Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1rq5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 6.A N THR 88.A O no hydrogen 2.719 N/A VAL 7.A N TYR 90.A O no hydrogen 2.568 N/A ARG 8.A N THR 23.A O no hydrogen 2.805 N/A ARG 8.A NE PRO 5.A O no hydrogen 2.470 N/A ARG 8.A NH1 ASN 505.A O no hydrogen 3.244 N/A ASN 10.A N TYR 14.A OH no hydrogen 3.082 N/A GLN 11.A N LEU 502.A O no hydrogen 2.935 N/A GLN 11.A NE2 ASP 508.A O no hydrogen 2.865 N/A GLY 13.A N ASN 10.A OD1 no hydrogen 2.730 N/A TYR 14.A N ASP 95.A O no hydrogen 2.486 N/A LYS 19.A N ASP 492.A OD1 no hydrogen 2.461 N/A LYS 20.A N SER 68.A OG no hydrogen 2.891 N/A LYS 20.A NZ PRO 16.A O no hydrogen 3.458 N/A LYS 20.A NZ GLY 18.A O no hydrogen 2.146 N/A LYS 20.A NZ SER 68.A O no hydrogen 3.395 N/A ALA 22.A N LEU 65.A O no hydrogen 3.206 N/A THR 23.A N ARG 8.A O no hydrogen 3.106 N/A THR 23.A OG1 GLY 448.A O no hydrogen 2.788 N/A VAL 24.A N HIS 63.A O no hydrogen 2.954 N/A VAL 25.A N ASP 6.A O no hydrogen 2.810 N/A CYS 26.A N TYR 61.A O no hydrogen 2.769 N/A CYS 26.A SG SER 28.A OG no hydrogen 3.266 N/A SER 28.A OG ASN 27.A OD1 no hydrogen 3.498 N/A THR 29.A N ASN 27.A O no hydrogen 2.465 N/A VAL 32.A N THR 49.A OG1 no hydrogen 2.865 N/A TRP 34.A N GLY 47.A O no hydrogen 2.858 N/A TRP 34.A NE1 TYR 48.A O no hydrogen 2.877 N/A GLN 35.A N GLU 80.A O no hydrogen 3.007 N/A LYS 37.A N TYR 78.A O no hydrogen 3.232 N/A LYS 37.A NZ GLU 80.A OE1 no hydrogen 2.901 N/A LYS 37.A NZ GLU 80.A OE2 no hydrogen 3.080 N/A ASN 38.A N VAL 42.A O no hydrogen 3.268 N/A GLY 41.A N ASN 38.A O no hydrogen 3.072 N/A GLY 47.A N TRP 34.A O no hydrogen 3.297 N/A THR 49.A N VAL 32.A O no hydrogen 2.813 N/A THR 49.A OG1 VAL 32.A O no hydrogen 3.322 N/A GLU 50.A N TRP 64.A O no hydrogen 2.894 N/A LYS 52.A N VAL 62.A O no hydrogen 2.898 N/A GLY 53.A N VAL 62.A O no hydrogen 3.190 N/A ASP 55.A N ASP 60.A O no hydrogen 2.914 N/A SER 58.A N ASP 55.A O no hydrogen 3.324 N/A SER 58.A OG ASP 55.A OD2 no hydrogen 2.470 N/A SER 58.A OG ASP 60.A OD2 no hydrogen 3.187 N/A GLN 59.A N ASP 55.A O no hydrogen 2.867 N/A VAL 62.A N GLY 53.A O no hydrogen 3.025 N/A HIS 63.A N VAL 24.A O no hydrogen 3.369 N/A TRP 64.A N GLU 50.A O no hydrogen 2.836 N/A TRP 64.A NE1 GLY 448.A O no hydrogen 3.100 N/A LEU 65.A N ALA 22.A O no hydrogen 3.159 N/A PHE 67.A N LYS 20.A O no hydrogen 2.843 N/A SER 68.A N ASP 66.A OD1 no hydrogen 2.788 N/A SER 68.A OG ASP 66.A OD1 no hydrogen 2.817 N/A GLY 74.A N ILE 96.A O no hydrogen 3.256 N/A GLY 76.A N PHE 94.A O no hydrogen 3.209 N/A GLY 76.A N ASP 95.A OD1 no hydrogen 3.027 N/A TYR 77.A OH THR 72.A O no hydrogen 2.828 N/A TYR 77.A OH GLU 73.A O no hydrogen 3.057 N/A TYR 78.A N LYS 37.A O no hydrogen 2.977 N/A PHE 79.A N SER 91.A OG no hydrogen 2.991 N/A VAL 84.A N LEU 81.A O no hydrogen 3.018 N/A THR 88.A OG1 ASP 6.A OD1 no hydrogen 3.073 N/A THR 88.A OG1 ASP 6.A OD2 no hydrogen 2.602 N/A ASN 89.A ND2 LEU 81.A O no hydrogen 3.122 N/A TYR 90.A N THR 88.A O no hydrogen 2.868 N/A SER 91.A OG HIS 92.A O no hydrogen 3.117 N/A HIS 92.A NE2 ASP 508.A OD1 no hydrogen 2.681 N/A HIS 92.A NE2 ASP 508.A OD2 no hydrogen 2.762 N/A PHE 94.A N TYR 77.A O no hydrogen 2.762 N/A ASP 95.A N VAL 12.A O no hydrogen 3.137 N/A ILE 96.A N GLY 74.A O no hydrogen 3.425 N/A ARG 97.A N TYR 14.A O no hydrogen 3.203 N/A ARG 97.A