Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1sqy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N PRO 33.A O no hydrogen 3.278 N/A GLN 7.A N ASP 55.A OD2 no hydrogen 2.377 N/A TRP 8.A N SER 35.A O no hydrogen 2.873 N/A CYS 9.A N ALA 56.A O no hydrogen 3.035 N/A CYS 9.A SG THR 10.A O no hydrogen 3.861 N/A THR 10.A N VAL 37.A O no hydrogen 3.008 N/A THR 10.A OG1 VAL 37.A O no hydrogen 2.758 N/A VAL 11.A N GLU 15.A OE1 no hydrogen 2.787 N/A GLU 15.A N SER 12.A OG no hydrogen 3.095 N/A ALA 16.A N SER 12.A O no hydrogen 2.977 N/A THR 17.A N ASN 13.A O no hydrogen 2.933 N/A LYS 18.A N PRO 14.A O no hydrogen 3.082 N/A LYS 18.A NZ LEU 288.A O no hydrogen 2.923 N/A LYS 18.A NZ GLY 290.A O no hydrogen 2.997 N/A LYS 18.A NZ LEU 298.A O no hydrogen 2.753 N/A CYS 19.A N GLU 15.A O no hydrogen 2.883 N/A PHE 20.A N ALA 16.A O no hydrogen 2.970 N/A PHE 20.A N THR 17.A O no hydrogen 2.780 N/A GLN 21.A N THR 17.A O no hydrogen 3.106 N/A TRP 22.A N LYS 18.A O no hydrogen 2.963 N/A GLN 23.A N CYS 19.A O no hydrogen 3.153 N/A ARG 24.A N PHE 20.A O no hydrogen 3.107 N/A ASN 25.A N GLN 21.A O no hydrogen 3.012 N/A ASN 25.A ND2 GLN 21.A O no hydrogen 2.504 N/A MET 26.A N TRP 22.A O no hydrogen 3.104 N/A ARG 27.A N ARG 24.A O no hydrogen 2.767 N/A ARG 28.A N ASN 25.A O no hydrogen 3.191 N/A GLY 31.A N MET 26.A O no hydrogen 2.757 N/A SER 35.A N VAL 6.A O no hydrogen 2.900 N/A SER 35.A OG GLN 7.A OE1 no hydrogen 2.850 N/A CYS 36.A SG CYS 19.A O no hydrogen 3.109 N/A VAL 37.A N TRP 8.A O no hydrogen 3.066 N/A ARG 39.A NH1 LYS 38.A O no hydrogen 2.665 N/A ASP 40.A N GLN 44.A OE1 no hydrogen 2.649 N/A GLN 44.A N SER 41.A OG no hydrogen 3.367 N/A CYS 45.A N SER 41.A O no hydrogen 2.958 N/A CYS 45.A SG THR 10.A O no hydrogen 3.278 N/A ILE 46.A N PRO 42.A O no hydrogen 2.692 N/A GLN 47.A N THR 43.A O no hydrogen 2.900 N/A ALA 48.A N GLN 44.A O no hydrogen 2.613 N/A ILE 49.A N CYS 45.A O no hydrogen 2.899 N/A ALA 50.A N ILE 46.A O no hydrogen 3.156 N/A GLU 51.A N GLN 47.A O no hydrogen 3.058 N/A GLU 51.A N ALA 48.A O no hydrogen 3.278 N/A ASN 52.A N ILE 49.A O no hydrogen 3.339 N/A ARG 53.A N ALA 48.A O no hydrogen 3.059 N/A ASP 55.A N GLN 7.A O no hydrogen 2.655 N/A ALA 56.A N GLN 7.A O no hydrogen 3.204 N/A THR 58.A OG1 LEU 299.A O no hydrogen 3.050 N/A LEU 59.A N ALA 254.A O no hydrogen 2.850 N/A GLY 62.A N ASP 60.A OD2 no hydrogen 3.175 N/A PHE 63.A N ASP 60.A O no hydrogen 2.978 N/A ILE 64.A N ASP 60.A O no hydrogen 2.984 N/A ILE 64.A N GLY 61.A O no hydrogen 2.964 N/A TYR 65.A N GLY 61.A O no hydrogen 3.139 N/A ALA 67.A N PHE 63.A O no hydrogen 2.929 N/A GLY 68.A N TYR 65.A O no hydrogen 3.402 N/A LEU 69.A N GLU 66.A O no hydrogen 3.210 N/A TYR 72.A OH GLN 47.A OE1 no hydrogen 3.382 N/A LYS 73.A N LEU 69.A O no hydrogen 2.900 N/A LEU 74.A N ALA 67.A O no hydrogen 2.723 N/A ARG 75.A N ALA 257.A O no hydrogen 2.806 N/A ARG 75.A NE ILE 314.A O no hydrogen 3.001 N/A ARG 75.A NH2 ILE 314.A O no hydrogen 2.725 N/A VAL 77.A N VAL 255.A O no hydrogen 2.972 N/A ALA 79.A N SER 308.A O no hydrogen 3.038 N/A GLU 80.A N HIS 253.A O no hydrogen 3.039 N/A VAL 81.A N GLY 306.A O no hydrogen 2.883 N/A TYR 82.A N ARG 89.A O no hydrogen 2.831 N/A TYR 82.A OH GLU 80.A OE1 no hydrogen 2.512 N/A THR 84.A N GLN 87.A O no hydrogen 3.319 N/A GLN 87.A N THR 84.A OG1 no hydrogen 3.095 N/A ARG 89.A N TYR 82.A O no hydrogen 2.937 N/A ARG 89.A NH1 HIS 91.A O no hydrogen 2.754 N/A ARG 89.A NH1 GLU 211.A OE2 no hydrogen 3.198 N/A ARG 89.A NH2 GLU 211.A OE2 no hydrogen 2.798 N/A TYR 92.A N VAL 250.A O no hydrogen 2.824 N/A TYR 92.A OH TYR 192.A OH no hydrogen 2.922 N/A TYR 92.A OH HIS 253.A NE2 no hydrogen 3.113 N/A TYR 93.A N GLU 211.A OE1 no hydrogen 2.540 N/A ALA 94.A N ALA 248.A O no hydrogen 3.047 N/A VAL 95.A N ILE 209.A O no hydrogen 