Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nyn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N LEU 2.A O no hydrogen 2.826 N/A ALA 7.A N GLU 3.A O no hydrogen 3.027 N/A ASN 8.A N ASN 4.A O no hydrogen 3.205 N/A THR 9.A N ILE 5.A O no hydrogen 3.079 N/A THR 9.A OG1 ILE 5.A O no hydrogen 2.606 N/A VAL 10.A N VAL 6.A O no hydrogen 3.002 N/A LEU 11.A N ALA 7.A O no hydrogen 3.124 N/A LEU 12.A N ASN 8.A O no hydrogen 3.123 N/A LYS 13.A N THR 9.A O no hydrogen 3.064 N/A ALA 14.A N VAL 10.A O no hydrogen 3.035 N/A ARG 15.A N LEU 11.A O no hydrogen 2.947 N/A ARG 15.A NH1 PRO 465.A O no hydrogen 3.149 N/A ARG 15.A NH1 ALA 467.A O no hydrogen 2.943 N/A GLU 16.A N LEU 12.A O no hydrogen 2.799 N/A GLY 17.A N LYS 13.A O no hydrogen 3.088 N/A GLY 24.A N ARG 22.A O no hydrogen 2.687 N/A SER 26.A N ARG 205.A O no hydrogen 3.051 N/A TRP 29.A N SER 26.A O no hydrogen 3.042 N/A ARG 30.A NH2 GLU 519.A OE2 no hydrogen 2.886 N/A MET 32.A N LYS 28.A O no hydrogen 3.222 N/A LEU 33.A N TRP 29.A O no hydrogen 2.906 N/A GLN 34.A N GLN 31.A O no hydrogen 3.153 N/A HIS 37.A N GLN 40.A OE1 no hydrogen 2.829 N/A CYS 41.A N ILE 38.A O no hydrogen 2.814 N/A CYS 41.A SG HIS 37.A O no hydrogen 3.700 N/A GLU 42.A N SER 39.A O no hydrogen 3.427 N/A ARG 45.A N CYS 41.A O no hydrogen 2.851 N/A ARG 45.A NE GLU 42.A OE2 no hydrogen 3.363 N/A LEU 46.A N GLU 42.A O no hydrogen 3.141 N/A SER 47.A N GLU 43.A O no hydrogen 3.254 N/A SER 47.A OG GLU 43.A O no hydrogen 3.096 N/A LEU 48.A N LEU 44.A O no hydrogen 3.123 N/A LEU 48.A N ARG 45.A O no hydrogen 3.032 N/A HIS 53.A ND1 GLU 57.A OE1 no hydrogen 2.854 N/A SER 54.A N ASP 51.A O no hydrogen 2.694 N/A LEU 55.A N ASP 51.A O no hydrogen 2.852 N/A CYS 56.A N TYR 52.A O no hydrogen 2.817 N/A ARG 58.A N HIS 53.A O no hydrogen 2.993 N/A GLN 59.A NE2 SER 54.A O no hydrogen 3.550 N/A ILE 61.A N GLN 508.A OE1 no hydrogen 3.323 N/A ARG 63.A N GLN 59.A O no hydrogen 2.683 N/A LEU 64.A N PRO 60.A O no hydrogen 2.746 N/A LEU 65.A N ILE 61.A O no hydrogen 2.740 N/A PHE 66.A N GLY 62.A O no hydrogen 3.041 N/A ARG 67.A N ARG 63.A O no hydrogen 2.801 N/A ARG 67.A NH2 ASP 84.A OD1 no hydrogen 2.732 N/A GLU 68.A N LEU 64.A O no hydrogen 2.650 N/A PHE 69.A N LEU 65.A O no hydrogen 2.907 N/A CYS 70.A N PHE 66.A O no hydrogen 2.797 N/A CYS 70.A SG PHE 66.A O no hydrogen 3.253 N/A ALA 71.A N ARG 67.A O no hydrogen 3.032 N/A ALA 71.A N GLU 68.A O no hydrogen 3.075 N/A THR 72.A N PHE 69.A O no hydrogen 3.020 N/A THR 72.A OG1 PHE 69.A O no hydrogen 2.865 N/A ARG 73.A N CYS 70.A O no hydrogen 3.192 N/A ARG 73.A NE GLU 75.A OE2 no hydrogen 3.420 N/A ARG 73.A NH1 ASP 159.A OD2 no hydrogen 