Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6n8s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLN 781.A OE1 no hydrogen 2.629 N/A LYS 6.A N ARG 2.A O no hydrogen 2.751 N/A LYS 6.A NZ GLU 3.A OE2 no hydrogen 2.797 N/A ARG 7.A N GLU 3.A O no hydrogen 3.058 N/A ASP 8.A N ARG 4.A O no hydrogen 3.371 N/A LEU 9.A N LYS 6.A O no hydrogen 3.272 N/A PHE 10.A N LYS 6.A O no hydrogen 3.037 N/A GLN 11.A N LEU 820.A O no hydrogen 3.481 N/A ASN 13.A N SER 819.A O no hydrogen 3.099 N/A LYS 14.A NZ CYS 786.A O no hydrogen 3.249 N/A LYS 14.A NZ TYR 808.A OH no hydrogen 2.857 N/A THR 15.A N ARG 817.A O no hydrogen 2.757 N/A THR 15.A OG1 ARG 817.A O no hydrogen 2.990 N/A THR 15.A OG1 VAL 826.A O no hydrogen 3.133 N/A VAL 16.A N THR 15.A OG1 no hydrogen 2.406 N/A HIS 18.A N PHE 815.A O no hydrogen 3.047 N/A PHE 20.A N SER 813.A O no hydrogen 3.221 N/A SER 25.A N GLY 39.A O no hydrogen 2.477 N/A SER 25.A OG GLN 23.A O no hydrogen 3.507 N/A ALA 26.A N GLY 39.A O no hydrogen 3.246 N/A GLY 28.A N ALA 37.A O no hydrogen 2.955 N/A SER 30.A N ILE 35.A O no hydrogen 3.110 N/A SER 32.A OG SER 30.A OG no hydrogen 3.267 N/A LEU 33.A N SER 30.A O no hydrogen 3.227 N/A LEU 33.A N SER 30.A OG no hydrogen 3.343 N/A ARG 34.A N SER 30.A O no hydrogen 2.587 N/A LEU 36.A N TYR 48.A O no hydrogen 2.623 N/A ALA 37.A N GLY 28.A O no hydrogen 2.958 N/A ILE 38.A N LYS 46.A O no hydrogen 2.820 N/A GLY 39.A N ALA 26.A O no hydrogen 3.229 N/A THR 40.A N ALA 44.A O no hydrogen 3.150 N/A THR 40.A OG1 SER 42.A OG no hydrogen 3.046 N/A THR 40.A OG1 ALA 44.A O no hydrogen 3.520 N/A ARG 41.A N GLN 23.A O no hydrogen 3.241 N/A SER 42.A OG THR 40.A OG1 no hydrogen 3.046 N/A GLY 43.A N THR 40.A O no hydrogen 3.448 N/A ALA 44.A N THR 40.A OG1 no hydrogen 3.125 N/A ILE 45.A N GLY 57.A O no hydrogen 3.033 N/A LYS 46.A N ILE 38.A O no hydrogen 2.868 N/A LYS 46.A NZ GLU 17.A OE1 no hydrogen 2.710 N/A LEU 47.A N PHE 55.A O no hydrogen 3.333 N/A TYR 48.A N LEU 36.A O no hydrogen 2.691 N/A GLY 49.A N VAL 53.A O no hydrogen 2.796 N/A ALA 50.A N GLY 410.A O no hydrogen 2.578 N/A VAL 53.A N ALA 50.A O no hydrogen 2.777 N/A PHE 55.A N LEU 47.A O no hydrogen 3.117 N/A GLY 57.A N ILE 45.A O no hydrogen 2.763 N/A HIS 59.A N GLY 43.A O no hydrogen 3.243 N/A HIS 59.A ND1 GLY 43.A O no hydrogen 2.745 N/A HIS 59.A NE2 THR 79.A OG1 no hydrogen 3.101 N/A ASN 62.A ND2 SER 42.A O no hydrogen 3.084 N/A ASN 63.A ND2 ASP 83.A OD2 no hydrogen 3.230 N/A ALA 64.A N ASP 82.A OD1 no hydrogen 3.345 N/A VAL 65.A N THR 40.A O no hydrogen 3.139 N/A THR 66.A N LEU 80.A O no hydrogen 2.836 N/A THR 66.A OG1 LEU 80.A O no hydrogen 2.372 N/A GLN 67.A N LEU 80.A O no hydrogen 3.352 N/A GLN 67.A NE2 THR 122.A O no hydrogen 2.547 N/A HIS 69.A N VAL 78.A O no hydrogen 2.838 N/A HIS 69.A NE2 GLN 67.A OE1 no hydrogen 3.092 N/A LEU 71.A N GLN 76.A O no hydrogen 2.796 N/A GLY 73.A N SER 32.A OG no hydrogen 3.242 N/A LEU 77.A N TRP 89.A O no hydrogen 3.077 N/A VAL 78.A N HIS 69.A O no hydrogen 2.837 N/A THR 79.A N HIS 87.A O no hydrogen 3.074 N/A THR 79.A OG1 HIS 59.A NE2 no hydrogen 3.101 N/A LEU 80.A N GLN 67.A O no hydrogen 3.100 N/A LEU 81.A N SER 85.A O no hydrogen 3.250 N/A ASP 82.A N ALA 64.A O no hydrogen 2.858 N/A ASN 84.A N LEU 81.A O no hydrogen 3.250 N/A