2.876 N/A VAL 97.A N ALA 207.A O no hydrogen 2.777 N/A VAL 98.A N GLU 228.A O no hydrogen 3.025 N/A LYS 99.A NZ LEU 199.A O no hydrogen 3.490 N/A LYS 99.A NZ ARG 200.A O no hydrogen 3.182 N/A LYS 100.A N GLU 226.A O no hydrogen 2.645 N/A LYS 100.A NZ ASP 225.A O no hydrogen 2.726 N/A GLN 105.A N GLU 108.A OE1 no hydrogen 2.584 N/A ASN 107.A N ASN 234.A OD1 no hydrogen 3.241 N/A GLU 108.A N GLN 105.A O no hydrogen 2.771 N/A GLY 111.A N PHE 152.A O no hydrogen 2.846 N/A LEU 112.A N LEU 109.A O no hydrogen 3.137 N/A LYS 113.A N ASP 205.A OD2 no hydrogen 2.593 N/A SER 114.A N ALA 155.A O no hydrogen 3.101 N/A SER 114.A OG HIS 116.A NE2 no hydrogen 2.753 N/A SER 114.A OG SER 156.A OG no hydrogen 2.928 N/A CYS 115.A N VAL 206.A O no hydrogen 2.939 N/A HIS 116.A N CYS 157.A O no hydrogen 3.059 N/A HIS 116.A ND1 GLY 124.A O no hydrogen 2.822 N/A HIS 116.A NE2 SER 114.A OG no hydrogen 2.753 N/A LEU 119.A N PRO 159.A O no hydrogen 2.888 N/A ARG 121.A N GLY 118.A O no hydrogen 3.378 N/A ARG 121.A NH1 SER 191.A OG no hydrogen 3.311 N/A ARG 121.A NH2 SER 191.A OG no hydrogen 2.857 N/A THR 122.A N ASP 60.A OD2 no hydrogen 2.723 N/A THR 122.A OG1 ASP 60.A OD1 no hydrogen 3.421 N/A THR 122.A OG1 ASP 60.A OD2 no hydrogen 3.154 N/A THR 122.A OG1 TYR 324.A OH no hydrogen 2.573 N/A TRP 125.A N ARG 121.A O no hydrogen 2.941 N/A ASN 126.A N ARG 121.A O no hydrogen 2.993 N/A ASN 126.A ND2 ARG 120.A O no hydrogen 3.233 N/A ASN 126.A ND2 TYR 324.A OH no hydrogen 3.130 N/A VAL 127.A N THR 122.A O no hydrogen 3.043 N/A ILE 129.A N TRP 125.A O no hydrogen 2.920 N/A GLY 130.A N ASN 126.A O no hydrogen 3.086 N/A THR 131.A N VAL 127.A O no hydrogen 2.974 N/A THR 131.A OG1 VAL 127.A O no hydrogen 2.619 N/A LEU 132.A N PRO 128.A O no hydrogen 3.031 N/A ARG 133.A NH1 ASN 330.A O no hydrogen 2.708 N/A ARG 133.A NH1 LYS 333.A O no hydrogen 3.372 N/A ARG 133.A NH2 LYS 333.A O no hydrogen 2.634 N/A PHE 135.A N LEU 132.A O no hydrogen 2.774 N/A LEU 136.A N ARG 133.A O no hydrogen 3.058 N/A TRP 138.A NE1 GLU 143.A O no hydrogen 2.597 N/A GLU 143.A N GLY 140.A O no hydrogen 3.128 N/A GLU 146.A N GLU 146.A OE1 no hydrogen 2.451 N/A VAL 149.A N ILE 145.A O no hydrogen 3.119 N/A ALA 150.A N GLU 146.A O no hydrogen 2.802 N/A ARG 151.A NH1 GLU 143.A OE1 no hydrogen 3.362 N/A ARG 151.A NH2 GLU 143.A OE1 no hydrogen 3.027 N/A ARG 151.A NH2 GLU 143.A OE2 no hydrogen 2.677 N/A PHE 152.A N ALA 148.A O no hydrogen 3.304 N/A PHE 152.A N VAL 149.A O no hydrogen 3.121 N/A PHE 153.A N VAL 149.A O no hydrogen 3.176 N/A SER 154.A N LEU 112.A O no hydrogen 3.112 N/A SER 154.A OG GLY 111.A O no hydrogen 3.379 N/A SER 156.A N ASN 168.A O no hydrogen 3.041 N/A SER 156.A OG SER 114.A OG no hydrogen 2.928 N/A CYS 157.A N SER 114.A O no hydrogen 3.142 N/A VAL 158.A N LEU 169.A O no hydrogen 2.634 N/A GLY 160.A N CYS 181.A O no hydrogen 3.010 N/A ALA 161.A N VAL 158.A O no hydrogen 2.977 N/A LYS 163.A NZ LYS 180.A O no hydrogen 3.246 N/A GLN 165.A N ASP 162.A OD2 no hydrogen 2.989 N/A PHE 166.A N ASP 162.A O no hydrogen 2.651 N/A ASN 168.A ND2 ALA 150.A O no hydrogen 2.857 N/A ASN 168.A ND2 PHE 153.A O no hydrogen 3.518 N/A LEU 169.A N PHE 166.A O no hydrogen 2.826 N/A CYS 170.A N PRO 167.A O no hydrogen 3.235 N/A CYS 170.A SG ALA 161.A O no hydrogen 4.038 N/A LEU 172.A N SER 156.A O no hydrogen 3.002 N/A CYS 173.A N CYS 170.A O no hydrogen 3.066 N/A ALA 174.A N GLU 187.A OE2 no hydrogen 2.905 N/A GLY 175.A N GLU 187.A OE1 no hydrogen 2.659 N/A ASN 179.A N THR 176.A O no hydrogen 2.884 N/A LYS 180.A NZ CYS 173.A O no hydrogen 3.011 N/A CYS 181.A N GLU 187.A OE1 no hydrogen 2.952 N/A CYS 181.A SG VAL 158.A O no hydrogen 3.692 N/A ALA 182.A N ASN 179.A O no hydrogen 3.297 N/A GLN 186.A N SER 184.A OG no hydrogen 3.257 N/A GLU 187.A N SER 184.A O no hydrogen 3.074 N/A