NE ASP 95.A OD2 no hydrogen 3.008 N/A ARG 97.A NH1 ASP 99.A OD1 no hydrogen 2.995 N/A THR 102.A OG1 ASP 599.A OD2 no hydrogen 2.901 N/A LYS 105.A N TYR 101.A O no hydrogen 3.187 N/A LYS 105.A NZ THR 102.A O no hydrogen 2.894 N/A LYS 105.A NZ ASP 599.A OD1 no hydrogen 2.513 N/A TYR 106.A N GLN 103.A O no hydrogen 2.870 N/A ASP 107.A N GLN 103.A O no hydrogen 3.093 N/A ALA 108.A N MET 104.A O no hydrogen 3.242 N/A LEU 109.A N LYS 105.A O no hydrogen 3.446 N/A ALA 110.A N TYR 106.A O no hydrogen 2.884 N/A PHE 112.A N LEU 109.A O no hydrogen 3.140 N/A TYR 113.A N ALA 110.A O no hydrogen 2.919 N/A HIS 114.A N ALA 110.A O no hydrogen 3.070 N/A LYS 115.A N PHE 111.A O no hydrogen 3.056 N/A LYS 115.A NZ ASP 525.A OD2 no hydrogen 2.947 N/A ARG 116.A N TYR 113.A O no hydrogen 3.134 N/A ARG 116.A NE GLU 232.A OE2 no hydrogen 2.994 N/A ARG 116.A NH1 GLU 221.A OE1 no hydrogen 3.460 N/A ARG 116.A NH1 GLU 221.A OE2 no hydrogen 3.122 N/A ARG 116.A NH2 GLU 221.A OE1 no hydrogen 2.858 N/A ARG 116.A NH2 GLU 232.A OE1 no hydrogen 3.082 N/A SER 117.A N GLY 173.A O no hydrogen 2.870 N/A SER 117.A OG GLY 136.A O no hydrogen 3.229 N/A SER 117.A OG TYR 175.A OH no hydrogen 3.321 N/A GLY 118.A N GLY 136.A O no hydrogen 2.833 N/A ILE 121.A N ARG 133.A O no hydrogen 2.873 N/A GLU 122.A N TYR 113.A OH no hydrogen 3.156 N/A ALA 126.A N GLU 122.A O no hydrogen 3.115 N/A GLY 127.A N PRO 124.A O no hydrogen 2.994 N/A TRP 131.A N GLY 128.A O no hydrogen 3.121 N/A TRP 131.A NE1 ALA 538.A O no hydrogen 2.879 N/A THR 132.A N GLU 129.A O no hydrogen 3.172 N/A THR 132.A OG1 GLU 129.A O no hydrogen 3.013 N/A ARG 133.A N ILE 121.A O no hydrogen 2.971 N/A ARG 133.A NH1 PRO 134.A O no hydrogen 3.084 N/A ARG 133.A NH2 HIS 114.A O no hydrogen 2.928 N/A ARG 133.A NH2 ARG 116.A O no hydrogen 2.920 N/A HIS 137.A ND1 TYR 175.A OH no hydrogen 2.710 N/A HIS 137.A NE2 ASP 276.A OD2 no hydrogen 2.819 N/A ASN 143.A N ILE 140.A O no hydrogen 3.180 N/A LYS 144.A NZ GLU 141.A OE2 no hydrogen 3.520 N/A LYS 144.A NZ PRO 142.A O no hydrogen 2.818 N/A LYS 144.A NZ PRO 277.A O no hydrogen 2.556 N/A VAL 149.A N LYS 168.A O no hydrogen 2.833 N/A THR 151.A N TYR 166.A O no hydrogen 2.993 N/A THR 151.A OG1 LYS 164.A O no hydrogen 2.723 N/A TRP 152.A N LEU 282.A O no hydrogen 3.040 N/A TRP 152.A NE1 ASP 156.A OD1 no hydrogen 2.988 N/A GLN 154.A NE2 TRP 152.A O no hydrogen 3.100 N/A ASP 156.A N PRO 153.A O no hydrogen 3.336 N/A TYR 158.A N ASP 156.A OD1 no hydrogen 3.406 N/A ALA 159.A N ASP 156.A O no hydrogen 3.190 N/A GLN 163.A N GLN 154.A OE1 no hydrogen 2.663 N/A GLN 163.A NE2 LEU 282.A O no hydrogen 3.192 N/A TYR 166.A OH HIS 258.A NE2 no hydrogen 2.445 N/A LYS 168.A N VAL 149.A O no hydrogen 3.001 N/A LYS 168.A NZ LYS 242.A O no hydrogen 3.010 N/A LYS 168.A NZ GLN 244.A O no hydrogen 2.899 N/A LYS 168.A NZ GLU 249.A OE1 no hydrogen 2.939 N/A LYS 168.A NZ GLU 249.A OE2 no hydrogen 3.014 N/A VAL 170.A N ASP 146.A O no hydrogen 2.488 N/A THR 171.A N ASP 169.A OD1 no hydrogen 3.019 N/A THR 171.A OG1 ASP 169.A OD1 no hydrogen 2.918 N/A TRP 174.A N GLU 236.A OE1 no hydrogen 2.722 N/A TRP 174.A NE1 GLU 232.A OE2 no hydrogen 2.875 N/A TYR 175.A N LYS 115.A O no hydrogen 2.698 N/A TYR 175.A OH HIS 137.A ND1 no hydrogen 2.710 N/A ASP 176.A N GLY 181.A O no hydrogen 3.047 N/A GLY 181.A N ASP 179.A OD2 no hydrogen 2.936 