2.988 N/A ARG 73.A NH2 GLU 75.A OE2 no hydrogen 3.482 N/A GLU 75.A N GLU 75.A OE1 no hydrogen 2.777 N/A SER 77.A N ARG 73.A O no hydrogen 2.819 N/A ARG 78.A N PRO 74.A O no hydrogen 2.922 N/A ARG 78.A NH1 PRO 114.A O no hydrogen 3.397 N/A CYS 79.A SG GLU 75.A O no hydrogen 3.576 N/A VAL 80.A N LEU 76.A O no hydrogen 3.182 N/A ALA 81.A N SER 77.A O no hydrogen 3.088 N/A PHE 82.A N ARG 78.A O no hydrogen 2.988 N/A LEU 83.A N CYS 79.A O no hydrogen 2.941 N/A ASP 84.A N VAL 80.A O no hydrogen 2.947 N/A GLY 85.A N ALA 81.A O no hydrogen 2.885 N/A VAL 86.A N PHE 82.A O no hydrogen 3.059 N/A ALA 87.A N LEU 83.A O no hydrogen 3.056 N/A GLU 88.A N ASP 84.A O no hydrogen 3.114 N/A TYR 89.A N GLY 85.A O no hydrogen 2.755 N/A TYR 89.A OH CYS 137.A O no hydrogen 3.082 N/A GLU 90.A N VAL 86.A O no hydrogen 2.765 N/A VAL 91.A N GLU 88.A O no hydrogen 2.785 N/A THR 92.A N TYR 89.A O no hydrogen 2.900 N/A THR 92.A OG1 GLU 88.A O no hydrogen 2.739 N/A THR 92.A OG1 TYR 89.A O no hydrogen 3.230 N/A ARG 97.A N ASP 94.A O no hydrogen 3.307 N/A ARG 97.A NE THR 92.A O no hydrogen 3.502 N/A ARG 97.A NH1 PRO 136.A O no hydrogen 3.042 N/A CYS 100.A N LYS 96.A O no hydrogen 3.074 N/A GLY 101.A N ARG 97.A O no hydrogen 2.617 N/A ARG 102.A N LYS 98.A O no hydrogen 3.115 N/A THR 105.A N GLY 101.A O no hydrogen 3.223 N/A THR 105.A OG1 GLY 101.A O no hydrogen 2.896 N/A GLN 106.A N ARG 102.A O no hydrogen 2.753 N/A ASN 107.A N GLN 103.A O no hydrogen 2.949 N/A PHE 108.A N LEU 104.A O no hydrogen 2.788 N/A LEU 109.A N THR 105.A O no hydrogen 3.140 N/A VAL 125.A N ARG 122.A O no hydrogen 2.941 N/A THR 126.A N ARG 122.A O no hydrogen 3.404 N/A ASN 127.A N GLN 123.A O no hydrogen 3.406 N/A CYS 128.A SG LEU 140.A O no hydrogen 3.707 N/A THR 129.A OG1 VAL 125.A O no hydrogen 3.459 N/A GLN 130.A N THR 126.A O no hydrogen 3.264 N/A ARG 131.A N ASN 127.A O no hydrogen 2.720 N/A LEU 132.A N CYS 128.A O no hydrogen 2.736 N/A GLY 135.A N ARG 131.A O no hydrogen 3.412 N/A CYS 137.A SG GLY 135.A O no hydrogen 4.017 N/A THR 145.A N PHE 141.A O no hydrogen 2.932 N/A ARG 146.A N GLN 142.A O no hydrogen 3.009 N/A ARG 146.A NH1 GLU 143.A OE1 no hydrogen 2.753 N/A LEU 147.A N GLU 143.A O no hydrogen 3.333 N/A THR 148.A N LEU 144.A O no hydrogen 2.821 N/A THR 148.A OG1 LEU 144.A O no hydrogen 3.014 N/A HIS 149.A N THR 145.A O no hydrogen 3.064 N/A GLU 150.A N ARG 146.A O no hydrogen 3.062 N/A TYR 151.A N LEU 147.A O no hydrogen 2.917 N/A LEU 152.A N THR 148.A O no hydrogen 2.935 N/A SER 153.A N HIS 149.A O no hydrogen 2.900 N/A SER 153.A OG HIS 149.A O no hydrogen 3.316 N/A SER 153.A OG GLU 150.A O no hydrogen 3.390 N/A VAL 154.A N TYR 151.A