TYR 189.A N GLU 187.A OE2 no hydrogen 2.952 N/A TYR 189.A OH ASP 201.A OD2 no hydrogen 2.619 N/A PHE 190.A N GLU 187.A O no hydrogen 3.188 N/A SER 191.A N THR 117.A O no hydrogen 2.988 N/A TYR 192.A OH HIS 253.A NE2 no hydrogen 2.867 N/A SER 193.A OG ASP 217.A OD1 no hydrogen 3.045 N/A SER 193.A OG ASP 217.A OD2 no hydrogen 2.681 N/A ALA 195.A N SER 191.A O no hydrogen 2.814 N/A PHE 196.A N TYR 192.A O no hydrogen 3.125 N/A LYS 197.A N SER 193.A O no hydrogen 2.867 N/A CYS 198.A N GLY 194.A O no hydrogen 3.057 N/A LEU 199.A N PHE 196.A O no hydrogen 3.039 N/A ARG 200.A N PHE 196.A O no hydrogen 3.011 N/A ASP 201.A N LYS 197.A O no hydrogen 2.847 N/A GLY 202.A N LEU 199.A O no hydrogen 2.845 N/A GLY 204.A N CYS 198.A O no hydrogen 3.240 N/A ASP 205.A N LYS 113.A O no hydrogen 2.513 N/A VAL 206.A N LYS 113.A O no hydrogen 3.208 N/A ALA 207.A N VAL 97.A O no hydrogen 2.861 N/A PHE 208.A N CYS 115.A O no hydrogen 3.047 N/A ILE 209.A N VAL 95.A O no hydrogen 3.246 N/A ARG 210.A NH2 TYR 82.A OH no hydrogen 3.437 N/A ARG 210.A NH2 TYR 192.A OH no hydrogen 3.065 N/A GLU 211.A N TYR 93.A O no hydrogen 3.161 N/A GLU 211.A N GLU 211.A OE1 no hydrogen 2.989 N/A SER 212.A OG GLU 216.A OE2 no hydrogen 2.945 N/A THR 213.A OG1 ARG 210.A O no hydrogen 3.346 N/A PHE 215.A N SER 212.A O no hydrogen 2.902 N/A GLU 216.A N SER 212.A O no hydrogen 2.903 N/A GLU 216.A N THR 213.A O no hydrogen 3.029 N/A ASP 217.A N THR 213.A O no hydrogen 3.032 N/A LEU 218.A N VAL 214.A O no hydrogen 3.296 N/A GLU 223.A N ASP 220.A O no hydrogen 2.741 N/A ARG 224.A N GLU 221.A O no hydrogen 3.302 N/A ARG 224.A NE LEU 218.A O no hydrogen 2.966 N/A ARG 224.A NH2 LEU 218.A O no hydrogen 3.493 N/A GLU 226.A N GLU 223.A O no hydrogen 3.384 N/A TYR 227.A N ARG 224.A O no hydrogen 3.312 N/A GLU 228.A N VAL 98.A O no hydrogen 3.218 N/A LEU 229.A N LYS 237.A O no hydrogen 2.799 N/A LEU 230.A N ALA 96.A O no hydrogen 3.016 N/A CYS 231.A N THR 235.A O no hydrogen 2.901 N/A CYS 231.A SG LEU 229.A O no hydrogen 4.013 N/A CYS 231.A SG THR 235.A O no hydrogen 3.577 N/A CYS 231.A SG THR 235.A OG1 no hydrogen 3.741 N/A ASN 234.A N CYS 231.A O no hydrogen 3.104 N/A THR 235.A N ASP 233.A OD1 no hydrogen 3.160 N/A THR 235.A OG1 ASP 233.A OD1 no hydrogen 2.748 N/A THR 235.A OG1 ASP 233.A OD2 no hydrogen 3.458 N/A ARG 236.A NE GLU 228.A OE1 no hydrogen 2.751 N/A ARG 236.A NH1 PHE 104.A O no hydrogen 2.780 N/A ARG 236.A NH2 GLU 228.A OE1 no hydrogen 2.927 N/A LYS 237.A N LEU 229.A O no hydrogen 3.106 N/A LYS 241.A N PRO 238.A O no hydrogen 3.116 N/A ASP 244.A N LYS 241.A O no hydrogen 2.991 N/A CYS 245.A N PHE 242.A O no hydrogen 3.176 N/A HIS 246.A ND1 PHE 242.A O no hydrogen 2.950 N/A LEU 247.A N ALA 94.A O no hydrogen 2.819 N/A VAL 250.A N TYR 92.A O no hydrogen 2.937 N/A SER 252.A N THR 90.A O no hydrogen 3.228 N/A SER 252.A OG GLU 80.A O no hydrogen 2.870 N/A SER 252.A OG THR 90.A O no hydrogen 3.326 N/A HIS 253.A N TYR 82.A OH no hydrogen 3.342 N/A ALA 254.A N LEU 59.A O no hydrogen 3.044 N/A VAL 255.A N ALA 78.A O no hydrogen 2.822 N/A VAL 256.A N VAL 57.A O no hydrogen 2.894 N/A ALA 257.A N ARG 75.A O no hydrogen 2.965 N/A ARG 258.A NE ILE 49.A O no hydrogen 3.096 N/A ARG 258.A NH1 ASN 261.A O no hydrogen 2.348 N/A ARG 258.A NH2 ASP 55.A OD1 no hydrogen 3.321 N/A SER 259.A OG LYS 73.A O no hydrogen 2.568 N/A LYS 263.A NZ ASP 55.A OD1 no hydrogen 3.213 N/A GLU 264.A N GLU 264.A OE1 no hydrogen 3.077 N/A ILE 267.A N LYS 263.A O no hydrogen 2.823 N/A TRP 268.A N GLU 264.A O no hydrogen 2.746 N/A ASN 269.A N ASP 265.A O no hydrogen 2.858 N/A LEU 270.A N ALA 266.A O no hydrogen 3.001 N/A LEU 271.A N ILE 267.A O no hydrogen 3.028 N/A ARG 272.A N TRP 268.A O no hydrogen 2.998 N/A GLN 273.A N ASN 269.A O no hydrogen 3.146 N/A ALA 274.A N LEU 270.A O no hydrogen 