N/A LYS 182.A N ILE 261.A O no hydrogen 3.106 N/A LYS 182.A NZ ASP 146.A OD2 no hydrogen 2.503 N/A LYS 182.A NZ VAL 170.A O no hydrogen 2.640 N/A LYS 182.A NZ GLY 172.A O no hydrogen 2.965 N/A TYR 183.A OH ASP 179.A OD2 no hydrogen 2.576 N/A VAL 184.A N HIS 259.A O no hydrogen 3.230 N/A GLY 188.A N VAL 184.A O no hydrogen 2.662 N/A ALA 190.A N ASN 186.A O no hydrogen 3.332 N/A VAL 191.A N GLY 187.A O no hydrogen 2.900 N/A TRP 192.A N GLY 188.A O no hydrogen 2.990 N/A TRP 192.A NE1 GLU 363.A OE2 no hydrogen 2.726 N/A THR 193.A N ILE 189.A O no hydrogen 2.817 N/A THR 193.A N ALA 190.A O no hydrogen 3.127 N/A THR 193.A OG1 ILE 189.A O no hydrogen 2.847 N/A LEU 194.A N ALA 190.A O no hydrogen 3.370 N/A MET 195.A N VAL 191.A O no hydrogen 3.181 N/A ASN 196.A N TRP 192.A O no hydrogen 2.897 N/A MET 197.A N THR 193.A O no hydrogen 3.251 N/A TYR 198.A N LEU 194.A O no hydrogen 3.281 N/A GLU 199.A N MET 195.A O no hydrogen 2.940 N/A ARG 200.A N ASN 196.A O no hydrogen 2.948 N/A ARG 200.A NH1 GLU 600.A OE1 no hydrogen 3.527 N/A ARG 200.A NH1 GLU 600.A OE2 no hydrogen 3.095 N/A ARG 200.A NH2 ASP 483.A OD1 no hydrogen 3.116 N/A ARG 200.A NH2 GLU 600.A OE2 no hydrogen 2.931 N/A ALA 201.A N MET 197.A O no hydrogen 3.178 N/A LYS 202.A N TYR 198.A O no hydrogen 2.892 N/A ILE 203.A N GLU 199.A O no hydrogen 3.029 N/A ARG 204.A N ARG 200.A O no hydrogen 3.077 N/A GLY 205.A N ALA 201.A O no hydrogen 2.703 N/A LEU 206.A N ALA 201.A O no hydrogen 2.746 N/A TRP 209.A N LEU 206.A O no hydrogen 2.889 N/A TYR 212.A N TRP 209.A O no hydrogen 3.032 N/A GLY 215.A N ASP 228.A OD1 no hydrogen 2.690 N/A GLY 215.A N ASP 228.A OD2 no hydrogen 3.228 N/A GLY 216.A N ARG 213.A O no hydrogen 2.866 N/A MET 217.A N ASP 228.A OD2 no hydrogen 2.873 N/A ILE 219.A N MET 217.A O no hydrogen 2.712 N/A GLN 222.A N ILE 219.A O no hydrogen 2.978 N/A ASN 223.A ND2 ASP 214.A OD1 no hydrogen 3.560 N/A ASN 224.A N ASP 214.A OD2 no hydrogen 3.265 N/A ASN 224.A ND2 ASP 231.A OD2 no hydrogen 3.262 N/A GLY 225.A N ASP 214.A OD1 no hydrogen 3.007 N/A TYR 226.A N ASN 224.A OD1 no hydrogen 3.012 N/A ASP 228.A N ARG 213.A O no hydrogen 3.316 N/A ILE 229.A N PRO 211.A O no hydrogen 3.161 N/A ASP 231.A N PRO 227.A O no hydrogen 3.141 N/A ASP 231.A N ASP 228.A O no hydrogen 2.916 N/A GLU 232.A N ASP 228.A O no hydrogen 3.293 N/A ALA 233.A N ILE 229.A O no hydrogen 3.210 N/A ARG 234.A N LEU 230.A O no hydrogen 2.798 N/A ARG 234.A NE GLU 238.A OE1 no hydrogen 2.844 N/A ARG 234.A NH1 ASP 308.A OD2 no hydrogen 3.063 N/A ARG 234.A NH2 GLU 238.A OE1 no hydrogen 3.485 N/A TRP 235.A N ASP 231.A O no hydrogen 3.189 N/A TRP 235.A N GLU 232.A O no hydrogen 2.934 N/A TRP 235.A NE1 GLY 173.A O no hydrogen 3.060 N/A GLU 236.A N ALA 233.A O no hydrogen 2.978 N/A ILE 237.A N ALA 233.A O no hydrogen 3.025 N/A GLU 238.A N ARG 234.A O no hydrogen 2.708 N/A PHE 239.A N GLU 236.A O no hydrogen 3.231 N/A PHE 240.A N GLU 236.A O no hydrogen 3.074 N/A LYS 241.A N ILE 237.A O no hydrogen 3.042 N/A LYS 241.A NZ ASP 314.A OD1 no hydrogen 2.576 N/A LYS 242.A NZ GLU 238.A O no hydrogen 3.515 N/A MET 243.A N PHE 240.A O no hydrogen 2.841 N/A GLN 244.A N LYS 241.A O no hydrogen 3.372 N/A VAL 245.A N MET 256.A O no hydrogen 2.759 N/A THR 246.A N GLU 249.A OE1 no hydrogen 2.933 N/A GLU 249.A N THR 246.A O no hydrogen 3.066 N/A GLU 249.A N