ASN 84.A ND2 LEU 108.A O no hydrogen 3.543 N/A ASN 84.A ND2 THR 119.A O no hydrogen 2.857 N/A SER 85.A OG ASP 83.A OD1 no hydrogen 2.476 N/A SER 85.A OG ASP 83.A OD2 no hydrogen 3.335 N/A SER 85.A OG HIS 87.A NE2 no hydrogen 3.058 N/A LEU 86.A N PHE 106.A O no hydrogen 2.581 N/A HIS 87.A N THR 79.A O no hydrogen 3.146 N/A HIS 87.A ND1 GLU 102.A OE2 no hydrogen 2.824 N/A HIS 87.A NE2 SER 85.A OG no hydrogen 3.058 N/A LEU 88.A N GLU 104.A O no hydrogen 2.810 N/A TRP 89.A N LEU 77.A O no hydrogen 2.844 N/A SER 90.A N GLN 101.A O no hydrogen 3.192 N/A SER 90.A OG ASP 103.A OD1 no hydrogen 2.937 N/A SER 90.A OG ASP 103.A OD2 no hydrogen 3.082 N/A LYS 94.A N ALA 97.A O no hydrogen 3.050 N/A SER 98.A N CYS 830.A O no hydrogen 2.826 N/A SER 98.A OG VAL 832.A O no hydrogen 3.502 N/A GLU 99.A N LYS 92.A O no hydrogen 3.278 N/A GLN 101.A N SER 90.A O no hydrogen 3.284 N/A ASP 103.A N LEU 88.A O no hydrogen 2.667 N/A PHE 106.A N LEU 86.A O no hydrogen 2.904 N/A ALA 114.A N PRO 111.A O no hydrogen 3.030 N/A ALA 118.A N ALA 115.A O no hydrogen 3.220 N/A THR 119.A OG1 LEU 108.A O no hydrogen 2.888 N/A THR 119.A OG1 THR 119.A O no hydrogen 2.550 N/A ILE 121.A N ASN 84.A OD1 no hydrogen 2.358 N/A THR 122.A N GLY 136.A O no hydrogen 2.691 N/A THR 122.A OG1 GLY 136.A O no hydrogen 2.943 N/A THR 122.A OG1 VAL 177.A O no hydrogen 2.833 N/A VAL 123.A N GLY 136.A O no hydrogen 3.465 N/A LEU 125.A N TYR 134.A O no hydrogen 2.811 N/A HIS 127.A N LEU 132.A O no hydrogen 3.074 N/A HIS 127.A ND1 SER 129.A OG no hydrogen 3.091 N/A HIS 127.A NE2 PRO 187.A O no hydrogen 2.842 N/A SER 128.A N GLU 182.A OE1 no hydrogen 3.054 N/A SER 128.A OG GLU 182.A OE2 no hydrogen 2.886 N/A SER 129.A N HIS 127.A ND1 no hydrogen 3.191 N/A SER 129.A OG HIS 127.A ND1 no hydrogen 3.091 N/A CYS 130.A N HIS 127.A O no hydrogen 3.021 N/A CYS 130.A SG PRO 72.A O no hydrogen 3.465 N/A CYS 130.A SG SER 128.A O no hydrogen 3.947 N/A LEU 133.A N VAL 145.A O no hydrogen 2.945 N/A TYR 134.A N LEU 125.A O no hydrogen 2.994 N/A LEU 135.A N PHE 143.A O no hydrogen 2.677 N/A GLY 136.A N VAL 123.A O no hydrogen 2.855 N/A THR 137.A OG1 ALA 118.A O no hydrogen 3.558 N/A THR 137.A OG1 SER 139.A OG no hydrogen 3.045 N/A THR 137.A OG1 ASN 141.A O no hydrogen 2.782 N/A GLU 138.A N GLN 120.A O no hydrogen 3.139 N/A SER 139.A OG ALA 118.A O no hydrogen 3.044 N/A SER 139.A OG THR 137.A OG1 no hydrogen 3.045 N/A GLY 140.A N THR 137.A O no hydrogen 3.409 N/A VAL 142.A N ILE 158.A O no hydrogen 2.772 N/A PHE 143.A N LEU 135.A O no hydrogen 2.887 N/A VAL 145.A N LEU 133.A O no hydrogen 3.230 N/A LEU 147.A N GLU 131.A O no hydrogen 3.261 N/A PHE 150.A N GLU 104.A OE1 no hydrogen 3.424 N/A PHE 150.A N GLU 104.A OE2 no hydrogen 3.205 N/A LEU 153.A N VAL 144.A O no hydrogen 2.784 N/A ARG 156.A N LEU 153.A O no hydrogen 3.253 N/A THR 157.A N GLU 154.A O no hydrogen 3.279 N/A THR 157.A OG1 LEU 153.A O no hydrogen 3.413 N/A THR 157.A OG1 GLU 154.A O no hydrogen 3.166 N/A ILE 158.A N VAL 142.A O no hydrogen 2.958 N/A SER 160.A N ASN 141.A OD1 no hydrogen 2.670 N/A ALA 162.A N SER 159.A OG no hydrogen 3.376 N/A LEU 164.A N SER 160.A O no hydrogen 3.174 N/A GLN 165.A N ASP 161.A O no hydrogen 3.095 N/A GLN 165.A N ALA 162.A O no hydrogen 3.268 N/A ARG 166.A N VAL 