 N/A GLN 207.A NE2 LYS 195.A O no hydrogen 2.903 N/A GLN 207.A NE2 ALA 203.A O no hydrogen 3.105 N/A VAL 208.A N LEU 204.A O no hydrogen 3.054 N/A ALA 209.A N ARG 205.A O no hydrogen 2.795 N/A ALA 210.A N GLU 206.A O no hydrogen 2.683 N/A ALA 210.A N GLN 207.A O no hydrogen 3.227 N/A GLY 211.A N VAL 208.A O no hydrogen 3.143 N/A VAL 212.A N GLN 207.A O no hydrogen 3.292 N/A ILE 213.A N LEU 192.A O no hydrogen 2.790 N/A LEU 215.A N GLN 241.A O no hydrogen 2.847 N/A LYS 216.A N GLY 194.A O no hydrogen 2.915 N/A LYS 216.A NZ THR 168.A OG1 no hydrogen 2.982 N/A ILE 217.A N ALA 243.A O no hydrogen 2.879 N/A HIS 218.A N ASN 197.A OD1 no hydrogen 3.105 N/A GLU 219.A N HIS 245.A O no hydrogen 3.200 N/A ASP 220.A N HIS 218.A ND1 no hydrogen 3.119 N/A TRP 221.A N HIS 218.A O no hydrogen 2.822 N/A TRP 221.A NE1 THR 167.A OG1 no hydrogen 2.848 N/A GLY 222.A N GLU 219.A O no hydrogen 2.867 N/A ALA 227.A N THR 224.A OG1 no hydrogen 3.394 N/A ILE 228.A N THR 224.A O no hydrogen 2.840 N/A ASP 229.A N PRO 225.A O no hydrogen 2.936 N/A CYS 230.A N ALA 226.A O no hydrogen 3.016 N/A ALA 231.A N ALA 227.A O no hydrogen 3.041 N/A LEU 232.A N ILE 228.A O no hydrogen 3.073 N/A THR 233.A N ASP 229.A O no hydrogen 3.094 N/A THR 233.A OG1 ASP 229.A O no hydrogen 2.913 N/A VAL 234.A N CYS 230.A O no hydrogen 3.151 N/A ALA 235.A N ALA 231.A O no hydrogen 2.838 N/A ASP 236.A N LEU 232.A O no hydrogen 2.909 N/A GLU 237.A N THR 233.A O no hydrogen 3.292 N/A MET 238.A N VAL 234.A O no hydrogen 2.911 N/A ASP 239.A N ALA 235.A O no hydrogen 2.844 N/A ILE 240.A N ALA 235.A O no hydrogen 3.463 N/A GLN 241.A N ILE 213.A O no hydrogen 3.351 N/A GLN 241.A NE2 THR 413.A O no hydrogen 2.830 N/A GLN 241.A NE2 CYS 516.A O no hydrogen 3.005 N/A VAL 242.A N GLN 241.A OE1 no hydrogen 2.945 N/A ALA 243.A N LEU 215.A O no hydrogen 3.038 N/A LEU 244.A N HIS 268.A O no hydrogen 2.889 N/A HIS 245.A N ILE 217.A O no hydrogen 2.846 N/A HIS 245.A NE2 GLU 219.A OE2 no hydrogen 3.047 N/A THR 248.A N GLU 219.A OE1 no hydrogen 3.106 N/A THR 248.A OG1 GLU 219.A OE1 no hydrogen 3.402 N/A THR 248.A OG1 GLU 219.A OE2 no hydrogen 2.630 N/A THR 248.A OG1 GLY 278.A O no hydrogen 3.266 N/A ASN 250.A N ASP 247.A O no hydrogen 3.241 N/A ASN 250.A ND2 ALA 280.A O no hydrogen 3.016 N/A SER 252.A N ASP 247.A OD2 no hydrogen 2.897 N/A SER 252.A OG ASP 247.A OD2 no hydrogen 3.131 N/A PHE 254.A N ASP 257.A OD2 no hydrogen 2.919 N/A GLU 256.A N GLU 256.A OE1 no hydrogen 3.004 N/A ASP 257.A N PHE 254.A O no