2.803 N/A GLN 275.A N LEU 271.A O no hydrogen 2.583 N/A GLU 276.A N ARG 272.A O no hydrogen 2.925 N/A LYS 277.A N GLN 273.A O no hydrogen 2.921 N/A PHE 278.A N ALA 274.A O no hydrogen 2.799 N/A LYS 280.A NZ ASP 281.A OD1 no hydrogen 3.525 N/A LYS 282.A NZ LYS 280.A O no hydrogen 2.721 N/A PHE 286.A N SER 283.A O no hydrogen 3.151 N/A LEU 288.A N PHE 278.A O no hydrogen 3.311 N/A GLY 290.A N GLN 287.A O no hydrogen 3.195 N/A SER 291.A OG ASP 302.A OD1 no hydrogen 2.943 N/A GLN 295.A N PRO 292.A O no hydrogen 2.677 N/A LYS 296.A NZ SER 193.A OG no hydrogen 3.355 N/A LYS 296.A NZ ASP 217.A OD1 no hydrogen 3.291 N/A ASP 297.A N ASP 302.A OD2 no hydrogen 2.588 N/A LEU 298.A N SER 291.A OG no hydrogen 3.044 N/A LEU 299.A N GLU 15.A OE2 no hydrogen 3.241 N/A LYS 301.A N GLU 80.A OE2 no hydrogen 3.032 N/A LYS 301.A NZ GLU 216.A OE2 no hydrogen 2.696 N/A LYS 301.A NZ ASP 302.A O no hydrogen 3.499 N/A ASP 302.A N ASP 297.A OD1 no hydrogen 3.072 N/A SER 303.A N PHE 289.A O no hydrogen 2.944 N/A ALA 304.A N LYS 301.A O no hydrogen 3.201 N/A ILE 305.A N VAL 81.A O no hydrogen 2.858 N/A PHE 307.A N GLN 275.A OE1 no hydrogen 2.835 N/A SER 308.A N ALA 79.A O no hydrogen 3.116 N/A VAL 310.A N VAL 77.A O no hydrogen 3.005 N/A ARG 313.A NH1 ARG 313.A O no hydrogen 2.904 N/A ARG 313.A NH2 ASP 379.A OD1 no hydrogen 3.215 N/A ILE 314.A N PRO 311.A O no hydrogen 3.056 N/A LEU 318.A N ASP 315.A OD1 no hydrogen 2.842 N/A TYR 319.A N ASP 315.A O no hydrogen 2.976 N/A TYR 319.A OH SER 252.A O no hydrogen 2.629 N/A LEU 320.A N SER 316.A O no hydrogen 3.147 N/A GLY 321.A N GLY 317.A O no hydrogen 3.330 N/A GLY 321.A N LEU 318.A O no hydrogen 3.330 N/A TYR 324.A OH THR 122.A OG1 no hydrogen 2.573 N/A PHE 325.A N GLY 321.A O no hydrogen 2.823 N/A THR 326.A N SER 322.A O no hydrogen 2.992 N/A THR 326.A OG1 SER 322.A O no hydrogen 2.679 N/A THR 326.A OG1 GLY 323.A O no hydrogen 3.361 N/A ALA 327.A N GLY 323.A O no hydrogen 2.891 N/A ILE 328.A N TYR 324.A O no hydrogen 2.994 N/A GLN 329.A N PHE 325.A O no hydrogen 3.477 N/A ASN 330.A N THR 326.A O no hydrogen 3.072 N/A LEU 331.A N ILE 328.A O no hydrogen 2.901 N/A ARG 332.A N GLN 329.A O no hydrogen 3.159 N/A ARG 332.A NH2 GLU 66.A OE2 no hydrogen 3.237 N/A LYS 333.A N ASN 330.A O no hydrogen 3.184 N/A SER 334.A OG GLU 336.A OE1 no hydrogen 3.453 N/A GLU 337.A N SER 334.A OG no hydrogen 3.275 N/A VAL 338.A N SER 334.A O no hydrogen 3.051 N/A ALA 339.A N GLU 335.A O no hydrogen 3.028 N/A ALA 340.A N GLU 336.A O no hydrogen 3.043 N/A ARG 341.A N GLU 337.A O no hydrogen 3.158 N/A ARG 341.A NH1 ARG 341.A O no hydrogen 2.893 N/A ARG 341.A NH1 ASP 390.A OD2 no hydrogen 3.019 N/A ARG 341.A NH2 GLY 387.A O no hydrogen 3.018 N/A ARG 341.A NH2 ASP 390.A OD1 no hydrogen 2.608 N/A ARG 341.A NH2 ASP 390.A OD2 no hydrogen 3.246 N/A ARG 342.A N VAL 338.A O no hydrogen 3.109 N/A ALA 343.A N ALA 339.A O no hydrogen 3.092 N/A ALA 343.A N ALA 340.A O no hydrogen 3.220 N/A ARG 344.A N ALA 340.A O no hydrogen 3.117 N/A ARG 344.A N ARG 341.A O no hydrogen 3.215 N/A VAL 345.A N SER 368.A O no hydrogen 2.946 N/A VAL 346.A N ASP 390.A OD2 no hydrogen 2.900 N/A TRP 347.A N THR 370.A O no hydrogen 2.871 N/A CYS 348.A N ALA 391.A O no hydrogen 3.018 N/A ALA 349.A N SER 372.A O no hydrogen 3.020 N/A VAL 350.A N GLU 354.A OE1 no hydrogen 2.555 N/A GLY 351.A N ALA 374.A O no hydrogen 3.161 N/A LEU 355.A N GLY 351.A O no hydrogen 2.916 N/A ARG 356.A N GLU 352.A O no hydrogen 2.866 N/A LYS 357.A N GLN 353.A O no hydrogen 3.218 N/A LYS 357.A NZ LEU 633.A O no hydrogen 2.656 N/A LYS 357.A NZ GLN 635.A O no hydrogen 3.087 N/A LYS 357.A NZ LEU 641.A O no hydrogen 2.829 N/A CYS 358.A N GLU 354.A O no hydrogen 2.818 N/A ASN 359.A N LEU 355.A O no hydrogen 2.781 N/A GLN 360.A N ARG 356.A O no hydrogen 3.264 N/A TRP 361.A