THR 246.A OG1 no hydrogen 3.278 N/A ASP 250.A N THR 246.A O no hydrogen 3.162 N/A SER 252.A N ASP 250.A OD2 no hydrogen 3.212 N/A ILE 253.A N ASP 250.A O no hydrogen 3.254 N/A ALA 254.A N PRO 251.A O no hydrogen 3.505 N/A GLY 255.A N VAL 245.A O no hydrogen 2.921 N/A MET 256.A N ILE 253.A O no hydrogen 3.159 N/A VAL 257.A N THR 290.A OG1 no hydrogen 2.849 N/A HIS 258.A N MET 243.A O no hydrogen 3.076 N/A HIS 258.A ND1 ARG 283.A O no hydrogen 2.845 N/A HIS 258.A NE2 TYR 166.A OH no hydrogen 2.445 N/A HIS 259.A ND1 SER 286.A OG no hydrogen 2.670 N/A HIS 259.A NE2 PRO 347.A O no hydrogen 3.146 N/A HIS 259.A NE2 TYR 348.A O no hydrogen 2.978 N/A LYS 260.A NZ GLY 346.A O no hydrogen 2.946 N/A ILE 261.A N LYS 182.A O no hydrogen 3.107 N/A HIS 262.A N TYR 281.A O no hydrogen 3.310 N/A HIS 262.A ND1 ASP 263.A O no hydrogen 2.837 N/A PHE 264.A N PRO 279.A O no hydrogen 2.818 N/A ARG 265.A N GLN 278.A OE1 no hydrogen 2.924 N/A ARG 265.A NH1 PHE 264.A O no hydrogen 2.680 N/A ARG 265.A NH2 ASP 156.A OD2 no hydrogen 2.658 N/A GLY 270.A N ARG 526.A O no hydrogen 3.270 N/A MET 271.A N ARG 526.A O no hydrogen 2.787 N/A LEU 272.A N GLU 275.A OE2 no hydrogen 2.935 N/A GLU 275.A N LEU 272.A O no hydrogen 2.748 N/A ASP 276.A N PRO 273.A O no hydrogen 2.989 N/A GLN 278.A N ASP 276.A OD1 no hydrogen 2.859 N/A ARG 280.A NE ASP 263.A OD1 no hydrogen 3.378 N/A ARG 280.A NH1 ASP 146.A OD1 no hydrogen 3.040 N/A ARG 280.A NH1 HIS 180.A O no hydrogen 3.538 N/A ARG 280.A NH2 HIS 180.A O no hydrogen 2.554 N/A TYR 281.A N HIS 262.A O no hydrogen 3.186 N/A LEU 282.A N PRO 150.A O no hydrogen 2.947 N/A ARG 283.A N LYS 260.A O no hydrogen 2.745 N/A ARG 283.A NH1 TYR 158.A O no hydrogen 3.094 N/A ARG 283.A NH2 TYR 158.A O no hydrogen 3.074 N/A SER 286.A N VAL 257.A O no hydrogen 3.445 N/A SER 286.A OG HIS 259.A ND1 no hydrogen 2.670 N/A THR 287.A N ILE 332.A O no hydrogen 2.991 N/A THR 287.A OG1 HIS 329.A O no hydrogen 2.777 N/A THR 287.A OG1 ILE 332.A O no hydrogen 3.328 N/A ALA 289.A N SER 286.A OG no hydrogen 3.157 N/A THR 290.A N SER 286.A O no hydrogen 2.815 N/A THR 290.A OG1 SER 286.A O no hydrogen 3.081 N/A LEU 291.A N THR 287.A O no hydrogen 2.707 N/A ASN 292.A N ALA 288.A O no hydrogen 2.743 N/A ASN 292.A ND2 ALA 288.A O no hydrogen 2.552 N/A PHE 293.A N ALA 289.A O no hydrogen 2.996 N/A ALA 294.A N THR 290.A O no hydrogen 2.842 N/A ALA 295.A N LEU 291.A O no hydrogen 2.845 N/A THR 296.A N ASN 292.A O no hydrogen 2.874 N/A THR 296.A OG1 ASN 292.A O no hydrogen 3.144 N/A LEU 297.A N PHE 293.A O no hydrogen 2.916 N/A ALA 298.A N ALA 294.A O no hydrogen 3.154 N/A ALA 298.A N ALA 295.A O no hydrogen 3.264 N/A GLN 299.A N ALA 295.A O no hydrogen 3.044 N/A SER 300.A N THR 296.A O no hydrogen 2.823 N/A ALA 301.A N LEU 297.A O no hydrogen 2.895 N/A ARG 302.A N ALA 298.A O no hydrogen 3.225 N/A ARG 302.A NE GLU 199.A OE2 no hydrogen 2.335 N/A ARG 302.A NH1 GLU 363.A OE1 no hydrogen 2.923 N/A ARG 302.A NH1 THR 367.A OG1 no hydrogen 3.405 N/A ARG 302.A NH2 GLU 199.A OE1 no hydrogen 2.287 N/A ARG 302.A NH2 GLU 199.A OE2 no hydrogen 3.033 N/A ARG 302.A NH2 GLU 363.A OE1 no hydrogen 3.335 N/A LEU 303.A N SER 300.A O no hydrogen 3.206 N/A TRP 304.A N SER 300.A O no hydrogen 3.077 N/A TYR 307.A N TRP 304.A O no hydrogen 3.007 N/A ASP 308.A N TRP 304.A O no hydrogen 2.851 N/A PHE 311.A N ASP 