hydrogen 2.956 N/A THR 258.A N PHE 254.A O no hydrogen 3.146 N/A THR 258.A OG1 HIS 279.A NE2 no hydrogen 2.664 N/A LEU 259.A N VAL 255.A O no hydrogen 2.798 N/A ALA 260.A N GLU 256.A O no hydrogen 3.059 N/A ALA 261.A N ASP 257.A O no hydrogen 2.839 N/A ILE 262.A N THR 258.A O no hydrogen 2.954 N/A GLY 263.A N ALA 260.A O no hydrogen 3.083 N/A ARG 265.A N ILE 262.A O no hydrogen 3.089 N/A ARG 265.A NE ILE 262.A O no hydrogen 3.058 N/A ARG 265.A NH1 ASP 229.A OD1 no hydrogen 3.204 N/A ARG 265.A NH2 ASP 229.A OD1 no hydrogen 3.017 N/A ARG 265.A NH2 ALA 261.A O no hydrogen 2.832 N/A THR 266.A OG1 ARG 517.A O no hydrogen 2.721 N/A THR 266.A OG1 VAL 519.A O no hydrogen 3.028 N/A ILE 267.A N ASN 291.A O no hydrogen 3.031 N/A HIS 268.A N VAL 242.A O no hydrogen 2.953 N/A HIS 268.A ND1 HIS 414.A NE2 no hydrogen 3.259 N/A HIS 268.A NE2 SER 295.A OG no hydrogen 2.790 N/A THR 269.A N LEU 293.A O no hydrogen 3.048 N/A THR 269.A OG1 THR 272.A OG1 no hydrogen 2.924 N/A PHE 270.A N LEU 244.A O no hydrogen 2.892 N/A HIS 271.A ND1 GLY 277.A O no hydrogen 2.909 N/A THR 272.A N SER 295.A O no hydrogen 3.047 N/A THR 272.A OG1 THR 269.A O no hydrogen 3.081 N/A THR 272.A OG1 THR 269.A OG1 no hydrogen 2.924 N/A THR 272.A OG1 SER 295.A O no hydrogen 3.570 N/A GLY 274.A N HIS 271.A O no hydrogen 2.785 N/A ALA 275.A N GLU 273.A OE1 no hydrogen 3.036 N/A GLY 277.A N GLY 274.A O no hydrogen 2.898 N/A GLY 278.A N THR 248.A OG1 no hydrogen 3.169 N/A HIS 279.A N SER 246.A OG no hydrogen 3.195 N/A HIS 279.A ND1 ASN 250.A OD1 no hydrogen 2.870 N/A HIS 279.A NE2 THR 258.A OG1 no hydrogen 2.664 N/A THR 285.A N ASP 282.A O no hydrogen 3.194 N/A THR 285.A OG1 ASP 282.A O no hydrogen 2.817 N/A ALA 286.A N ILE 283.A O no hydrogen 3.277 N/A CYS 287.A N ILE 284.A O no hydrogen 3.360 N/A CYS 287.A SG ILE 284.A O no hydrogen 3.402 N/A ALA 288.A N THR 285.A O no hydrogen 3.287 N/A HIS 289.A N ALA 286.A O no hydrogen 2.973 N/A ASN 291.A ND2 ARG 265.A O no hydrogen 2.800 N/A ILE 292.A N HIS 289.A O no hydrogen 3.381 N/A LEU 293.A N ILE 267.A O no hydrogen 3.000 N/A SER 295.A N THR 269.A O no hydrogen 3.238 N/A SER 295.A OG HIS 268.A NE2 no hydrogen 2.790 N/A SER 295.A OG THR 269.A O no hydrogen 3.349 N/A SER 296.A N LEU 355.A O no hydrogen 2.842 N/A SER 296.A OG GLU 344.A OE2 no hydrogen 2.827 N/A ASN 298.A ND2 ARG 365.A O no hydrogen 2.789 N/A THR 300.A OG1 GLU 344.A OE1 no hydrogen 2.951 N/A LEU 301.A N ASN 298.A O no hydrogen 2.945 N/A TYR 303.A N ASP 345.A OD2 no hydrogen 