N LYS 357.A O no hydrogen 3.195 N/A TRP 361.A NE1 GLN 616.A OE1 no hydrogen 2.815 N/A SER 362.A N CYS 358.A O no hydrogen 2.893 N/A SER 362.A OG VAL 369.A O no hydrogen 2.701 N/A GLY 363.A N ASN 359.A O no hydrogen 2.967 N/A LEU 364.A N TRP 361.A O no hydrogen 3.000 N/A SER 365.A N SER 362.A O no hydrogen 2.844 N/A SER 365.A OG SER 362.A O no hydrogen 2.729 N/A SER 365.A OG VAL 369.A O no hydrogen 3.053 N/A SER 368.A N SER 365.A O no hydrogen 2.970 N/A SER 368.A OG SER 365.A O no hydrogen 2.890 N/A VAL 369.A N SER 365.A OG no hydrogen 3.084 N/A THR 370.A N VAL 345.A O no hydrogen 2.910 N/A CYS 371.A SG ASN 359.A OD1 no hydrogen 3.829 N/A SER 372.A N TRP 347.A O no hydrogen 2.875 N/A ALA 374.A N ALA 349.A O no hydrogen 3.239 N/A ASP 379.A N THR 376.A OG1 no hydrogen 2.986 N/A CYS 380.A N THR 376.A O no hydrogen 3.234 N/A CYS 380.A SG ALA 349.A O no hydrogen 3.702 N/A ILE 381.A N THR 377.A O no hydrogen 2.944 N/A ALA 382.A N GLU 378.A O no hydrogen 3.207 N/A LEU 383.A N ASP 379.A O no hydrogen 3.329 N/A VAL 384.A N CYS 380.A O no hydrogen 3.280 N/A VAL 384.A N ILE 381.A O no hydrogen 3.153 N/A LEU 385.A N ILE 381.A O no hydrogen 3.126 N/A LYS 386.A N ALA 382.A O no hydrogen 3.064 N/A LYS 386.A NZ ASP 315.A OD2 no hydrogen 2.564 N/A GLY 387.A N VAL 384.A O no hydrogen 3.321 N/A ALA 389.A N LEU 383.A O no hydrogen 3.068 N/A ASP 390.A N VAL 346.A O no hydrogen 2.642 N/A ALA 391.A N VAL 346.A O no hydrogen 3.253 N/A SER 393.A OG GLU 413.A OE2 no hydrogen 3.288 N/A LEU 394.A N ALA 598.A O no hydrogen 2.752 N/A GLY 397.A N ASP 395.A OD2 no hydrogen 2.843 N/A TYR 398.A N ASP 395.A O no hydrogen 2.853 N/A VAL 399.A N ASP 395.A O no hydrogen 3.071 N/A TYR 400.A N GLY 396.A O no hydrogen 3.235 N/A ALA 402.A N TYR 398.A O no hydrogen 2.866 N/A GLY 403.A N VAL 399.A O no hydrogen 3.025 N/A LYS 404.A N TYR 400.A O no hydrogen 2.986 N/A CYS 405.A N ALA 402.A O no hydrogen 3.166 N/A CYS 405.A SG THR 401.A O no hydrogen 3.449 N/A GLY 406.A N GLY 403.A O no hydrogen 2.635 N/A LEU 407.A N ALA 402.A O no hydrogen 2.881 N/A VAL 408.A N SER 601.A O no hydrogen 3.008 N/A VAL 410.A N VAL 599.A O no hydrogen 2.823 N/A ALA 412.A N ALA 651.A O no hydrogen 2.877 N/A GLU 413.A N HIS 597.A O no hydrogen 2.956 N/A ASN 414.A N CYS 649.A O no hydrogen 2.859 N/A ASN 414.A ND2 CYS 427.A O no hydrogen 3.123 N/A ASN 414.A ND2 ARG 430.A O no hydrogen 2.852 N/A TYR 415.A OH GLU 413.A OE1 no hydrogen 2.553 N/A SER 417.A OG GLN 418.A O no hydrogen 2.696 N/A GLN 418.A N GLU 433.A OE1 no hydrogen 3.015 N/A SER 420.A N GLN 418.A O no hydrogen 2.212 N/A ASN 426.A N ASP 424.A OD1 no hydrogen 2.628 N/A ASP 429.A N ASN 426.A O no hydrogen 3.146 N/A ARG 430.A N CYS 427.A O no hydrogen 3.130 N/A ARG 430.A NH1 ASP 424.A OD2 no hydrogen 3.204 N/A ARG 430.A NH1 GLU 648.A OE1 no hydrogen 3.244 N/A ARG 430.A NH2 TYR 415.A O no hydrogen 3.161 N/A ARG 430.A NH2 GLU 648.A OE1 no hydrogen 2.803 N/A GLY 434.A N ASN 596.A OD1 no hydrogen 2.735 N/A TYR 435.A N ALA 594.A O no hydrogen 2.828 N/A TYR 435.A OH TYR 528.A OH no hydrogen 2.733 N/A TYR 435.A OH HIS 597.A NE2 no hydrogen 3.179 N/A ALA 437.A N ALA 592.A O no hydrogen 3.100 N/A VAL 438.A N VAL 545.A O no hydrogen 2.830 N/A VAL 440.A N ALA 543.A O no hydrogen 2.771 N/A VAL 441.A N ALA 572.A O no hydrogen 2.946 N/A ARG 442.A NE ASP 445.A OD2 no hydrogen 3.268 N/A ARG 442.A NH1 LEU 535.A O no hydrogen 2.911 N/A ARG 442.A NH1 GLY 540.A O no hydrogen 3.192 N/A ARG 442.A NH2 ASP 445.A OD2 no hydrogen 2.832 N/A ARG 442.A NH2 ASP 541.A OD1 no hydrogen 3.415 N/A ARG 443.A N ASP 570.A O no hydrogen 2.853 N/A THR 446.A N SER 444.A O no hydrogen 2.334 N/A THR 446.A OG1 SER 444.A O no hydrogen 3.315 N/A LEU 448.A N ASP 445.A O no hydrogen 3.286 N/A THR 449.A N SER 452.A OG no hydrogen 3.124 N/A THR 449.A OG1 SER 452.A