O no hydrogen 3.256 N/A PHE 157.A N LEU 152.A O no hydrogen 2.998 N/A ALA 158.A N VAL 154.A O no hydrogen 3.160 N/A ASP 159.A N ALA 155.A O no hydrogen 2.705 N/A TYR 160.A N PRO 156.A O no hydrogen 2.923 N/A LEU 161.A N PHE 157.A O no hydrogen 2.868 N/A ASP 162.A N ALA 158.A O no hydrogen 3.013 N/A SER 163.A N TYR 160.A O no hydrogen 2.540 N/A SER 163.A OG TYR 160.A O no hydrogen 2.858 N/A TYR 165.A N SER 163.A OG no hydrogen 2.886 N/A PHE 166.A N SER 163.A O no hydrogen 3.235 N/A ASN 167.A N SER 163.A O no hydrogen 3.481 N/A ARG 168.A N ILE 164.A O no hydrogen 2.924 N/A ARG 168.A NE ASN 521.A O no hydrogen 2.998 N/A ARG 168.A NE ASN 521.A OD1 no hydrogen 3.463 N/A ARG 168.A NH1 GLN 171.A OE1 no hydrogen 3.326 N/A ARG 168.A NH2 ASN 521.A O no hydrogen 2.698 N/A ARG 168.A NH2 VAL 522.A O no hydrogen 3.561 N/A PHE 169.A N TYR 165.A O no hydrogen 2.906 N/A LEU 170.A N PHE 166.A O no hydrogen 2.700 N/A GLN 171.A N ASN 167.A O no hydrogen 3.090 N/A GLN 171.A NE2 PRO 36.A O no hydrogen 3.316 N/A TRP 172.A N ARG 168.A O no hydrogen 2.827 N/A TRP 172.A NE1 ASN 521.A OD1 no hydrogen 3.037 N/A LYS 173.A N PHE 169.A O no hydrogen 2.819 N/A LYS 173.A NZ GLN 59.A OE1 no hydrogen 2.789 N/A LYS 173.A NZ GLU 176.A OE2 no hydrogen 2.556 N/A TRP 174.A N LEU 170.A O no hydrogen 2.781 N/A LEU 175.A N GLN 171.A O no hydrogen 3.120 N/A GLU 176.A N TRP 172.A O no hydrogen 3.389 N/A ARG 177.A N LYS 173.A O no hydrogen 3.026 N/A ARG 177.A N TRP 174.A O no hydrogen 3.021 N/A GLN 178.A N TRP 174.A O no hydrogen 3.202 N/A GLN 178.A N LEU 175.A O no hydrogen 3.044 N/A GLN 178.A NE2 TRP 174.A O no hydrogen 3.362 N/A THR 181.A N THR 184.A OG1 no hydrogen 3.245 N/A THR 184.A N THR 181.A O no hydrogen 2.732 N/A THR 184.A OG1 THR 181.A O no hydrogen 3.069 N/A PHE 185.A N LYS 182.A O no hydrogen 3.222 N/A ARG 186.A N GLN 203.A O no hydrogen 2.651 N/A ARG 186.A NH1 GLY 24.A O no hydrogen 2.672 N/A ARG 186.A NH1 GLN 203.A OE1 no hydrogen 2.976 N/A ARG 186.A NH2 GLY 24.A O no hydrogen 3.261 N/A TYR 188.A N ALA 201.A O no hydrogen 3.118 N/A TYR 188.A OH GLN 203.A OE1 no hydrogen 2.720 N/A ARG 189.A NH1 LYS 471.A O no hydrogen 3.444 N/A ARG 189.A NH2 ASN 8.A OD1 no hydrogen 3.192 N/A ARG 189.A NH2 LYS 471.A O no hydrogen 2.793 N/A LEU 191.A N VAL 199.A O no hydrogen 2.630 N/A LYS 193.A NZ GLU 477.A OE1 no hydrogen 3.447 N/A GLY 194.A N GLY 197.A O no hydrogen 2.602 N/A VAL 199.A N GLY 192.A O no hydrogen 3.103 N/A CYS 200.A N CYS 213.A O no hydrogen 3.213 N/A CYS 200.A SG GLN 187.A OE1 no hydrogen 3.270 N/A CYS 200.A SG ALA 201.A O no hydrogen 3.511 N/A CYS 202.A N TYR 211.A O no hydrogen 2.849 N/A CYS 202.A SG TYR 211.A