308.A OD1 no hydrogen 3.017 N/A ALA 312.A N ASP 308.A O no hydrogen 2.986 N/A ALA 313.A N PRO 309.A O no hydrogen 3.028 N/A ASP 314.A N THR 310.A O no hydrogen 3.238 N/A CYS 315.A N PHE 311.A O no hydrogen 3.074 N/A CYS 315.A SG PHE 311.A O no hydrogen 3.197 N/A LEU 316.A N ALA 312.A O no hydrogen 3.317 N/A GLU 317.A N ALA 313.A O no hydrogen 2.967 N/A LYS 318.A N ASP 314.A O no hydrogen 3.050 N/A LYS 318.A N CYS 315.A O no hydrogen 3.091 N/A ALA 319.A N CYS 315.A O no hydrogen 2.802 N/A GLU 320.A N LEU 316.A O no hydrogen 3.039 N/A ILE 321.A N GLU 317.A O no hydrogen 3.377 N/A ALA 322.A N LYS 318.A O no hydrogen 2.898 N/A TRP 323.A N ALA 319.A O no hydrogen 2.920 N/A GLN 324.A N GLU 320.A O no hydrogen 2.965 N/A ALA 325.A N ILE 321.A O no hydrogen 3.287 N/A ALA 326.A N ALA 322.A O no hydrogen 2.890 N/A LEU 327.A N TRP 323.A O no hydrogen 3.290 N/A LEU 327.A N GLN 324.A O no hydrogen 3.245 N/A LYS 328.A N GLN 324.A O no hydrogen 3.419 N/A HIS 329.A N ALA 325.A O no hydrogen 3.051 N/A HIS 329.A ND1 ALA 325.A O no hydrogen 2.890 N/A HIS 329.A NE2 SER 252.A O no hydrogen 2.702 N/A ILE 332.A N THR 287.A OG1 no hydrogen 2.904 N/A GLU 335.A N GLU 335.A OE1 no hydrogen 2.597 N/A GLY 344.A N PHE 264.A O no hydrogen 3.209 N/A GLY 346.A N TYR 183.A OH no hydrogen 3.177 N/A TYR 348.A OH ASP 176.A OD1 no hydrogen 2.663 N/A TYR 352.A N ASP 350.A OD1 no hydrogen 2.740 N/A TYR 352.A OH HIS 382.A NE2 no hydrogen 2.279 N/A PHE 357.A N VAL 353.A O no hydrogen 3.074 N/A TYR 358.A N GLY 354.A O no hydrogen 2.911 N/A TYR 358.A OH THR 411.A OG1 no hydrogen 2.621 N/A TRP 359.A N ASP 355.A O no hydrogen 2.650 N/A ALA 360.A N GLU 356.A O no hydrogen 2.785 N/A ALA 361.A N PHE 357.A O no hydrogen 2.957 N/A CYS 362.A N TYR 358.A O no hydrogen 2.984 N/A CYS 362.A SG TYR 358.A O no hydrogen 3.381 N/A GLU 363.A N TRP 359.A O no hydrogen 3.145 N/A LEU 364.A N ALA 360.A O no hydrogen 2.890 N/A TYR 365.A N ALA 361.A O no hydrogen 2.807 N/A VAL 366.A N CYS 362.A O no hydrogen 3.279 N/A THR 367.A N GLU 363.A O no hydrogen 3.215 N/A THR 367.A OG1 ALA 298.A O no hydrogen 3.172 N/A THR 367.A OG1 GLU 363.A O no hydrogen 3.186 N/A THR 368.A N LEU 364.A O no hydrogen 2.794 N/A THR 368.A OG1 LEU 364.A O no hydrogen 2.643 N/A GLY 369.A N TYR 365.A O no hydrogen 2.569 N/A LYS 370.A N THR 368.A OG1 no hydrogen 3.183 N/A TYR 373.A OH GLU 320.A OE2 no hydrogen 2.775 N/A LYS 374.A NZ GLY 420.A O no hydrogen 3.524 N/A ASN 375.A N ASP 371.A O no hydrogen 2.860 N/A LEU 377.A N TYR 373.A O no hydrogen 2.983 N/A MET 378.A N LYS 374.A O no hydrogen 2.975 N/A ASN 379.A N ASN 375.A O no hydrogen 3.156 N/A HIS 382.A N SER 380.A OG no hydrogen 3.218 N/A HIS 382.A ND1 GLU 385.A OE1 no hydrogen 2.519 N/A HIS 382.A NE2 TYR 352.A OH no hydrogen 2.279 N/A TYR 383.A N SER 380.A O no hydrogen 3.030 N/A TYR 383.A OH ASP 425.A OD2 no hydrogen 2.753 N/A LEU 384.A N TYR 358.A OH no hydrogen 3.046 N/A GLU 385.A N HIS 382.A O no hydrogen 2.568 N/A ASN 395.A N GLY 392.A O no hydrogen 3.235 N/A GLY 396.A N MET 390.A O no hydrogen 2.573 N/A LEU 397.A N ASP 394.A O no hydrogen 3.049 N/A GLY 399.A N ALA 388.A O no hydrogen 2.794 N/A CYS 400.A SG ASN 473.A O no hydrogen 3.173 N/A THR 402.A N THR 405.A O no hydrogen 3.244 N/A THR 402.A OG1 ASP 394.A OD2 no hydrogen 2.792 N/A THR 402.A OG1 THR 405.A OG1 no hydrogen 3.307 N/A