OG no hydrogen 3.372 N/A ASN 451.A N THR 449.A OG1 no hydrogen 3.164 N/A SER 452.A N THR 449.A O no hydrogen 3.015 N/A SER 452.A OG THR 449.A O no hydrogen 3.243 N/A SER 452.A OG THR 449.A OG1 no hydrogen 3.372 N/A VAL 453.A N TRP 450.A O no hydrogen 3.424 N/A LYS 454.A NZ GLN 479.A OE1 no hydrogen 2.900 N/A GLY 455.A N TYR 488.A O no hydrogen 3.105 N/A LYS 456.A N VAL 453.A O no hydrogen 3.277 N/A LYS 456.A NZ SER 452.A O no hydrogen 3.185 N/A LYS 456.A NZ LYS 454.A O no hydrogen 2.857 N/A LYS 457.A N ASP 541.A OD2 no hydrogen 3.075 N/A LYS 457.A NZ GLN 491.A OE1 no hydrogen 2.433 N/A SER 458.A N GLN 491.A O no hydrogen 2.947 N/A SER 458.A OG HIS 460.A NE2 no hydrogen 2.749 N/A SER 458.A OG SER 492.A OG no hydrogen 2.698 N/A CYS 459.A N VAL 542.A O no hydrogen 2.952 N/A HIS 460.A N CYS 493.A O no hydrogen 2.910 N/A HIS 460.A ND1 GLY 468.A O no hydrogen 2.610 N/A HIS 460.A NE2 SER 458.A OG no hydrogen 2.749 N/A VAL 463.A N PRO 495.A O no hydrogen 3.027 N/A THR 466.A N ASP 395.A OD2 no hydrogen 2.704 N/A THR 466.A OG1 ASP 395.A OD1 no hydrogen 3.456 N/A THR 466.A OG1 ASP 395.A OD2 no hydrogen 3.296 N/A THR 466.A OG1 TYR 667.A OH no hydrogen 2.680 N/A TRP 469.A N ARG 465.A O no hydrogen 3.016 N/A ASN 470.A N ARG 465.A O no hydrogen 2.938 N/A ASN 470.A ND2 ASP 464.A O no hydrogen 3.380 N/A ASN 470.A ND2 TYR 667.A OH no hydrogen 3.015 N/A ILE 471.A N THR 466.A O no hydrogen 3.015 N/A MET 473.A N TRP 469.A O no hydrogen 3.021 N/A GLY 474.A N ASN 470.A O no hydrogen 3.108 N/A LEU 475.A N ILE 471.A O no hydrogen 3.161 N/A LEU 476.A N PRO 472.A O no hydrogen 3.128 N/A PHE 477.A N MET 473.A O no hydrogen 2.754 N/A ASN 478.A N GLY 474.A O no hydrogen 3.107 N/A GLN 479.A N LEU 476.A O no hydrogen 2.927 N/A THR 480.A N LEU 476.A O no hydrogen 3.261 N/A SER 482.A N THR 480.A OG1 no hydrogen 2.984 N/A LYS 484.A N SER 482.A OG no hydrogen 3.006 N/A PHE 485.A N CYS 483.A O no hydrogen 2.870 N/A GLU 487.A N LYS 484.A O no hydrogen 3.177 N/A TYR 488.A N PHE 485.A O no hydrogen 3.473 N/A TYR 488.A OH SER 482.A O no hydrogen 2.664 N/A SER 490.A N LYS 456.A O no hydrogen 3.204 N/A SER 490.A OG GLY 455.A O no hydrogen 3.256 N/A SER 492.A N ASN 502.A O no hydrogen 2.964 N/A SER 492.A OG SER 458.A OG no hydrogen 2.698 N/A CYS 493.A N SER 458.A O no hydrogen 3.130 N/A ALA 494.A N LEU 503.A O no hydrogen 2.725 N/A GLY 496.A N CYS 517.A O no hydrogen 2.791 N/A ARG 497.A N ALA 494.A O no hydrogen 3.228 N/A ARG 500.A N ASP 498.A OD1 no hydrogen 3.168 N/A SER 501.A N ASP 498.A O no hydrogen 2.660 N/A LEU 503.A N SER 501.A OG no hydrogen 3.260 N/A CYS 504.A N SER 501.A O no hydrogen 3.161 N/A CYS 504.A SG ASP 498.A O no hydrogen 3.362 N/A ALA 505.A N ASN 502.A O no hydrogen 3.155 N/A LEU 506.A N SER 492.A O no hydrogen 3.067 N/A CYS 507.A N CYS 504.A O no hydrogen 3.085 N/A ILE 508.A N GLU 523.A OE2 no hydrogen 3.121 N/A GLY 509.A N GLU 523.A OE1 no hydrogen 2.812 N/A GLY 509.A N GLU 523.A OE2 no hydrogen 3.183 N/A ASP 510.A N GLU 514.A O no hydrogen 2.639 N/A GLY 513.A N ASP 510.A O no hydrogen 2.657 N/A GLU 514.A N ASP 510.A OD1 no hydrogen 2.630 N/A ASN 515.A ND2 ASP 510.A OD2 no hydrogen 3.184 N/A LYS 516.A NZ CYS 507.A O no hydrogen 3.144 N/A CYS 517.A N GLU 523.A OE1 no hydrogen 2.843 N/A CYS 517.A SG ALA 494.A O no hydrogen 3.761 N/A CYS 517.A SG ARG 497.A O no hydrogen 4.047 N/A VAL 518.A N ASN 515.A O no hydrogen 3.064 N/A ASN 520.A ND2 SER 375.A O no hydrogen 2.896 N/A SER 521.A OG GLN 353.A OE1 no hydrogen 3.236 N/A ASN 522.A N ASN 520.A OD1 no hydrogen 2.946 N/A ASN 522.A ND2 GLU 352.A OE2 no hydrogen 2.873 N/A GLU 523.A N ASN 520.A O no hydrogen 3.217 N/A ARG 524.A N GLY 509.A O no hydrogen 3.364 N/A ARG 524.A NE GLY 509.A O no hydrogen 2.548 N/A ARG 524.A NH2 ILE 508.A O no hydrogen 2.693 N/A ARG 524.A NH2 GLY 509.A