O no hydrogen 3.149 N/A GLN 203.A N ARG 186.A O no hydrogen 2.881 N/A GLN 203.A NE2 GLY 208.A O no hydrogen 2.971 N/A VAL 204.A N LYS 209.A O no hydrogen 3.026 N/A ARG 205.A N THR 184.A O no hydrogen 2.839 N/A ARG 205.A NH1 ASN 183.A O no hydrogen 2.867 N/A THR 207.A OG1 GLU 510.A OE2 no hydrogen 2.552 N/A GLY 208.A N VAL 204.A O no hydrogen 2.679 N/A LYS 209.A N THR 207.A OG1 no hydrogen 3.321 N/A LYS 209.A NZ GLU 513.A OE1 no hydrogen 2.920 N/A LYS 209.A NZ GLU 513.A OE2 no hydrogen 3.256 N/A TYR 211.A N CYS 202.A O no hydrogen 2.891 N/A TYR 211.A OH GLU 510.A OE1 no hydrogen 2.762 N/A ALA 212.A N LEU 262.A O no hydrogen 2.745 N/A CYS 213.A N CYS 200.A O no hydrogen 2.737 N/A CYS 213.A SG TYR 252.A OH no hydrogen 3.845 N/A LYS 214.A N LEU 260.A O no hydrogen 2.737 N/A LYS 214.A NZ GLU 233.A OE1 no hydrogen 2.971 N/A LYS 214.A NZ GLU 233.A OE2 no hydrogen 2.766 N/A LYS 214.A NZ ASP 328.A OD1 no hydrogen 2.937 N/A LYS 215.A N GLU 198.A O no hydrogen 2.910 N/A LYS 215.A NZ GLN 187.A OE1 no hydrogen 2.815 N/A LEU 216.A N LEU 258.A O no hydrogen 2.740 N/A GLU 217.A N PHE 196.A O no hydrogen 2.905 N/A LYS 218.A N ASP 256.A O no hydrogen 2.806 N/A LYS 218.A NZ GLU 253.A OE2 no hydrogen 2.935 N/A LYS 218.A NZ THR 254.A O no hydrogen 2.684 N/A ILE 221.A N GLU 217.A O no hydrogen 3.102 N/A LYS 222.A N LYS 218.A O no hydrogen 3.413 N/A LYS 222.A NZ ASP 491.A OD2 no hydrogen 2.994 N/A LYS 223.A N LYS 219.A O no hydrogen 3.033 N/A ARG 224.A N ARG 220.A O no hydrogen 3.302 N/A LYS 225.A N LYS 222.A O no hydrogen 3.009 N/A GLY 226.A N ILE 221.A O no hydrogen 2.919 N/A ALA 230.A N GLY 226.A O no hydrogen 3.247 N/A LEU 231.A N GLU 227.A O no hydrogen 3.146 N/A ASN 232.A N ALA 228.A O no hydrogen 2.887 N/A GLU 233.A N MET 229.A O no hydrogen 3.205 N/A LYS 234.A N ALA 230.A O no hydrogen 3.199 N/A LYS 234.A NZ GLU 238.A OE1 no hydrogen 3.446 N/A LYS 234.A NZ GLU 238.A OE2 no hydrogen 3.388 N/A LYS 234.A NZ THR 500.A OG1 no hydrogen 2.514 N/A GLN 235.A N LEU 231.A O no hydrogen 2.921 N/A ILE 236.A N ASN 232.A O no hydrogen 2.900 N/A LEU 237.A N GLU 233.A O no hydrogen 3.021 N/A GLU 238.A N LYS 234.A O no hydrogen 2.795 N/A LYS 239.A N ILE 236.A O no hydrogen 2.865 N/A VAL 240.A N ILE 236.A O no hydrogen 3.047 N/A SER 242.A OG ASP 300.A OD2 no hydrogen 3.009 N/A ARG 243.A NE GLY 453.A O no hydrogen 3.006 N/A PHE 244.A N SER 242.A OG no hydrogen 2.644 N/A VAL 246.A N ILE 326.A O no hydrogen 3.062 N/A SER 247.A N THR 263.A OG1 no hydrogen 3.288 N/A SER 247.A OG THR 263.A OG1 no hydrogen 3.002 N/A ALA 249.A N VAL 261.A O no hydrogen 2.968 N/A TYR 250.A OH GLU 510.A OE1 no hydrogen 2.581 N/A TYR 250.A OH