163.A O no hydrogen 3.263 N/A ARG 166.A NE SER 207.A O no hydrogen 3.029 N/A ARG 166.A NH1 ALA 162.A O no hydrogen 3.209 N/A ARG 166.A NH2 SER 207.A O no hydrogen 3.354 N/A HIS 173.A N ALA 171.A O no hydrogen 2.505 N/A ARG 174.A NH1 SER 160.A OG no hydrogen 2.370 N/A MET 176.A N GLU 138.A O no hydrogen 2.939 N/A VAL 177.A N THR 137.A O no hydrogen 3.045 N/A GLU 178.A N GLY 193.A O no hydrogen 2.828 N/A ALA 179.A N GLY 193.A O no hydrogen 3.210 N/A GLN 181.A N LEU 191.A O no hydrogen 3.219 N/A GLN 181.A NE2 ILE 222.A O no hydrogen 2.285 N/A HIS 183.A N GLN 189.A O no hydrogen 2.991 N/A ARG 185.A N HIS 183.A ND1 no hydrogen 2.979 N/A ARG 185.A NH2 ALA 331.A O no hydrogen 2.359 N/A ASP 186.A N HIS 183.A O no hydrogen 3.346 N/A ASN 188.A N ASP 186.A OD1 no hydrogen 3.358 N/A GLN 189.A N ASP 186.A O no hydrogen 3.253 N/A GLN 189.A NE2 ASP 186.A OD2 no hydrogen 2.664 N/A ILE 190.A N TRP 202.A O no hydrogen 2.978 N/A LEU 191.A N GLN 181.A O no hydrogen 2.761 N/A ILE 192.A N VAL 200.A O no hydrogen 2.896 N/A GLY 193.A N ALA 179.A O no hydrogen 3.006 N/A TYR 194.A N LEU 198.A O no hydrogen 2.587 N/A SER 195.A N GLU 175.A O no hydrogen 3.223 N/A ARG 196.A NE GLU 175.A OE1 no hydrogen 2.883 N/A ARG 196.A NE GLU 175.A OE2 no hydrogen 3.199 N/A ARG 196.A NH2 GLU 175.A OE2 no hydrogen 3.338 N/A GLY 197.A N TYR 194.A O no hydrogen 3.251 N/A VAL 199.A N PHE 213.A O no hydrogen 3.183 N/A VAL 200.A N ILE 192.A O no hydrogen 2.890 N/A ILE 201.A N TYR 211.A O no hydrogen 2.810 N/A TRP 202.A N ILE 190.A O no hydrogen 2.676 N/A ASP 203.A N ARG 208.A O no hydrogen 3.009 N/A LEU 204.A N ASN 188.A O no hydrogen 3.130 N/A GLN 205.A N ASN 188.A OD1 no hydrogen 3.345 N/A GLY 206.A N ASP 203.A OD1 no hydrogen 3.184 N/A SER 207.A N ASP 203.A O no hydrogen 2.865 N/A SER 207.A OG LEU 204.A O no hydrogen 3.542 N/A LEU 210.A N ILE 201.A O no hydrogen 2.941 N/A TYR 211.A OH PRO 244.A O no hydrogen 3.154 N/A PHE 213.A N VAL 199.A O no hydrogen 3.150 N/A SER 215.A N GLY 197.A O no hydrogen 3.225 N/A SER 215.A OG GLY 197.A O no hydrogen 3.456 N/A SER 215.A OG GLN 217.A O no hydrogen 2.934 N/A LEU 219.A N SER 195.A O no hydrogen 2.825 N/A GLU 220.A N CYS 234.A O no hydrogen 2.878 N/A ILE 222.A N ASN 221.A OD1 no hydrogen 2.554 N/A TRP 223.A N VAL 232.A O no hydrogen 3.093 N/A GLN 225.A N LEU 230.A O no hydrogen 2.939 N/A GLN 225.A NE2 ASP 227.A OD1 no hydrogen 2.370 N/A ARG 226.A NE ALA 331.A O no hydrogen 3.207 N/A ARG 226.A NH2 ASP 328.A O no hydrogen 2.309 N/A GLY 228.A N GLN 225.A O no hydrogen 2.995 N/A ARG 229.A N ASP 227.A OD1 no hydrogen 3.443 N/A LEU 231.A N TRP 243.A O no hydrogen 2.835 N/A VAL 232.A N TRP 223.A O no hydrogen 3.080 N/A SER 233.A N CYS 241.A O no hydrogen 3.319 N/A SER 233.A OG HIS 235.A NE2 no hydrogen 2.900 N/A CYS 234.A N ASN 221.A O no hydrogen 3.253 N/A CYS 234.A SG ASN 221.A O no hydrogen 3.436 N/A CYS 234.A SG ILE 269.A O no hydrogen 3.723 N/A HIS 235.A N SER 239.A O no hydrogen 3.110 N/A SER 236.A N GLN 218.A O no hydrogen 2.929 N/A SER 236.A OG GLN 218.A O no hydrogen 3.568 N/A SER 236.A OG GLN 218.A OE1 no hydrogen 2.993 N/A SER 239.A OG ASP 237.A OD1 no hydrogen 2.692 N/A SER 239.A OG ASP 237.A OD2 no hydrogen 3.163 N/A TYR 240.A N LEU 258.A O no hydrogen 3.259 N/A CYS 241.A N