2.739 N/A THR 304.A N THR 307.A OG1 no hydrogen 3.218 N/A THR 304.A OG1 THR 307.A OG1 no hydrogen 3.168 N/A LEU 305.A N ALA 554.A O no hydrogen 2.776 N/A THR 307.A OG1 THR 304.A O no hydrogen 3.496 N/A THR 307.A OG1 THR 304.A OG1 no hydrogen 3.168 N/A GLU 310.A N ASN 306.A O no hydrogen 3.221 N/A HIS 311.A N ILE 308.A O no hydrogen 3.199 N/A HIS 311.A ND1 THR 307.A O no hydrogen 2.908 N/A LEU 315.A N HIS 311.A O no hydrogen 3.079 N/A MET 316.A N LEU 312.A O no hydrogen 3.187 N/A VAL 317.A N ASP 313.A O no hydrogen 3.176 N/A CYS 318.A N MET 314.A O no hydrogen 3.333 N/A CYS 318.A SG HIS 165.A O no hydrogen 3.679 N/A HIS 319.A N LEU 315.A O no hydrogen 3.510 N/A HIS 319.A ND1 ASP 220.A OD2 no hydrogen 3.166 N/A HIS 320.A NE2 ALA 162.A O no hydrogen 2.865 N/A LEU 321.A N MET 316.A O no hydrogen 3.055 N/A ASP 322.A N ASP 328.A OD2 no hydrogen 2.933 N/A ASP 324.A N ASP 322.A OD1 no hydrogen 3.032 N/A ASP 328.A N ILE 325.A O no hydrogen 2.978 N/A VAL 329.A N ILE 325.A O no hydrogen 3.237 N/A VAL 329.A N ALA 326.A O no hydrogen 2.909 N/A ALA 330.A N ALA 326.A O no hydrogen 2.894 N/A PHE 331.A N GLU 327.A O no hydrogen 3.211 N/A ALA 332.A N ASP 328.A O no hydrogen 3.190 N/A GLU 333.A N VAL 329.A O no hydrogen 2.868 N/A SER 334.A N ALA 330.A O no hydrogen 2.938 N/A SER 334.A OG PHE 331.A O no hydrogen 2.843 N/A ARG 335.A NE ALA 275.A O no hydrogen 3.229 N/A ARG 335.A NH2 HIS 319.A NE2 no hydrogen 2.787 N/A ILE 336.A N GLU 333.A O no hydrogen 3.200 N/A ARG 337.A NE THR 340.A OG1 no hydrogen 3.096 N/A ARG 337.A NH1 SER 334.A O no hydrogen 3.171 N/A ARG 337.A NH2 GLU 273.A OE2 no hydrogen 3.306 N/A ARG 338.A NH1 TYR 303.A OH no hydrogen 2.889 N/A GLU 339.A N GLU 339.A OE1 no hydrogen 2.877 N/A THR 340.A OG1 GLU 273.A OE2 no hydrogen 2.563 N/A THR 340.A OG1 ARG 337.A O no hydrogen 3.047 N/A ILE 341.A N ARG 337.A O no hydrogen 2.984 N/A ALA 342.A N ARG 338.A O no hydrogen 2.946 N/A ALA 343.A N GLU 339.A O no hydrogen 3.025 N/A GLU 344.A N THR 340.A O no hydrogen 2.937 N/A LEU 347.A N ALA 343.A O no hydrogen 3.000 N/A HIS 348.A N GLU 344.A O no hydrogen 3.031 N/A HIS 348.A NE2 LEU 355.A O no hydrogen 3.230 N/A ASP 349.A N ASP 345.A O no hydrogen 3.244 N/A LEU 350.A N VAL 346.A O no hydrogen 2.813 N/A GLY 351.A N HIS 348.A O no hydrogen 2.964 N/A ALA 352.A N LEU 347.A O no hydrogen 2.742 N/A PHE 353.A N LEU 347.A O no hydrogen 3.345 N/A SER 354.A N PRO 294.A O no hydrogen 3.050 N/A SER 354.A OG ASN 527.A O no hydrogen 2.804 N/A LEU 355.A N PRO 