GLU 510.A OE2 no hydrogen 3.355 N/A ALA 251.A N GLY 501.A O no hydrogen 3.373 N/A TYR 252.A N CYS 259.A O no hydrogen 3.387 N/A THR 254.A N ALA 257.A O no hydrogen 2.723 N/A THR 254.A OG1 ALA 257.A O no hydrogen 3.151 N/A ALA 257.A N THR 254.A OG1 no hydrogen 3.012 N/A LEU 258.A N LEU 216.A O no hydrogen 2.845 N/A CYS 259.A N TYR 252.A O no hydrogen 2.915 N/A LEU 260.A N LYS 214.A O no hydrogen 2.885 N/A VAL 261.A N TYR 250.A O no hydrogen 3.079 N/A LEU 262.A N ALA 212.A O no hydrogen 2.625 N/A THR 263.A N SER 247.A O no hydrogen 3.037 N/A THR 263.A OG1 SER 247.A OG no hydrogen 3.002 N/A ASN 266.A ND2 ASP 320.A OD2 no hydrogen 3.270 N/A GLY 267.A N LEU 318.A O no hydrogen 2.885 N/A GLY 268.A N MET 265.A O no hydrogen 3.314 N/A LEU 270.A N ILE 316.A O no hydrogen 2.981 N/A PHE 272.A N ASP 269.A OD2 no hydrogen 2.775 N/A HIS 273.A N ASP 269.A O no hydrogen 3.348 N/A HIS 273.A NE2 GLY 267.A O no hydrogen 2.743 N/A ILE 274.A N LEU 270.A O no hydrogen 3.002 N/A TYR 275.A N LYS 271.A O no hydrogen 3.319 N/A TYR 275.A OH GLU 376.A OE1 no hydrogen 2.632 N/A GLY 281.A N ILE 274.A O no hydrogen 3.145 N/A PHE 282.A N MET 377.A O no hydrogen 2.986 N/A ARG 286.A NE TYR 290.A OH no hydrogen 3.114 N/A ARG 286.A NH2 HIS 273.A ND1 no hydrogen 3.509 N/A ARG 286.A NH2 TYR 290.A OH no hydrogen 3.311 N/A ALA 287.A N PRO 283.A O no hydrogen 3.042 N/A VAL 288.A N GLU 284.A O no hydrogen 2.871 N/A PHE 289.A N ALA 285.A O no hydrogen 3.131 N/A TYR 290.A N ARG 286.A O no hydrogen 3.252 N/A ALA 291.A N ALA 287.A O no hydrogen 3.115 N/A ALA 292.A N VAL 288.A O no hydrogen 2.818 N/A GLU 293.A N PHE 289.A O no hydrogen 2.913 N/A ILE 294.A N TYR 290.A O no hydrogen 2.637 N/A CYS 295.A N ALA 291.A O no hydrogen 2.875 N/A CYS 296.A N ALA 292.A O no hydrogen 3.144 N/A CYS 296.A SG ALA 292.A O no hydrogen 3.177 N/A GLY 297.A N GLU 293.A O no hydrogen 2.922 N/A LEU 298.A N ILE 294.A O no hydrogen 3.039 N/A GLU 299.A N CYS 295.A O no hydrogen 2.787 N/A ASP 300.A N CYS 296.A O no hydrogen 2.833 N/A LEU 301.A N GLY 297.A O no hydrogen 2.991 N/A HIS 302.A N LEU 298.A O no hydrogen 2.818 N/A HIS 302.A NE2 ASP 366.A OD2 no hydrogen 2.790 N/A ARG 303.A N GLU 299.A O no hydrogen 2.868 N/A GLU 304.A N ASP 300.A O no hydrogen 3.399 N/A GLU 304.A N LEU 301.A O no hydrogen 2.811 N/A ARG 305.A N HIS 302.A O no hydrogen 2.502 N/A ARG 305.A NE VAL 335.A O no hydrogen 2.771 N/A ARG 305.A NH2 VAL 335.A O no hydrogen 2.864 N/A ARG 305.A NH2 PRO 336.A O no hydrogen 3.076 N/A ILE 306.A N LEU 301.A O no hydrogen 3.052 N/A VAL 307.A N VAL 333.A O no hydrogen 3.000 N/A TYR 308.A N ASP 366.A OD2 no hydrogen 2.932 N/A TYR 308.A OH SER 327.A O no