SER 233.A O no hydrogen 3.157 N/A CYS 241.A SG HIS 235.A NE2 no hydrogen 3.560 N/A CYS 241.A SG SER 257.A OG no hydrogen 3.165 N/A TRP 243.A N LEU 231.A O no hydrogen 2.733 N/A TRP 243.A NE1 SER 233.A OG no hydrogen 3.091 N/A VAL 245.A N ARG 229.A O no hydrogen 3.058 N/A SER 247.A OG SER 247.A O no hydrogen 2.381 N/A LEU 255.A N GLN 242.A O no hydrogen 2.408 N/A LEU 258.A N TYR 240.A O no hydrogen 3.484 N/A TYR 261.A OH SER 302.A OG no hydrogen 2.937 N/A GLY 262.A N VAL 259.A O no hydrogen 3.400 N/A CYS 266.A SG TYR 261.A O no hydrogen 3.266 N/A CYS 266.A SG PHE 264.A O no hydrogen 3.240 N/A LYS 267.A N MET 290.A O no hydrogen 2.935 N/A ILE 269.A N HIS 235.A O no hydrogen 3.222 N/A THR 270.A N GLN 287.A O no hydrogen 2.981 N/A ARG 271.A NH1 PHE 321.A O no hydrogen 2.762 N/A LEU 273.A N ILE 285.A O no hydrogen 2.664 N/A TRP 274.A NE1 GLN 225.A OE1 no hydrogen 3.186 N/A LEU 275.A N PHE 283.A O no hydrogen 3.229 N/A THR 276.A N ASP 334.A OD2 no hydrogen 2.852 N/A THR 276.A OG1 ASP 334.A OD2 no hydrogen 3.245 N/A THR 277.A OG1 LEU 281.A O no hydrogen 2.470 N/A GLY 280.A N THR 277.A O no hydrogen 3.269 N/A LEU 281.A N THR 277.A OG1 no hydrogen 3.171 N/A PHE 283.A N LEU 275.A O no hydrogen 2.791 N/A THR 284.A N ILE 304.A O no hydrogen 2.902 N/A ILE 285.A N LEU 273.A O no hydrogen 3.096 N/A PHE 286.A N SER 302.A O no hydrogen 3.098 N/A GLN 287.A N ARG 271.A O no hydrogen 2.957 N/A GLY 288.A N CYS 300.A O no hydrogen 3.170 N/A GLY 289.A N ALA 268.A O no hydrogen 3.291 N/A ARG 292.A N PRO 265.A O no hydrogen 2.887 N/A TYR 295.A N PRO 291.A O no hydrogen 2.700 N/A ASP 297.A N ASP 297.A OD1 no hydrogen 2.539 N/A ARG 298.A N TYR 295.A O no hydrogen 3.257 N/A CYS 300.A SG ASP 313.A OD1 no hydrogen 3.307 N/A ILE 301.A N PHE 312.A O no hydrogen 3.225 N/A SER 302.A N PHE 286.A O no hydrogen 2.799 N/A SER 302.A OG TYR 261.A OH no hydrogen 2.937 N/A VAL 303.A N THR 310.A O no hydrogen 3.048 N/A ILE 304.A N THR 284.A O no hydrogen 2.918 N/A HIS 305.A N GLN 308.A O no hydrogen 2.910 N/A GLN 308.A N HIS 305.A O no hydrogen 3.017 N/A GLN 309.A NE2 TYR 261.A OH no hydrogen 3.308 N/A THR 310.A N VAL 303.A O no hydrogen 3.181 N/A ALA 311.A N PRO 461.A O no hydrogen 2.648 N/A PHE 312.A N ILE 301.A O no hydrogen 3.007 N/A ASP 313.A N ARG 463.A O no hydrogen 3.070 N/A PHE 314.A N HIS 299.A O no hydrogen 3.051 N/A THR 315.A OG1 GLU 346.A OE2 no hydrogen 3.484 N/A THR 315.A OG1 PHE 468.A O no hydrogen 2.904 N/A ILE 319.A N LEU 342.A O no hydrogen 2.887 N/A GLY 320.A N LEU 342.A O no hydrogen 3.134 N/A THR 322.A N VAL 340.A O no hydrogen 2.840 N/A LEU 324.A N ALA 338.A O no hydrogen 3.024 N/A GLU 326.A N ASP 335.A O no hydrogen 3.368 N/A ASP 334.A N THR 276.A OG1 no hydrogen 3.221 N/A ASP 335.A N THR 276.A O no hydrogen 2.768 N/A TYR 337.A N LEU 324.A O no hydrogen 3.101 N/A LEU 339.A N ILE 350.A O no hydrogen 2.769 N/A VAL 340.A N THR 322.A O no hydrogen 2.904 N/A VAL 341.A N VAL 348.A O no hydrogen 2.760 N/A LEU 342.A N GLY 320.A O no hydrogen 2.656 N/A ALA 343.A N GLU 346.A O no hydrogen 2.830 N/A GLU 344.A N ARG 317.A O no hydrogen 2.739 N/A VAL 348.A N VAL 341.A O no hydrogen 2.860 N/A ILE 350.A N LEU 339.A O no hydrogen 2.905 N/A ASP 351.A N PRO 358.A O no hydrogen 3.044 N/A LEU 352.A N TYR 337.A O no