294.A O no hydrogen 3.108 N/A THR 356.A N LYS 405.A O no hydrogen 3.355 N/A THR 356.A OG1 THR 373.A OG1 no hydrogen 3.112 N/A SER 357.A N SER 296.A O no hydrogen 2.871 N/A SER 357.A OG SER 296.A O no hydrogen 3.063 N/A SER 358.A N ASP 131.A OD1 no hydrogen 2.971 N/A SER 358.A N ASP 131.A OD2 no hydrogen 3.262 N/A SER 358.A OG ASP 131.A OD1 no hydrogen 3.521 N/A SER 358.A OG ASP 131.A OD2 no hydrogen 2.627 N/A SER 360.A N SER 358.A OG no hydrogen 3.027 N/A SER 360.A OG HIS 135.A O no hydrogen 3.559 N/A GLN 361.A NE2 GLN 141.A OE1 no hydrogen 2.684 N/A ALA 362.A N ASP 359.A O no hydrogen 3.006 N/A ARG 365.A N ASN 298.A OD1 no hydrogen 2.890 N/A ARG 365.A NH2 GLU 310.A OE2 no hydrogen 2.628 N/A GLU 368.A N ARG 365.A O no hydrogen 3.025 N/A ARG 372.A N GLU 368.A O no hydrogen 3.125 N/A ARG 372.A NE GLU 368.A OE1 no hydrogen 2.809 N/A ARG 372.A NH1 ASN 298.A O no hydrogen 3.327 N/A ARG 372.A NH1 LEU 301.A O no hydrogen 3.079 N/A ARG 372.A NH2 GLU 368.A OE1 no hydrogen 3.209 N/A THR 373.A N VAL 369.A O no hydrogen 3.374 N/A THR 373.A OG1 THR 356.A OG1 no hydrogen 3.112 N/A THR 373.A OG1 VAL 369.A O no hydrogen 2.660 N/A TRP 374.A N ILE 370.A O no hydrogen 3.214 N/A TRP 374.A NE1 TYR 406.A OH no hydrogen 3.040 N/A GLN 375.A N LEU 371.A O no hydrogen 3.189 N/A GLN 375.A NE2 PRO 558.A O no hydrogen 2.896 N/A VAL 376.A N ARG 372.A O no hydrogen 3.039 N/A ALA 377.A N THR 373.A O no hydrogen 3.127 N/A HIS 378.A N TRP 374.A O no hydrogen 2.881 N/A ARG 379.A N GLN 375.A O no hydrogen 2.999 N/A ARG 379.A NH2 GLU 552.A O no hydrogen 3.160 N/A MET 380.A N VAL 376.A O no hydrogen 2.837 N/A LYS 381.A N ALA 377.A O no hydrogen 2.994 N/A LYS 381.A NZ GLU 26.A O no hydrogen 2.871 N/A LYS 381.A NZ ASP 395.A OD2 no hydrogen 2.769 N/A VAL 382.A N HIS 378.A O no hydrogen 2.956 N/A GLN 383.A N ARG 379.A O no hydrogen 3.074 N/A GLN 383.A NE2 ARG 379.A O no hydrogen 2.947 N/A ARG 384.A N MET 380.A O no hydrogen 2.803 N/A ARG 384.A NE ASP 349.A OD2 no hydrogen 3.190 N/A GLY 385.A N LYS 381.A O no hydrogen 2.879 N/A GLU 389.A N GLU 389.A OE1 no hydrogen 2.663 N/A GLU 390.A N LEU 387.A O no hydrogen 3.210 N/A ASN 394.A ND2 THR 391.A O no hydrogen 3.240 N/A ASP 395.A N TRP 28.A O no hydrogen 2.939 N/A ASN 396.A ND2 GLU 30.A O no hydrogen 2.890 N/A ASN 396.A ND2 GLU 32.A OE2 no hydrogen 3.161 N/A PHE 397.A N GLU 390.A OE1 no hydrogen 3.209 N/A ARG 398.A N GLU 390.A OE2 no hydrogen 2.757 N/A ARG 398.A NE ASP 349.A OD1 no hydrogen 2.932 N/A ARG 398.A NH1 GLY 385.A O no