hydrogen 2.455 N/A ARG 309.A N ASP 366.A OD1 no hydrogen 2.878 N/A ARG 309.A NE LEU 331.A O no hydrogen 2.947 N/A ARG 309.A NH1 TYR 361.A OH no hydrogen 3.146 N/A ARG 309.A NH2 LEU 331.A O no hydrogen 2.943 N/A GLU 314.A N GLU 314.A OE1 no hydrogen 2.708 N/A ASN 315.A N LYS 312.A O no hydrogen 2.978 N/A ASN 315.A ND2 ASP 310.A O no hydrogen 3.112 N/A ILE 316.A N PRO 313.A O no hydrogen 3.117 N/A LEU 317.A N ARG 325.A O no hydrogen 3.201 N/A LEU 318.A N GLY 268.A O no hydrogen 2.764 N/A ASP 319.A N HIS 323.A O no hydrogen 2.713 N/A GLY 322.A N ASP 319.A O no hydrogen 2.875 N/A HIS 323.A N ASP 319.A OD1 no hydrogen 2.437 N/A HIS 323.A ND1 GLU 293.A OE2 no hydrogen 2.711 N/A ILE 324.A N GLU 293.A OE1 no hydrogen 2.829 N/A ARG 325.A N LEU 317.A O no hydrogen 3.040 N/A ARG 325.A NH1 SER 242.A O no hydrogen 3.278 N/A ARG 325.A NH1 VAL 245.A O no hydrogen 2.957 N/A ILE 326.A N PHE 244.A O no hydrogen 2.757 N/A SER 327.A OG ASN 315.A O no hydrogen 2.668 N/A LEU 329.A N GLU 233.A OE2 no hydrogen 3.404 N/A ALA 332.A N LEU 329.A O no hydrogen 3.153 N/A VAL 333.A N VAL 307.A O no hydrogen 3.004 N/A VAL 335.A N ARG 305.A O no hydrogen 2.859 N/A GLN 339.A N PRO 336.A O no hydrogen 3.316 N/A ILE 341.A N TYR 361.A O no hydrogen 2.899 N/A THR 347.A OG1 ASP 310.A OD1 no hydrogen 2.901 N/A TYR 350.A N THR 347.A O no hydrogen 3.042 N/A TYR 350.A OH GLU 376.A OE1 no hydrogen 3.408 N/A TYR 350.A OH GLU 376.A OE2 no hydrogen 2.568 N/A MET 351.A N THR 347.A O no hydrogen 3.238 N/A GLU 354.A N GLU 354.A OE2 no hydrogen 2.543 N/A VAL 355.A N ALA 352.A O no hydrogen 3.218 N/A VAL 356.A N ALA 352.A O no hydrogen 3.126 N/A LYS 357.A N PRO 353.A O no hydrogen 2.754 N/A ASN 358.A N VAL 355.A O no hydrogen 2.896 N/A GLU 359.A N GLU 354.A O no hydrogen 2.871 N/A TYR 361.A N ILE 341.A O no hydrogen 2.843 N/A TYR 361.A OH GLY 343.A O no hydrogen 2.641 N/A PHE 363.A N THR 362.A OG1 no hydrogen 2.683 N/A ASP 366.A N PHE 363.A O no hydrogen 3.159 N/A TRP 368.A N SER 364.A O no hydrogen 3.257 N/A ALA 369.A N PRO 365.A O no hydrogen 3.148 N/A LEU 370.A N ASP 366.A O no hydrogen 2.869 N/A GLY 371.A N TRP 367.A O no hydrogen 3.193 N/A CYS 372.A N TRP 368.A O no hydrogen 3.002 N/A CYS 372.A SG TRP 368.A O no hydrogen 3.576 N/A LEU 373.A N ALA 369.A O no hydrogen 2.849 N/A LEU 374.A N LEU 370.A O no hydrogen 2.744 N/A TYR 375.A N GLY 371.A O no hydrogen 2.756 N/A TYR 375.A OH GLU 403.A O no hydrogen 2.714 N/A GLU 376.A N CYS 372.A O no hydrogen 2.746 N/A MET 377.A N LEU 373.A O no hydrogen 2.897 N/A ALA 379.A N TYR 375.A O no hydrogen 2.895 N/A GLY 380.A N GLU 376.A O no hydrogen 3.027 N/A GLN 381.A NE2 GLN 385.A O no hydrogen 