hydrogen 3.295 N/A GLN 353.A N ASP 351.A OD1 no hydrogen 3.048 N/A THR 354.A OG1 ASP 351.A OD2 no hydrogen 2.867 N/A TRP 357.A N THR 354.A O no hydrogen 3.231 N/A VAL 360.A N VAL 349.A O no hydrogen 2.837 N/A TYR 364.A OH GLY 49.A O no hydrogen 2.502 N/A SER 367.A OG GLU 345.A O no hydrogen 2.777 N/A HIS 369.A NE2 GLU 345.A OE1 no hydrogen 2.322 N/A CYS 370.A N SER 367.A O no hydrogen 3.456 N/A CYS 370.A SG SER 367.A O no hydrogen 3.388 N/A SER 371.A OG ASP 430.A OD1 no hydrogen 2.753 N/A THR 374.A N GLY 427.A O no hydrogen 2.834 N/A THR 374.A OG1 ILE 479.A O no hydrogen 2.255 N/A CYS 375.A SG ILE 479.A O no hydrogen 3.238 N/A HIS 377.A N LEU 425.A O no hydrogen 2.702 N/A VAL 379.A N LEU 423.A O no hydrogen 2.871 N/A ASN 381.A N ASP 422.A OD1 no hydrogen 3.370 N/A ILE 382.A N ARG 421.A O no hydrogen 2.837 N/A TRP 387.A N PRO 383.A O no hydrogen 2.753 N/A GLU 388.A N LEU 384.A O no hydrogen 3.062 N/A ILE 390.A N LEU 386.A O no hydrogen 3.097 N/A ILE 391.A N TRP 387.A O no hydrogen 3.374 N/A ALA 392.A N GLU 388.A O no hydrogen 2.870 N/A ALA 393.A N ARG 389.A O no hydrogen 2.876 N/A GLY 394.A N ILE 390.A O no hydrogen 3.030 N/A SER 395.A N ILE 391.A O no hydrogen 2.987 N/A SER 395.A N ALA 392.A O no hydrogen 3.257 N/A SER 395.A OG ILE 391.A O no hydrogen 3.026 N/A ARG 396.A N ALA 392.A O no hydrogen 3.383 N/A GLN 397.A NE2 LYS 448.A O no hydrogen 3.279 N/A GLN 397.A NE2 GLU 546.A OE2 no hydrogen 3.273 N/A SER 402.A N PRO 359.A O no hydrogen 2.706 N/A SER 402.A OG ASP 351.A OD2 no hydrogen 2.786 N/A MET 404.A N SER 402.A OG no hydrogen 2.973 N/A TRP 406.A NE1 TYR 364.A OH no hydrogen 2.912 N/A ASP 409.A N PRO 407.A O no hydrogen 2.875 N/A THR 412.A N LEU 831.A O no hydrogen 2.716 N/A LEU 414.A N ARG 829.A O no hydrogen 2.768 N/A THR 415.A OG1 SER 413.A OG no hydrogen 3.001 N/A GLN 420.A NE2 ASP 422.A OD1 no hydrogen 2.995 N/A ARG 421.A NE ILE 382.A O no hydrogen 3.113 N/A ARG 421.A NH2 ILE 382.A O no hydrogen 3.441 N/A ASP 422.A N SER 439.A OG no hydrogen 2.496 N/A LEU 423.A N VAL 379.A O no hydrogen 2.866 N/A LEU 424.A N TRP 436.A O no hydrogen 3.295 N/A LEU 425.A N HIS 377.A O no hydrogen 2.612 N/A THR 426.A N ARG 434.A O no hydrogen 3.229 N/A THR 426.A OG1 HIS 428.A NE2 no hydrogen 3.025 N/A THR 426.A OG1 ARG 434.A O no hydrogen 3.472 N/A GLY 427.A N CYS 375.A O no hydrogen 2.735 N/A HIS 428.A N THR 432.A O no hydrogen 3.133 N/A HIS 428.A ND1 SER 371.A O no hydrogen 2.953 N/A HIS 428.A NE2 THR 426.A OG1 no hydrogen 3.025 N/A ASP 430.A N SER 371.A OG no hydrogen 3.054 N/A THR 432.A N ASP 430.A OD1 no hydrogen 3.314 N/A THR 432.A OG1 ASP 430.A OD1 no hydrogen 2.726 N/A VAL 433.A N LEU 449.A O no hydrogen 2.832 N/A ARG 434.A N THR 426.A O no hydrogen 3.268 N/A PHE 435.A N TYR 447.A O no hydrogen 2.751 N/A TRP 436.A N LEU 424.A O no hydrogen 3.142 N/A TRP 436.A NE1 THR 426.A OG1 no hydrogen 2.751 N/A ASP 437.A N ARG 444.A O no hydrogen 2.831 N/A SER 439.A N ASP 437.A OD1 no hydrogen 3.310 N/A SER 439.A OG GLN 420.A O no hydrogen 3.506 N/A SER 439.A OG ASP 422.A O no hydrogen 3.146 N/A SER 439.A OG ASP 437.A OD1 no hydrogen 3.004 N/A LEU 446.A N PHE 435.A O no hydrogen 2.657 N/A LYS 448.A N GLN 397.A OE1 no hydrogen 2.870 N/A LEU 449.A N VAL 433.A O no hydrogen 2.886 N/A THR 451.A N