O no hydrogen 3.296 N/A TYR 525.A N GLU 523.A OE2 no hydrogen 3.048 N/A TYR 525.A OH GLU 537.A OE1 no hydrogen 2.458 N/A TYR 526.A N GLU 523.A O no hydrogen 3.021 N/A GLY 527.A N THR 461.A O no hydrogen 2.938 N/A TYR 528.A OH HIS 597.A NE2 no hydrogen 2.856 N/A THR 529.A OG1 THR 638.A O no hydrogen 2.830 N/A GLY 530.A N TYR 526.A O no hydrogen 3.183 N/A ALA 531.A N GLY 527.A O no hydrogen 2.971 N/A PHE 532.A N TYR 528.A O no hydrogen 3.274 N/A ARG 533.A N THR 529.A O no hydrogen 3.043 N/A ARG 533.A NE GLU 537.A OE1 no hydrogen 3.465 N/A ARG 533.A NE GLU 537.A OE2 no hydrogen 2.753 N/A CYS 534.A N GLY 530.A O no hydrogen 3.053 N/A LEU 535.A N PHE 532.A O no hydrogen 2.894 N/A ALA 536.A N PHE 532.A O no hydrogen 3.009 N/A GLU 537.A N ARG 533.A O no hydrogen 2.904 N/A ASN 538.A N LEU 535.A O no hydrogen 2.840 N/A ALA 539.A N CYS 534.A O no hydrogen 2.968 N/A GLY 540.A N CYS 534.A O no hydrogen 3.285 N/A ASP 541.A N LYS 457.A O no hydrogen 2.789 N/A ALA 543.A N VAL 440.A O no hydrogen 2.836 N/A PHE 544.A N CYS 459.A O no hydrogen 3.032 N/A VAL 545.A N VAL 438.A O no hydrogen 3.301 N/A LYS 546.A NZ ASN 646.A OD1 no hydrogen 3.469 N/A ASP 547.A N LEU 436.A O no hydrogen 3.381 N/A THR 549.A N LYS 546.A O no hydrogen 3.157 N/A THR 549.A OG1 LYS 546.A O no hydrogen 3.137 N/A VAL 550.A N ASP 547.A O no hydrogen 3.263 N/A GLN 552.A N VAL 548.A O no hydrogen 2.811 N/A GLN 552.A NE2 VAL 548.A O no hydrogen 3.167 N/A ASN 553.A N VAL 550.A O no hydrogen 3.099 N/A ASN 553.A ND2 THR 549.A O no hydrogen 2.876 N/A THR 554.A N LEU 551.A O no hydrogen 3.475 N/A THR 554.A OG1 VAL 550.A O no hydrogen 2.820 N/A ASP 555.A N LEU 566.A O no hydrogen 2.770 N/A ASN 557.A N THR 554.A O no hydrogen 3.037 N/A ASN 557.A ND2 LEU 551.A O no hydrogen 3.376 N/A ASN 557.A ND2 THR 554.A O no hydrogen 3.458 N/A ASN 558.A ND2 ASN 553.A OD1 no hydrogen 2.730 N/A GLU 560.A N ASN 558.A OD1 no hydrogen 2.918 N/A TRP 562.A NE1 GLU 560.A OE1 no hydrogen 3.204 N/A ALA 563.A N GLU 560.A O no hydrogen 3.322 N/A LYS 564.A N GLU 560.A O no hydrogen 2.672 N/A LYS 564.A N ALA 561.A O no hydrogen 3.388 N/A LEU 566.A N ALA 563.A O no hydrogen 3.164 N/A LEU 568.A N ASP 555.A OD1 no hydrogen 3.329 N/A ASP 570.A N LYS 567.A O no hydrogen 2.911 N/A ALA 572.A N VAL 441.A O no hydrogen 2.915 N/A LEU 573.A N LYS 581.A O no hydrogen 2.784 N/A LEU 574.A N ALA 439.A O no hydrogen 3.214 N/A CYS 575.A N LYS 579.A O no hydrogen 2.977 N/A CYS 575.A SG LYS 579.A O no hydrogen 3.627 N/A GLY 578.A N CYS 575.A O no hydrogen 3.065 N/A LYS 579.A N ASP 577.A OD1 no hydrogen 2.654 N/A ARG 580.A NH1 ASP 445.A O no hydrogen 2.735 N/A ARG 580.A NH1 LEU 448.A O no hydrogen 2.753 N/A ARG 580.A NH2 ARG 443.A O no hydrogen 3.187 N/A LYS 581.A N LEU 573.A O no hydrogen 3.133 N/A LYS 581.A NZ SER 588.A OG no hydrogen 3.017 N/A GLU 585.A N PRO 582.A O no hydrogen 2.888 N/A ALA 586.A N VAL 583.A O no hydrogen 3.253 N/A SER 588.A N GLU 585.A O no hydrogen 3.137 N/A SER 588.A OG GLU 585.A O no hydrogen 3.140 N/A CYS 589.A N ALA 586.A O no hydrogen 2.991 N/A HIS 590.A ND1 ALA 586.A O no hydrogen 2.887 N/A LEU 591.A N ALA 437.A O no hydrogen 2.864 N/A ALA 594.A N TYR 435.A O no hydrogen 2.804 N/A ASN 596.A ND2 GLU 413.A O no hydrogen 2.625 N/A HIS 597.A N TYR 415.A OH no hydrogen 3.421 N/A ALA 598.A N LEU 394.A O no hydrogen 2.925 N/A VAL 599.A N LEU 411.A O no hydrogen 2.904 N/A VAL 600.A N MET 392.A O no hydrogen 3.147 N/A SER 601.A N VAL 408.A O no hydrogen 3.112 N/A SER 601.A OG ASP 390.A O no hydrogen 2.660 N/A ARG 602.A NE ASP 604.A OD2 no hydrogen 2.919 N/A ARG 602.A NH1 VAL 384.A O no hydrogen 3.053 N/A ARG 602.A NH1 ALA 389.A O no hydrogen 2.984 N/A ARG 602.A NH1 ASP 390.A OD1 no hydrogen 3.392 N/A ARG 602.A NH2 ASP 390.A OD1 no hydrogen 3.044 N/A LYS 605.A N ARG 602.A O no hydrogen 