3.274 N/A GLN 385.A NE2 LYS 386.A O no hydrogen 3.140 N/A VAL 393.A N LYS 389.A O no hydrogen 3.496 N/A GLU 394.A N ARG 390.A O no hydrogen 3.228 N/A ARG 395.A N GLU 391.A O no hydrogen 3.176 N/A ARG 395.A NE GLU 392.A OE2 no hydrogen 3.401 N/A ARG 395.A NH2 GLU 392.A OE2 no hydrogen 3.067 N/A LEU 396.A N GLU 392.A O no hydrogen 2.994 N/A VAL 397.A N VAL 393.A O no hydrogen 2.824 N/A LYS 398.A N GLU 394.A O no hydrogen 2.851 N/A GLU 399.A N ARG 395.A O no hydrogen 3.181 N/A GLU 402.A N GLU 402.A OE1 no hydrogen 2.727 N/A ARG 407.A N SER 405.A OG no hydrogen 3.387 N/A ARG 407.A NH1 ALA 280.A O no hydrogen 3.344 N/A ARG 407.A NH1 ILE 378.A O no hydrogen 3.262 N/A SER 409.A OG GLU 284.A OE1 no hydrogen 3.454 N/A SER 409.A OG GLU 284.A OE2 no hydrogen 2.903 N/A ALA 412.A N SER 409.A OG no hydrogen 3.183 N/A ARG 413.A N SER 409.A O no hydrogen 3.269 N/A ARG 413.A N PRO 410.A O no hydrogen 3.289 N/A SER 414.A OG GLN 411.A O no hydrogen 2.643 N/A SER 414.A OG GLN 411.A OE1 no hydrogen 3.246 N/A SER 414.A OG HIS 441.A NE2 no hydrogen 2.920 N/A LEU 415.A N GLN 411.A O no hydrogen 3.270 N/A CYS 416.A SG ALA 412.A O no hydrogen 3.262 N/A SER 417.A N ARG 413.A O no hydrogen 2.914 N/A GLN 418.A N SER 414.A O no hydrogen 2.792 N/A GLN 418.A NE2 SER 414.A O no hydrogen 3.066 N/A LEU 419.A N LEU 415.A O no hydrogen 2.816 N/A LEU 420.A N CYS 416.A O no hydrogen 2.782 N/A CYS 421.A SG ASP 423.A O no hydrogen 3.299 N/A LYS 422.A NZ VAL 397.A O no hydrogen 2.923 N/A LYS 422.A NZ VAL 400.A O no hydrogen 3.018 N/A ALA 425.A N ASP 423.A OD1 no hydrogen 3.348 N/A GLU 426.A N ASP 423.A O no hydrogen 3.137 N/A ARG 427.A N PRO 424.A O no hydrogen 3.319 N/A ARG 427.A NE CYS 421.A O no hydrogen 2.999 N/A ARG 427.A NH1 GLU 354.A OE1 no hydrogen 2.863 N/A ARG 427.A NH1 SER 364.A O no hydrogen 3.192 N/A ARG 427.A NH2 GLU 354.A OE2 no hydrogen 2.957 N/A ARG 427.A NH2 LYS 422.A O no hydrogen 3.555 N/A LEU 428.A N GLN 418.A O no hydrogen 3.145 N/A GLY 429.A N GLU 437.A OE1 no hydrogen 2.480 N/A CYS 430.A N ARG 427.A O no hydrogen 3.120 N/A ARG 431.A N GLU 437.A OE1 no hydrogen 3.423 N/A ARG 431.A NE GLU 426.A O no hydrogen 3.015 N/A ARG 431.A NH2 GLU 426.A O no hydrogen 3.305 N/A GLU 437.A N SER 434.A O no hydrogen 3.384 N/A LYS 439.A N ALA 435.A O no hydrogen 2.805 N/A LYS 439.A NZ GLU 299.A OE1 no hydrogen 3.140 N/A GLU 440.A N ARG 436.A O no hydrogen 2.908 N/A HIS 441.A N VAL 438.A O no hydrogen 3.309 N/A HIS 441.A NE2 SER 414.A OG no hydrogen 2.920 N/A LEU 443.A N HIS 441.A ND1 no hydrogen 3.002 N/A PHE 444.A N HIS 441.A O no hydrogen 3.166 N/A LYS 445.A N PRO 442.A O no hydrogen 2.966 N/A LYS 450.A NZ GLU 90.A O no