hydrogen 2.961 N/A ARG 398.A NH2 ASP 349.A OD2 no hydrogen 2.826 N/A ARG 398.A NH2 GLY 385.A O no hydrogen 2.695 N/A VAL 399.A N ASP 395.A O no hydrogen 2.974 N/A LYS 400.A N ASN 396.A O no hydrogen 2.971 N/A LYS 400.A NZ GLU 32.A OE1 no hydrogen 3.199 N/A LYS 400.A NZ GLU 32.A OE2 no hydrogen 2.902 N/A ARG 401.A N PHE 397.A O no hydrogen 2.890 N/A ARG 401.A NE HIS 526.A O no hydrogen 2.803 N/A ARG 401.A NH1 ASP 349.A O no hydrogen 2.803 N/A ARG 401.A NH2 GLU 389.A OE2 no hydrogen 3.024 N/A ARG 401.A NH2 HIS 526.A O no hydrogen 3.329 N/A TYR 402.A N ARG 398.A O no hydrogen 2.995 N/A TYR 402.A OH ASP 349.A OD1 no hydrogen 2.870 N/A ILE 403.A N VAL 399.A O no hydrogen 2.780 N/A ALA 404.A N LYS 400.A O no hydrogen 3.257 N/A LYS 405.A N TYR 402.A O no hydrogen 3.320 N/A LYS 405.A NZ HIS 348.A O no hydrogen 2.972 N/A LYS 405.A NZ PHE 353.A O no hydrogen 2.811 N/A LYS 405.A NZ ASN 527.A OD1 no hydrogen 2.497 N/A TYR 406.A N ILE 403.A O no hydrogen 3.172 N/A THR 407.A N ALA 404.A O no hydrogen 3.439 N/A THR 407.A OG1 ILE 403.A O no hydrogen 2.872 N/A ASN 409.A N ALA 404.A O no hydrogen 2.997 N/A ASN 409.A ND2 SER 354.A O no hydrogen 3.218 N/A ASN 409.A ND2 VAL 525.A O no hydrogen 3.318 N/A ALA 411.A N THR 407.A O no hydrogen 3.376 N/A LEU 412.A N ILE 408.A O no hydrogen 2.905 N/A THR 413.A N ASN 409.A O no hydrogen 2.992 N/A THR 413.A OG1 ASN 409.A O no hydrogen 2.752 N/A HIS 414.A N PRO 410.A O no hydrogen 3.221 N/A HIS 414.A NE2 HIS 268.A ND1 no hydrogen 3.259 N/A GLY 415.A N LEU 412.A O no hydrogen 3.174 N/A ILE 416.A N ALA 411.A O no hydrogen 2.987 N/A GLU 419.A N ILE 416.A O no hydrogen 2.901 N/A VAL 420.A N ILE 416.A O no hydrogen 3.098 N/A SER 422.A OG GLU 424.A OE2 no hydrogen 2.577 N/A ILE 423.A N ASP 76.A OD2 no hydrogen 2.990 N/A GLY 426.A N ILE 92.A O no hydrogen 2.749 N/A LYS 427.A N GLU 424.A O no hydrogen 3.270 N/A LYS 427.A NZ VAL 420.A O no hydrogen 3.313 N/A LYS 427.A NZ SER 422.A OG no hydrogen 2.797 N/A LEU 428.A N GLU 419.A O no hydrogen 2.846 N/A ALA 429.A N GLY 90.A O no hydrogen 2.751 N/A ASP 430.A N LEU 428.A O no hydrogen 2.784 N/A LEU 431.A N ILE 447.A O no hydrogen 3.051 N/A VAL 432.A N THR 126.A O no hydrogen 2.876 N/A VAL 433.A N THR 445.A O no hydrogen 2.833 N/A TRP 434.A N ILE 124.A O no hydrogen 2.923 N/A TRP 434.A NE1 THR 126.A OG1 no hydrogen 2.982 N/A PHE 438.A N SER 435.A O no hydrogen 2.964 N/A PHE 439.A N PRO 436.A O no hydrogen 3.440 N/A VAL 441.A N PHE 438.A O no hydrogen 2.906 N/A LYS 442.A N PHE 