GLY 431.A O no hydrogen 3.010 N/A THR 451.A OG1 GLY 431.A O no hydrogen 2.571 N/A PHE 455.A N VAL 452.A O no hydrogen 3.252 N/A LEU 456.A N ALA 537.A O no hydrogen 2.926 N/A ARG 463.A N ALA 311.A O no hydrogen 3.201 N/A ARG 463.A NH1 GLY 356.A O no hydrogen 2.673 N/A ARG 463.A NH1 TRP 357.A O no hydrogen 2.629 N/A ARG 463.A NH2 TRP 357.A O no hydrogen 2.852 N/A VAL 465.A N ASP 313.A O no hydrogen 3.046 N/A SER 467.A N GLU 346.A OE1 no hydrogen 2.573 N/A PHE 468.A N GLU 346.A OE1 no hydrogen 3.033 N/A ASP 469.A N CYS 370.A O no hydrogen 3.045 N/A TYR 471.A N ASP 469.A OD1 no hydrogen 3.271 N/A SER 472.A OG GLU 429.A OE2 no hydrogen 3.422 N/A ARG 476.A N ASP 474.A OD1 no hydrogen 3.317 N/A ARG 476.A NH2 ASP 474.A OD1 no hydrogen 2.737 N/A ARG 476.A NH2 ASP 474.A OD2 no hydrogen 3.341 N/A LEU 477.A N ASP 474.A O no hydrogen 3.492 N/A GLY 478.A N PRO 475.A O no hydrogen 3.286 N/A ILE 479.A N HIS 428.A O no hydrogen 2.912 N/A GLN 480.A N ALA 494.A O no hydrogen 2.706 N/A GLN 480.A NE2 GLY 478.A O no hydrogen 3.538 N/A GLN 480.A NE2 THR 496.A OG1 no hydrogen 2.855 N/A PHE 483.A N ALA 492.A O no hydrogen 2.827 N/A CYS 485.A N TYR 490.A O no hydrogen 2.964 N/A CYS 485.A SG SER 488.A OG no hydrogen 3.545 N/A CYS 485.A SG SER 570.A OG no hydrogen 2.727 N/A LYS 486.A NZ SER 380.A O no hydrogen 2.851 N/A LYS 486.A NZ ASN 381.A O no hydrogen 3.017 N/A GLY 489.A N CYS 485.A O no hydrogen 3.054 N/A TYR 490.A N SER 488.A OG no hydrogen 3.326 N/A LEU 491.A N LEU 503.A O no hydrogen 2.862 N/A ALA 492.A N PHE 483.A O no hydrogen 2.847 N/A VAL 493.A N LEU 501.A O no hydrogen 2.862 N/A ALA 494.A N LYS 481.A O no hydrogen 2.861 N/A GLY 495.A N GLN 499.A O no hydrogen 2.824 N/A THR 496.A OG1 PRO 475.A O no hydrogen 3.342 N/A THR 496.A OG1 GLY 478.A O no hydrogen 2.783 N/A ALA 497.A N ARG 476.A O no hydrogen 3.320 N/A GLN 499.A N GLN 499.A OE1 no hydrogen 2.527 N/A GLN 499.A NE2 ARG 476.A O no hydrogen 2.873 N/A VAL 500.A N VAL 555.A O no hydrogen 3.038 N/A LEU 501.A N VAL 493.A O no hydrogen 2.851 N/A VAL 502.A N VAL 553.A O no hydrogen 3.476 N/A LEU 503.A N LEU 491.A O no hydrogen 2.504 N/A GLU 504.A N GLN 550.A O no hydrogen 3.149 N/A ASN 506.A N GLY 548.A O no hydrogen 2.741 N/A ASN 506.A ND2 GLN 550.A OE1 no hydrogen 2.883 N/A GLU 508.A N ASN 506.A OD1 no hydrogen 3.223 N/A ALA 510.A N PHE 545.A O no hydrogen 3.256 N/A VAL 517.A N LEU 554.A O no hydrogen 2.702 N/A ALA 519.A N GLN 556.A O no hydrogen 2.879 N/A LEU 521.A N GLN 558.A O no hydrogen 2.536 N/A LEU 522.A N ASP 520.A OD1 no hydrogen 3.224 N/A TRP 530.A NE1 HIS 533.A O no hydrogen 2.581 N/A ARG 539.A N VAL 454.A O no hydrogen 2.843 N/A ARG 539.A NE ARG 453.A O no hydrogen 3.443 N/A VAL 543.A N GLN 512.A O no hydrogen 2.752 N/A ARG 544.A NH1 GLU 511.A OE1 no hydrogen 3.300 N/A PHE 545.A N ALA 510.A O no hydrogen 2.827 N/A GLY 548.A N ASN 506.A O no hydrogen 3.125 N/A PHE 549.A N TYR 447.A OH no hydrogen 3.091 N/A GLN 550.A N GLU 504.A O no hydrogen 2.976 N/A GLN 550.A NE2 GLU 508.A O no hydrogen 3.251 N/A PHE 552.A N VAL 502.A O no hydrogen 3.451 N/A LEU 554.A N GLU 515.A O no hydrogen 2.852 N/A VAL 555.A N VAL 500.A O no hydrogen 2.952 N/A GLN 556.A N VAL 517.A O no hydrogen 2.840 N/A CYS 557.A N GLY 498.A O no hydrogen 2.847 N/A CYS 