hydrogen 3.502 N/A LEU 452.A N ASN 448.A O no hydrogen 3.127 N/A GLY 453.A N PHE 449.A O no hydrogen 3.100 N/A ALA 454.A N ARG 451.A O no hydrogen 2.775 N/A GLY 455.A N LEU 452.A O no hydrogen 2.957 N/A MET 456.A N ARG 451.A O no hydrogen 3.166 N/A ASP 464.A N TYR 469.A OH no hydrogen 2.698 N/A GLN 466.A NE2 GLU 16.A OE1 no hydrogen 3.139 N/A GLN 466.A NE2 GLU 16.A OE2 no hydrogen 3.370 N/A ALA 467.A N ASP 464.A O no hydrogen 2.865 N/A CYS 470.A N ILE 468.A O no hydrogen 2.936 N/A CYS 470.A SG LEU 191.A O no hydrogen 3.906 N/A CYS 470.A SG LYS 471.A O no hydrogen 3.464 N/A ASP 475.A N ASP 472.A O no hydrogen 3.100 N/A GLU 488.A N ASP 491.A OD2 no hydrogen 3.063 N/A ASP 491.A N GLU 488.A O no hydrogen 2.721 N/A ASP 493.A N PRO 489.A O no hydrogen 3.485 N/A TYR 495.A N ASP 491.A O no hydrogen 2.910 N/A GLN 496.A N GLN 492.A O no hydrogen 2.971 N/A LYS 497.A N ASP 493.A O no hydrogen 3.237 N/A PHE 498.A N PHE 494.A O no hydrogen 2.941 N/A ALA 499.A N TYR 495.A O no hydrogen 2.855 N/A THR 500.A N PHE 498.A O no hydrogen 2.729 N/A GLY 501.A N ALA 251.A O no hydrogen 2.888 N/A SER 502.A OG GLU 176.A O no hydrogen 2.749 N/A VAL 503.A N ALA 249.A O no hydrogen 2.832 N/A TRP 507.A N VAL 503.A O no hydrogen 2.793 N/A GLN 508.A N PRO 504.A O no hydrogen 2.897 N/A GLN 508.A NE2 GLN 59.A OE1 no hydrogen 2.557 N/A GLN 508.A NE2 GLU 176.A OE1 no hydrogen 3.072 N/A ASN 509.A N ILE 505.A O no hydrogen 2.983 N/A GLU 510.A N PRO 506.A O no hydrogen 2.846 N/A MET 511.A N TRP 507.A O no hydrogen 3.191 N/A VAL 512.A N GLN 508.A O no hydrogen 3.205 N/A GLU 513.A N ASN 509.A O no hydrogen 2.774 N/A THR 514.A N GLU 510.A O no hydrogen 2.931 N/A THR 514.A OG1 GLU 510.A O no hydrogen 3.213 N/A THR 514.A OG1 MET 511.A O no hydrogen 3.431 N/A GLU 515.A N VAL 512.A O no hydrogen 3.273 N/A CYS 516.A SG THR 514.A O no hydrogen 3.663 N/A CYS 516.A SG THR 514.A OG1 no hydrogen 3.091 N/A PHE 517.A N MET 511.A O no hydrogen 3.085 N/A GLU 519.A N GLU 515.A O no hydrogen 3.044 N/A LEU 520.A N CYS 516.A O no hydrogen 2.888 N/A ASN 521.A N PHE 517.A O no hydrogen 2.570 N/A ASN 521.A ND2 GLU 68.A OE1 no hydrogen 3.359 N/A VAL 522.A N GLN 518.A O no hydrogen 3.427 N/A SER 528.A OG LEU 525.A O no hydrogen 2.704 N/A ASP 534.A N GLN 538.A O no hydrogen 2.557 N/A LYS 536.A NZ ASP 534.A OD2 no hydrogen 2.723 N/A GLY 537.A N ASP 534.A O no hydrogen 2.818 N/A GLN 538.A N ASP 534.A OD1 no hydrogen 3.261 N/A LEU 547.A N LYS 544.A O no hydrogen 3.120 N/A GLN 549.A N LYS 545.A O no hydrogen 3.330 N/A ARG 550.A N GLY 546.A O no hydrogen 3.278 N/A LEU 551.A N LEU 547.A O no hydrogen 2.718 N/A LEU 551.A N LEU 548.A O no hydrogen 3.082 N/A