438.A O no hydrogen 3.281 N/A LYS 442.A NZ TYR 563.A O no hydrogen 2.780 N/A ALA 444.A N VAL 433.A O no hydrogen 2.654 N/A THR 445.A N VAL 433.A O no hydrogen 3.236 N/A VAL 446.A N ILE 454.A O no hydrogen 3.143 N/A ILE 447.A N LEU 431.A O no hydrogen 2.773 N/A LYS 448.A N MET 451.A O no hydrogen 2.721 N/A LYS 448.A NZ ASN 189.A OD1 no hydrogen 3.108 N/A LYS 448.A NZ ASP 430.A OD1 no hydrogen 2.956 N/A LYS 448.A NZ CYS 486.A O no hydrogen 2.700 N/A GLY 449.A N ASP 430.A OD1 no hydrogen 3.036 N/A GLY 450.A N ALA 429.A O no hydrogen 3.282 N/A MET 451.A N LYS 448.A O no hydrogen 2.973 N/A ALA 453.A N VAL 446.A O no hydrogen 2.858 N/A ILE 454.A N VAL 446.A O no hydrogen 3.511 N/A ALA 455.A N ARG 473.A O no hydrogen 3.510 N/A MET 457.A N HIS 471.A O no hydrogen 3.037 N/A GLY 458.A N PRO 465.A O no hydrogen 3.036 N/A ASP 459.A N PRO 467.A O no hydrogen 2.942 N/A ASN 461.A N ASP 459.A OD1 no hydrogen 3.056 N/A ALA 462.A N ASP 459.A O no hydrogen 3.234 N/A HIS 471.A N MET 457.A O no hydrogen 3.307 N/A TYR 472.A OH PRO 443.A O no hydrogen 2.805 N/A ARG 473.A N ALA 455.A O no hydrogen 3.142 N/A ARG 473.A NE MET 457.A O no hydrogen 2.825 N/A ARG 473.A NH2 MET 457.A O no hydrogen 2.765 N/A MET 475.A N ALA 453.A O no hydrogen 2.776 N/A GLY 477.A N ILE 452.A O no hydrogen 3.020 N/A ALA 478.A N MET 475.A O no hydrogen 2.906 N/A LEU 479.A N PHE 476.A O no hydrogen 2.969 N/A ARG 483.A N LEU 479.A O no hydrogen 2.997 N/A ARG 483.A N GLY 480.A O no hydrogen 3.284 N/A ARG 483.A NE ALA 478.A O no hydrogen 3.335 N/A ARG 483.A NH1 ASP 184.A O no hydrogen 2.788 N/A ARG 483.A NH2 ALA 478.A O no hydrogen 3.399 N/A HIS 484.A N GLY 480.A O no hydrogen 3.381 N/A HIS 485.A N SER 481.A O no hydrogen 3.197 N/A CYS 486.A N ARG 483.A O no hydrogen 2.846 N/A CYS 486.A SG GLY 449.A O no hydrogen 3.864 N/A CYS 486.A SG ALA 482.A O no hydrogen 3.256 N/A ARG 487.A N HIS 484.A O no hydrogen 3.416 N/A ARG 487.A NE LEU 186.A O no hydrogen 2.927 N/A ARG 487.A NE VAL 188.A O no hydrogen 3.043 N/A ARG 487.A NH1 THR 489.A OG1 no hydrogen 2.781 N/A ARG 487.A NH2 VAL 188.A O no hydrogen 2.958 N/A LEU 488.A N ASN 189.A OD1 no hydrogen 3.154 N/A THR 489.A N ALA 509.A O no hydrogen 2.963 N/A PHE 490.A N ILE 190.A O no hydrogen 2.892 N/A LEU 491.A N ALA 511.A O no hydrogen 2.799 N/A SER 492.A OG VAL 208.A O no hydrogen 2.651 N/A GLN 493.A NE2 ASP 239.A OD2 no hydrogen 2.918 N/A GLN 493.A NE2 VAL 513.A O no hydrogen 2.811 N/A ALA 495.A N SER 492.A OG no hydrogen 3.312 N/A ALA 496.A N