557.A SG GLY 498.A O no hydrogen 3.362 N/A GLN 558.A N ALA 519.A O no hydrogen 3.092 N/A ALA 561.A N PRO 559.A O no hydrogen 2.764 N/A THR 564.A N GLY 578.A O no hydrogen 2.629 N/A THR 564.A OG1 GLY 578.A O no hydrogen 3.466 N/A THR 564.A OG1 VAL 610.A O no hydrogen 2.219 N/A SER 565.A N GLY 578.A O no hydrogen 3.333 N/A ALA 567.A N ALA 576.A O no hydrogen 2.976 N/A HIS 569.A N LEU 574.A O no hydrogen 2.906 N/A TRP 572.A N HIS 569.A ND1 no hydrogen 3.150 N/A ARG 573.A NE TYR 490.A OH no hydrogen 3.140 N/A LEU 574.A N HIS 569.A O no hydrogen 3.102 N/A VAL 575.A N PHE 586.A O no hydrogen 2.780 N/A ALA 576.A N ALA 567.A O no hydrogen 2.786 N/A PHE 577.A N GLY 584.A O no hydrogen 3.066 N/A GLY 578.A N SER 565.A O no hydrogen 3.224 N/A THR 579.A N GLY 582.A O no hydrogen 2.890 N/A HIS 581.A N THR 579.A OG1 no hydrogen 3.105 N/A PHE 583.A N LYS 597.A O no hydrogen 2.914 N/A GLY 584.A N PHE 577.A O no hydrogen 2.996 N/A LEU 585.A N PHE 595.A O no hydrogen 2.969 N/A PHE 586.A N VAL 575.A O no hydrogen 2.710 N/A ASP 587.A N ARG 592.A O no hydrogen 3.041 N/A GLN 589.A N ASP 587.A OD1 no hydrogen 3.293 N/A GLN 589.A NE2 GLN 589.A O no hydrogen 2.629 N/A GLN 590.A NE2 ARG 652.A O no hydrogen 2.311 N/A GLN 590.A NE2 GLU 655.A O no hydrogen 3.372 N/A ARG 591.A NH1 HIS 588.A O no hydrogen 2.778 N/A ARG 592.A N ASP 587.A O no hydrogen 3.218 N/A GLN 593.A NE2 PHE 595.A O no hydrogen 3.181 N/A VAL 594.A N LEU 585.A O no hydrogen 3.136 N/A LYS 597.A N PHE 583.A O no hydrogen 2.689 N/A LYS 597.A NZ GLN 661.A OE1 no hydrogen 3.204 N/A THR 599.A N HIS 581.A O no hydrogen 3.137 N/A THR 599.A OG1 HIS 581.A O no hydrogen 2.846 N/A HIS 601.A ND1 HIS 601.A O no hydrogen 2.640 N/A ARG 611.A N GLY 633.A O no hydrogen 2.762 N/A ARG 611.A NH1 GLU 713.A OE2 no hydrogen 3.385 N/A THR 612.A OG1 VAL 673.A O no hydrogen 3.123 N/A TYR 614.A N TRP 631.A O no hydrogen 3.145 N/A ALA 616.A N SER 629.A O no hydrogen 3.059 N/A THR 618.A OG1 HIS 706.A ND1 no hydrogen 2.856 N/A TYR 619.A N THR 618.A OG1 no hydrogen 2.495 N/A TYR 619.A OH MET 702.A O no hydrogen 2.960 N/A CYS 627.A N THR 618.A O no hydrogen 3.101 N/A CYS 627.A SG PRO 628.A O no hydrogen 3.510 N/A CYS 627.A SG SER 643.A OG no hydrogen 3.408 N/A SER 629.A OG ALA 616.A O no hydrogen 2.432 N/A LEU 630.A N PHE 642.A O no hydrogen 3.062 N/A TRP 631.A N TYR 614.A O no hydrogen 3.008 N/A TRP 631.A NE1 SER 629.A OG no hydrogen 2.975 N/A ALA 632.A N TYR 640.A O no hydrogen 2.935 N/A GLY 633.A N THR 612.A O no hydrogen 3.011 N/A THR 634.A N THR 638.A O no hydrogen 3.110 N/A THR 634.A OG1 THR 638.A O no hydrogen 3.200 N/A ASN 635.A N GLY 608.A O no hydrogen 2.521 N/A THR 638.A N THR 634.A OG1 no hydrogen 3.009 N/A THR 638.A OG1 GLN 666.A OE1 no hydrogen 2.805 N/A ILE 639.A N ILE 665.A O no hydrogen 2.760 N/A TYR 640.A N ALA 632.A O no hydrogen 2.860 N/A ALA 641.A N LYS 663.A O no hydrogen 2.996 N/A PHE 642.A N LEU 630.A O no hydrogen 2.996 N/A SER 643.A N GLU 660.A O no hydrogen 2.754 N/A LEU 644.A N PRO 628.A O no hydrogen 3.006 N/A ARG 645.A N ARG 658.A O no hydrogen 3.101 N/A ARG 651.A N PRO 648.A O no hydrogen 3.100 N/A ARG 652.A N ALA 649.A O no hydrogen 3.241 N/A ARG 652.A NH1 TRP 572.A O no hydrogen 2.506 N/A ARG 652.A NH1 ASP 587.A OD1 no hydrogen 2.736 N/A ARG 