GLY 404.A N THR 402.A OG1 no hydrogen 3.194 N/A THR 405.A N THR 402.A OG1 no hydrogen 2.961 N/A THR 405.A OG1 ASP 394.A OD2 no hydrogen 2.452 N/A THR 405.A OG1 THR 402.A OG1 no hydrogen 3.307 N/A THR 406.A N ASP 355.A OD1 no hydrogen 2.547 N/A THR 406.A OG1 ASP 355.A OD1 no hydrogen 2.841 N/A LEU 409.A N THR 406.A O no hydrogen 2.871 N/A THR 411.A OG1 TYR 358.A OH no hydrogen 2.621 N/A THR 411.A OG1 GLU 385.A O no hydrogen 2.503 N/A ILE 412.A N GLY 408.A O no hydrogen 2.894 N/A THR 413.A N LEU 409.A O no hydrogen 3.295 N/A THR 413.A OG1 GLU 363.A OE2 no hydrogen 2.388 N/A LEU 414.A N GLY 410.A O no hydrogen 2.997 N/A ALA 415.A N THR 411.A O no hydrogen 2.952 N/A VAL 417.A N THR 413.A O no hydrogen 3.071 N/A ILE 426.A N PRO 422.A O no hydrogen 3.362 N/A GLN 427.A N ALA 423.A O no hydrogen 3.361 N/A LYS 428.A N THR 424.A O no hydrogen 3.216 N/A ALA 429.A N ASP 425.A O no hydrogen 2.903 N/A ARG 430.A N ILE 426.A O no hydrogen 3.003 N/A ASN 431.A N GLN 427.A O no hydrogen 2.997 N/A ASN 431.A N LYS 428.A O no hydrogen 2.601 N/A ASN 432.A N LYS 428.A O no hydrogen 2.773 N/A ASN 432.A ND2 LEU 384.A O no hydrogen 3.011 N/A ILE 433.A N ALA 429.A O no hydrogen 3.259 N/A ALA 434.A N ARG 430.A O no hydrogen 3.310 N/A LYS 435.A N ASN 431.A O no hydrogen 2.640 N/A ALA 436.A N ASN 432.A O no hydrogen 2.804 N/A ALA 437.A N ILE 433.A O no hydrogen 3.070 N/A ASP 438.A N ALA 434.A O no hydrogen 3.049 N/A ARG 439.A N LYS 435.A O no hydrogen 3.067 N/A TRP 440.A N ALA 436.A O no hydrogen 3.331 N/A TRP 440.A NE1 ALA 388.A O no hydrogen 2.906 N/A LEU 441.A N ALA 437.A O no hydrogen 2.695 N/A GLU 442.A N ASP 438.A O no hydrogen 2.926 N/A GLU 442.A N ARG 439.A O no hydrogen 2.834 N/A ASN 443.A N ARG 439.A O no hydrogen 3.067 N/A ASN 443.A ND2 PRO 452.A O no hydrogen 3.157 N/A ILE 444.A N TRP 440.A O no hydrogen 3.146 N/A GLU 446.A N GLU 442.A O no hydrogen 3.088 N/A GLN 447.A N ILE 444.A O no hydrogen 3.242 N/A GLY 448.A N ASP 55.A OD1 no hydrogen 3.223 N/A TYR 449.A OH ASP 60.A OD2 no hydrogen 3.096 N/A ARG 450.A N GLN 447.A O no hydrogen 3.256 N/A ARG 450.A NE ASP 496.A OD1 no hydrogen 2.957 N/A ARG 450.A NH1 GLU 445.A OE1 no hydrogen 3.111 N/A ARG 450.A NH2 GLU 445.A OE1 no hydrogen 3.297 N/A ARG 450.A NH2 GLU 445.A OE2 no hydrogen 2.836 N/A LYS 454.A NZ GLU 446.A OE1 no hydrogen 3.454 N/A GLN 455.A NE2 ASP 57.A OD1 no hydrogen 2.867 N/A ALA 456.A N GLY 462.A O no hydrogen 3.221 N/A GLU 457.A N GLY 396.A O no hydrogen 2.590 N/A GLU 459.A N GLU 457.A O no hydrogen 2.649 N/A GLY 462.A N GLN 455.A OE1 no hydrogen 2.891 N/A TYR 463.A OH ASP 57.A OD2 no hydrogen 2.813 N/A TYR 463.A OH GLN 568.A OE1 no hydrogen 3.246 N/A SER 467.A OG PRO 548.A O no hydrogen 2.859 N/A ASN 468.A N GLY 546.A O no hydrogen 3.026 N/A ASN 468.A ND2 SER 545.A O no hydrogen 2.978 N/A SER 469.A N GLY 466.A O no hydrogen 3.080 N/A SER 469.A OG GLY 466.A O no hydrogen 2.697 N/A PHE 470.A N SER 467.A O no hydrogen 2.604 N/A ILE 471.A N SER 467.A O no hydrogen 3.360 N/A LEU 472.A N ASN 468.A O no hydrogen 2.982 N/A ASN 473.A N SER 469.A O no hydrogen 2.946 N/A ASN 473.A ND2 SER 469.A O no hydrogen 3.152 N/A GLN 474.A N PHE 470.A O no hydrogen 3.142 N/A MET 475.A N ILE 471.A O no hydrogen 2.991 N/A ILE 476.A N LEU 472.A O no hydrogen 3.153 N/A ILE 476.A N ASN 473.A O no hydrogen 3.186 N/A VAL 477.A N ASN 