SER 492.A O no hydrogen 2.870 N/A ALA 497.A N GLN 493.A O no hydrogen 3.078 N/A ASN 498.A N ALA 494.A O no hydrogen 2.857 N/A VAL 500.A N ALA 495.A O no hydrogen 3.184 N/A ARG 503.A N GLY 499.A O no hydrogen 2.959 N/A LEU 504.A N VAL 500.A O no hydrogen 2.909 N/A ASN 505.A N GLU 502.A O no hydrogen 3.312 N/A LEU 506.A N ALA 501.A O no hydrogen 2.998 N/A ARG 507.A N ASP 184.A OD2 no hydrogen 2.786 N/A SER 508.A N ASP 184.A OD1 no hydrogen 3.229 N/A SER 508.A OG ASP 184.A OD1 no hydrogen 2.606 N/A ALA 509.A N HIS 484.A O no hydrogen 3.307 N/A ALA 509.A N ARG 487.A O no hydrogen 3.189 N/A ALA 511.A N THR 489.A O no hydrogen 3.140 N/A VAL 513.A N LEU 491.A O no hydrogen 3.023 N/A LYS 514.A N GLY 415.A O no hydrogen 3.127 N/A GLY 515.A N ASP 239.A OD1 no hydrogen 3.072 N/A GLY 515.A N ASP 239.A OD2 no hydrogen 3.142 N/A CYS 516.A N ASP 239.A OD1 no hydrogen 2.990 N/A CYS 516.A SG ASP 239.A O no hydrogen 3.803 N/A ARG 517.A NH1 ASP 236.A OD1 no hydrogen 3.098 N/A ARG 517.A NH1 THR 266.A O no hydrogen 3.468 N/A ARG 517.A NH2 THR 266.A O no hydrogen 2.865 N/A GLN 520.A N ASP 523.A OD2 no hydrogen 3.017 N/A LYS 521.A N PRO 290.A O no hydrogen 2.756 N/A LYS 521.A NZ ALA 352.A O no hydrogen 2.991 N/A LYS 521.A NZ LEU 529.A O no hydrogen 2.758 N/A ASP 523.A N GLN 520.A O no hydrogen 3.093 N/A MET 524.A N LYS 521.A O no hydrogen 3.159 N/A HIS 526.A NE2 HIS 77.A O no hydrogen 2.783 N/A ASN 527.A N MET 524.A O no hydrogen 2.953 N/A ASN 527.A ND2 ARG 401.A O no hydrogen 3.014 N/A ASN 527.A ND2 VAL 525.A O no hydrogen 2.849 N/A LEU 529.A N GLY 351.A O no hydrogen 3.083 N/A GLN 530.A NE2 ALA 288.A O no hydrogen 3.508 N/A THR 534.A N ARG 543.A O no hydrogen 2.642 N/A THR 534.A OG1 ARG 543.A O no hydrogen 3.256 N/A ASP 536.A N GLU 541.A O no hydrogen 2.887 N/A TYR 540.A N ASP 536.A O no hydrogen 2.846 N/A ARG 543.A N THR 534.A O no hydrogen 2.772 N/A ARG 543.A NH1 GLY 546.A O no hydrogen 2.871 N/A ARG 543.A NH2 GLU 541.A OE1 no hydrogen 3.539 N/A VAL 544.A N GLU 547.A O no hydrogen 3.037 N/A ASP 545.A N ASN 532.A O no hydrogen 2.838 N/A ILE 549.A N VAL 542.A O no hydrogen 3.332 N/A SER 551.A OG ALA 342.A O no hydrogen 3.304 N/A GLU 552.A N GLN 383.A OE1 no hydrogen 2.737 N/A ALA 554.A N TYR 303.A O no hydrogen 2.853 N/A MET 559.A N ASP 24.A OD1 no hydrogen 2.924 N/A MET 559.A N ASP 24.A OD2 no hydrogen 3.400 N/A ARG 562.A NH1 ASP 24.A OD2 no hydrogen 2.704 N/A TYR 563.A N ALA 560.A O no hydrogen 3.011 N/A TYR 563.A OH ALA 437.A O no hydrogen 2.817 N/A