3.169 N/A LYS 605.A NZ ARG 342.A O no hydrogen 3.224 N/A LYS 605.A NZ ARG 344.A O no hydrogen 2.793 N/A ARG 608.A NE ALA 343.A O no hydrogen 2.710 N/A ARG 608.A NH2 ALA 343.A O no hydrogen 3.168 N/A LEU 609.A N LYS 605.A O no hydrogen 2.916 N/A LYS 610.A N VAL 606.A O no hydrogen 3.091 N/A GLN 611.A N GLU 607.A O no hydrogen 3.144 N/A VAL 612.A N ARG 608.A O no hydrogen 3.086 N/A LEU 613.A N LEU 609.A O no hydrogen 2.962 N/A LEU 614.A N LYS 610.A O no hydrogen 3.130 N/A HIS 615.A N GLN 611.A O no hydrogen 3.144 N/A GLN 616.A N VAL 612.A O no hydrogen 2.708 N/A GLN 616.A NE2 HIS 615.A ND1 no hydrogen 3.189 N/A GLN 617.A N LEU 613.A O no hydrogen 2.914 N/A GLN 617.A NE2 LEU 650.A O no hydrogen 3.171 N/A ALA 618.A N LEU 614.A O no hydrogen 3.294 N/A ALA 618.A N HIS 615.A O no hydrogen 2.954 N/A LYS 619.A N GLN 616.A O no hydrogen 3.136 N/A LYS 619.A NZ GLU 366.A OE2 no hydrogen 3.408 N/A PHE 620.A N GLN 616.A O no hydrogen 2.872 N/A GLY 624.A N GLY 621.A O no hydrogen 2.715 N/A SER 625.A N ALA 618.A O no hydrogen 3.368 N/A SER 625.A OG ASP 626.A OD1 no hydrogen 2.726 N/A ASP 626.A N LYS 619.A O no hydrogen 2.935 N/A CYS 627.A N GLY 624.A O no hydrogen 2.907 N/A LYS 630.A N ASP 626.A O no hydrogen 3.244 N/A LYS 630.A NZ ASP 626.A OD2 no hydrogen 3.485 N/A PHE 631.A N ASP 626.A O no hydrogen 3.107 N/A LEU 633.A N PHE 620.A O no hydrogen 2.971 N/A SER 636.A OG ASP 645.A OD1 no hydrogen 2.550 N/A SER 636.A OG ASP 645.A OD2 no hydrogen 3.127 N/A THR 638.A OG1 GLU 637.A O no hydrogen 2.618 N/A ASN 640.A N ASP 645.A OD2 no hydrogen 3.054 N/A LEU 641.A N SER 636.A OG no hydrogen 3.207 N/A LEU 642.A N GLU 354.A OE2 no hydrogen 2.651 N/A ASN 644.A N GLU 413.A OE2 no hydrogen 2.918 N/A ASN 644.A ND2 GLU 413.A OE1 no hydrogen 2.603 N/A ASN 644.A ND2 HIS 597.A ND1 no hydrogen 3.097 N/A ASP 645.A N ASN 640.A OD1 no hydrogen 2.798 N/A THR 647.A N ASN 644.A O no hydrogen 2.990 N/A THR 647.A OG1 ASN 644.A O no hydrogen 2.866 N/A GLU 648.A N ASN 414.A O no hydrogen 2.708 N/A LEU 650.A N GLN 617.A OE1 no hydrogen 2.711 N/A ALA 651.A N ALA 412.A O no hydrogen 2.752 N/A ARG 652.A N VAL 428.A O no hydrogen 3.145 N/A ARG 652.A NE ASP 429.A OD1 no hydrogen 3.117 N/A ARG 652.A NH2 ASP 429.A OD2 no hydrogen 3.449 N/A HIS 654.A NE2 ASP 429.A O no hydrogen 2.882 N/A LYS 656.A N LEU 653.A O no hydrogen 3.247 N/A THR 657.A N GLY 655.A O no hydrogen 2.677 N/A LYS 661.A N THR 658.A OG1 no hydrogen 3.372 N/A TYR 662.A N THR 658.A O no hydrogen 2.896 N/A TYR 662.A OH ASN 596.A O no hydrogen 2.756 N/A LEU 663.A N TYR 659.A O no hydrogen 2.850 N/A GLY 664.A N GLU 660.A O no hydrogen 2.951 N/A GLN 666.A N GLN 666.A OE1 no hydrogen 2.845 N/A VAL 668.A N GLY 664.A O no hydrogen 3.043 N/A ALA 669.A N PRO 665.A O no hydrogen 3.109 N/A GLY 670.A N GLN 666.A O no hydrogen 3.005 N/A ILE 671.A N TYR 667.A O no hydrogen 3.072 N/A THR 672.A N VAL 668.A O no hydrogen 2.971 N/A THR 672.A OG1 VAL 668.A O no hydrogen 2.621 N/A ASN 673.A N ALA 669.A O no hydrogen 3.065 N/A ASN 673.A ND2 ALA 669.A O no hydrogen 3.315 N/A LEU 674.A N GLY 670.A O no hydrogen 3.263 N/A LYS 675.A N ILE 671.A O no hydrogen 2.954 N/A LYS 675.A NZ ASP 464.A OD1 no hydrogen 3.269 N/A LYS 676.A N ASN 673.A O no hydrogen 3.103 N/A CYS 677.A N LEU 674.A O no hydrogen 3.348 N/A SER 678.A N LYS 675.A O no hydrogen 3.171 N/A SER 680.A OG GLU 378.A OE2 no hydrogen 3.334 N/A LEU 683.A N SER 680.A OG no hydrogen 3.210 N/A GLU 684.A N SER 680.A O no hydrogen 3.156 N/A ALA 685.A N PRO 681.A O no hydrogen 2.821 N/A CYS 686.A N LEU 682.A O no hydrogen 2.899 N/A CYS 686.A SG LEU 682.A O no hydrogen 3.444 N/A GLU 687.A N LEU 683.A O no hydrogen 3.106 N/A PHE 688.A N GLU 684.A O no hydrogen 3.377 N/A LEU 689.A N ALA 685.A O no hydrogen 3.104 N/A ARG 690.A N CYS 686.A O no hydrogen 3.198 N/A