473.A O no hydrogen 3.321 N/A MET 478.A N GLN 474.A O no hydrogen 2.929 N/A GLY 479.A N MET 475.A O no hydrogen 2.820 N/A TYR 480.A N ILE 476.A O no hydrogen 3.003 N/A TYR 480.A OH ASN 196.A OD1 no hydrogen 2.596 N/A ALA 481.A N VAL 477.A O no hydrogen 3.124 N/A TYR 482.A N MET 478.A O no hydrogen 3.070 N/A ASP 483.A N TYR 480.A O no hydrogen 2.831 N/A PHE 484.A N TYR 480.A O no hydrogen 2.923 N/A THR 485.A OG1 ALA 481.A O no hydrogen 2.638 N/A GLY 486.A N TYR 482.A O no hydrogen 3.240 N/A ASP 487.A N THR 485.A OG1 no hydrogen 3.270 N/A LYS 489.A NZ ASP 438.A OD1 no hydrogen 2.973 N/A TYR 490.A N ASP 487.A O no hydrogen 2.996 N/A TYR 490.A OH ASP 438.A OD2 no hydrogen 3.046 N/A ASP 492.A N SER 488.A O no hydrogen 2.923 N/A GLY 493.A N LYS 489.A O no hydrogen 2.882 N/A MET 494.A N TYR 490.A O no hydrogen 3.342 N/A PHE 495.A N LEU 491.A O no hydrogen 2.903 N/A ASP 496.A N ASP 492.A O no hydrogen 2.924 N/A ASP 496.A N GLY 493.A O no hydrogen 2.980 N/A GLY 497.A N GLY 493.A O no hydrogen 2.831 N/A ILE 498.A N MET 494.A O no hydrogen 3.004 N/A SER 499.A N PHE 495.A O no hydrogen 3.197 N/A TYR 500.A N ASP 496.A O no hydrogen 3.118 N/A LEU 501.A N GLY 497.A O no hydrogen 3.308 N/A LEU 502.A N ILE 498.A O no hydrogen 3.070 N/A LEU 502.A N SER 499.A O no hydrogen 3.234 N/A GLY 503.A N TYR 500.A O no hydrogen 3.346 N/A ARG 504.A N SER 499.A O no hydrogen 3.106 N/A ARG 504.A NE VAL 21.A O no hydrogen 2.988 N/A ARG 504.A NH1 TYR 449.A O no hydrogen 2.834 N/A ARG 504.A NH1 ARG 450.A O no hydrogen 3.144 N/A ARG 504.A NH2 VAL 21.A O no hydrogen 3.258 N/A ARG 504.A NH2 ASP 496.A OD1 no hydrogen 2.562 N/A ASN 505.A N GLY 503.A O no hydrogen 2.734 N/A ASN 505.A ND2 TYR 500.A O no hydrogen 3.245 N/A ASN 505.A ND2 GLN 509.A O no hydrogen 2.529 N/A MET 507.A N ASN 505.A OD1 no hydrogen 2.652 N/A ASP 508.A N ASN 505.A O no hydrogen 2.980 N/A GLN 509.A N ASN 505.A OD1 no hydrogen 2.999 N/A SER 510.A N ARG 518.A O no hydrogen 3.099 N/A SER 510.A OG VAL 512.A O no hydrogen 3.473 N/A SER 510.A OG TYR 515.A O no hydrogen 2.772 N/A TYR 511.A N LEU 501.A O no hydrogen 3.055 N/A THR 513.A N ILE 543.A O no hydrogen 2.712 N/A THR 513.A OG1 PRO 540.A O no hydrogen 2.624 N/A THR 513.A OG1 ILE 543.A O no hydrogen 3.371 N/A TYR 515.A OH ASP 107.A OD2 no hydrogen 2.751 N/A ARG 518.A N GLN 11.A OE1 no hydrogen 2.975 N/A ARG 518.A NE ASP 508.A O no hydrogen 2.821 N/A ARG 518.A NH1 LEU 2.A O no hydrogen 3.099 N/A ARG 518.A NH2 LEU 2.A O no hydrogen 3.264 N/A ARG 518.A NH2 ASP 508.A OD1 no hydrogen 2.366 N/A LEU 520.A N VAL 512.A O no hydrogen 3.422 N/A GLN 521.A N ASP 573.A OD1 no hydrogen 2.805 N/A ASN 522.A N ASP 573.A OD2 no hydrogen 3.017 N/A HIS 524.A N ASN 581.A O no hydrogen 2.701 N/A ARG 526.A N GLY 178.A O no hydrogen 3.287 N/A ARG 526.A NE GLY 178.A O no hydrogen 2.804 N/A ARG 526.A NH1 THR 267.A OG1 no hydrogen 3.250 N/A ARG 526.A NH2 GLY 178.A O no hydrogen 3.392 N/A PHE 527.A N ASP 525.A OD1 no hydrogen 2.976 N/A TRP 528.A N ASP 525.A OD1 no hydrogen 3.080 N/A THR 529.A N PHE 527.A O no hydrogen 2.969 N/A THR 529.A OG1 THR 532.A OG1 no hydrogen 2.639 N/A THR 529.A OG1 THR 575.A OG1 no hydrogen 2.882 N/A THR 532.A N THR 529.A O no hydrogen 2.948 N/A THR 532.A OG1 THR 529.A OG1 no hydrogen 2.639 N/A ARG 535.A N SER 533.A OG no hydrogen 2.997 N/A PHE 536.A N SER 533.A O no hydrogen 2.858 N/A GLY 542.A N THR 513.A O no hydrogen 2.887 N/A ILE 543.A N THR 513.A OG1 no hydrogen 2.946 N/A SER 545.A N TYR 511.A O no hydrogen 2.669 N/A SER 545.A OG ASN 581.A OD1 no hydrogen 2.746 N/A GLY 546.A N GLN 582.A O no hydrogen 3.104 N/A GLY 547.A N SER 545.A OG no hydrogen 3.295 N/A ASN 549.A N CYS 570.A O no hydrogen 3.100 N/A ASN 549.A ND2 TYR 463.A O no hydrogen 3.541 N/A SER 550.A N TYR 463.A O no hydrogen 2.890 N/A SER 550.A OG TYR 463.A O no hydrogen 3.349 N/A ARG 551.A NE GLY 461.A O no hydrogen 3.298 N/A ARG 551.A NH2 ASP 458.A OD2 no hydrogen 3.114 N/A ARG 551.A NH2 GLY 461.A O no hydrogen 3.139 N/A ILE 557.A N ASP 554.A OD2 no hydrogen 2.959 N/A ASN 558.A N ASP 554.A O no hydrogen 3.258 N/A ASN 558.A N PRO 555.A O no hydrogen 2.980 N/A ASN 558.A ND2 PHE 552.A O no hydrogen 2.962 N/A ASN 558.A ND2 ASP 554.A O no hydrogen 2.675 N/A ALA 559.A N PRO 555.A O no hydrogen 2.970 N/A ALA 560.A N THR 556.A O no hydrogen 2.840 N/A THR 565.A N LYS 562.A O no hydrogen 3.254 N/A THR 565.A OG1 LYS 562.A O no hydrogen 3.029 N/A GLN 568.A N ASP 57.A O no hydrogen 3.306 N/A LYS 569.A N PRO 566.A O no hydrogen 2.615 N/A LYS 569.A NZ SER 58.A O no hydrogen 2.822 N/A LYS 569.A NZ ASP 60.A OD1 no hydrogen 2.948 N/A LYS 569.A NZ ASP 60.A OD2 no hydrogen 3.265 N/A CYS 570.A N PRO 567.A O no hydrogen 3.211 N/A CYS 570.A SG THR 565.A O no hydrogen 3.302 N/A CYS 570.A SG PRO 566.A O no hydrogen 3.435 N/A PHE 571.A N LYS 569.A O no hydrogen 2.770 N/A HIS 574.A N ILE 572.A O no hydrogen 2.944 N/A THR 575.A N GLN 531.A OE1 no hydrogen 2.937 N/A THR 575.A OG1 PRO 523.A O no hydrogen 2.975 N/A THR 575.A OG1 THR 529.A OG1 no hydrogen 2.882 N/A ASP 576.A N HIS 574.A ND1 no hydrogen 2.952 N/A SER 577.A N HIS 574.A O no hydrogen 2.940 N/A SER 577.A OG ASP 554.A OD1 no hydrogen 2.752 N/A SER 577.A OG ASP 554.A OD2 no hydrogen 3.376 N/A TRP 578.A N ASP 576.A O no hydrogen 2.746 N/A GLY 579.A N ASP 554.A OD1 no hydrogen 3.048 N/A THR 580.A N SER 577.A O no hydrogen 3.121 N/A THR 580.A OG1 GLY 547.A O no hydrogen 3.153 N/A THR 580.A OG1 CYS 570.A O no hydrogen 3.295 N/A ASN 581.A N SER 577.A O no hydrogen 2.755 N/A ASN 581.A ND2 ASN 522.A O no hydrogen 2.655 N/A ASN 581.A ND2 ASP 573.A OD2 no hydrogen 2.659 N/A THR 584.A OG1 ASN 586.A OD1 no hydrogen 2.436 N/A VAL 585.A N ASP 176.A O no hydrogen 2.970 N/A ASN 588.A N THR 584.A O no hydrogen 3.188 N/A ALA 589.A N VAL 585.A O no hydrogen 3.140 N/A PHE 591.A N TRP 587.A O no hydrogen 3.115 N/A ALA 592.A N ASN 588.A O no hydrogen 2.916 N/A ALA 592.A N ALA 589.A O no hydrogen 2.962 N/A TRP 593.A N ALA 589.A O no hydrogen 2.938 N/A TRP 593.A NE1 ASN 196.A OD1 no hydrogen 2.923 N/A VAL 594.A N PRO 590.A O no hydrogen 3.086 N/A THR 595.A N PHE 591.A O no hydrogen 3.078 N/A THR 595.A OG1 PHE 591.A O no hydrogen 2.817 N/A THR 595.A OG1 ALA 592.A O no hydrogen 2.966 N/A ALA 596.A N ALA 592.A O no hydrogen 2.981 N/A TYR 597.A N TRP 593.A O no hydrogen 3.093 N/A TYR 597.A OH GLY 479.A O no hydrogen 2.417 N/A TYR 597.A OH ASP 483.A OD1 no hydrogen 3.086 N/A LEU 598.A N VAL 594.A O no hydrogen 3.066 N/A ASP 599.A N THR 595.A O no hydrogen 3.066 N/A ASP 599.A N ALA 596.A O no hydrogen 2.829 N/A GLU 600.A N ALA 596.A O no hydrogen 3.061 N/A GLN 601.A N TYR 597.A O no hydrogen 3.104 N/A TYR 602.A N ASP 599.A O no hydrogen 3.381 N/A