652.A NH2 ASP 587.A OD2 no hydrogen 2.699 N/A GLU 660.A N SER 643.A O no hydrogen 3.110 N/A ALA 662.A N ALA 641.A O no hydrogen 2.810 N/A LYS 663.A N ALA 641.A O no hydrogen 3.290 N/A LYS 663.A NZ PRO 722.A O no hydrogen 3.524 N/A ILE 665.A N ILE 639.A O no hydrogen 2.854 N/A GLN 666.A NE2 GLY 636.A O no hydrogen 2.877 N/A GLN 666.A NE2 LEU 667.A O no hydrogen 3.489 N/A LEU 667.A N GLY 637.A O no hydrogen 3.017 N/A HIS 669.A NE2 SER 712.A OG no hydrogen 2.775 N/A VAL 673.A N THR 634.A O no hydrogen 3.163 N/A VAL 674.A N VAL 711.A O no hydrogen 2.905 N/A GLY 675.A N VAL 711.A O no hydrogen 3.136 N/A LEU 677.A N LEU 709.A O no hydrogen 2.806 N/A LEU 679.A N GLN 707.A O no hydrogen 2.725 N/A ASP 680.A N VAL 684.A O no hydrogen 2.904 N/A GLY 681.A N ASP 701.A O no hydrogen 3.100 N/A SER 683.A N ASP 680.A O no hydrogen 3.287 N/A VAL 684.A N ASP 680.A OD1 no hydrogen 2.550 N/A LEU 686.A N VAL 678.A O no hydrogen 3.039 N/A GLU 688.A N GLU 691.A OE1 no hydrogen 2.779 N/A GLU 691.A N GLU 688.A O no hydrogen 3.096 N/A HIS 694.A N LEU 690.A O no hydrogen 3.295 N/A HIS 694.A ND1 LEU 690.A O no hydrogen 2.796 N/A ASP 695.A N VAL 692.A O no hydrogen 3.332 N/A SER 697.A N ASP 695.A OD1 no hydrogen 3.230 N/A SER 697.A OG ASP 695.A OD1 no hydrogen 2.399 N/A LYS 698.A N ASP 695.A O no hydrogen 3.381 N/A SER 699.A N LEU 696.A O no hydrogen 3.100 N/A ASP 701.A N ASP 680.A OD2 no hydrogen 3.291 N/A GLY 704.A N ASP 701.A OD2 no hydrogen 3.324 N/A HIS 706.A ND1 THR 618.A OG1 no hydrogen 2.856 N/A GLN 707.A N LEU 679.A O no hydrogen 2.919 N/A GLN 707.A NE2 ASP 680.A O no hydrogen 3.638 N/A GLN 707.A NE2 SER 683.A OG no hydrogen 3.211 N/A LEU 708.A N PHE 719.A O no hydrogen 2.879 N/A LEU 709.A N LEU 677.A O no hydrogen 2.516 N/A VAL 710.A N LYS 717.A O no hydrogen 2.829 N/A VAL 711.A N GLY 675.A O no hydrogen 2.853 N/A SER 712.A N GLN 715.A O no hydrogen 2.809 N/A SER 712.A OG HIS 669.A NE2 no hydrogen 2.775 N/A SER 712.A OG GLN 715.A O no hydrogen 2.695 N/A GLU 713.A N PRO 672.A O no hydrogen 3.055 N/A GLN 715.A N SER 712.A OG no hydrogen 2.810 N/A PHE 716.A N LEU 730.A O no hydrogen 3.026 N/A LYS 717.A N VAL 710.A O no hydrogen 2.860 N/A VAL 718.A N LEU 728.A O no hydrogen 2.831 N/A PHE 719.A N LEU 708.A O no hydrogen 2.730 N/A THR 720.A N SER 725.A O no hydrogen 2.871 N/A LEU 721.A N HIS 706.A O no hydrogen 3.165 N/A SER 725.A N THR 720.A O no hydrogen 3.282 N/A LYS 727.A N VAL 718.A O no hydrogen 3.046 N/A LYS 727.A NZ GLN 707.A OE1 no hydrogen 2.887 N/A LEU 728.A N VAL 718.A O no hydrogen 3.233 N/A LYS 729.A NZ GLN 715.A OE1 no hydrogen 3.195 N/A LEU 730.A N PHE 716.A O no hydrogen 2.920 N/A THR 733.A N GLU 714.A O no hydrogen 3.178 N/A THR 733.A OG1 GLU 713.A O no hydrogen 3.375 N/A THR 733.A OG1 GLU 714.A O no hydrogen 3.475 N/A THR 733.A OG1 SER 738.A O no hydrogen 2.719 N/A LEU 735.A N LYS 731.A O no hydrogen 3.154 N/A LEU 735.A N LEU 732.A O no hydrogen 3.206 N/A GLU 736.A N LEU 732.A O no hydrogen 2.849 N/A ARG 739.A N ASN 766.A OD1 no hydrogen 2.889 N/A ARG 739.A NE GLU 713.A OE1 no hydrogen 3.382 N/A ARG 739.A NH1 GLU 714.A OE2 no hydrogen 3.364 N/A ARG 739.A NH2 GLU 713.A OE1 no hydrogen 3.277 N/A ARG 739.A NH2 GLU 714.A OE2 no hydrogen 3.498 N/A VAL 740.A N GLU 713.A O no hydrogen 2.925 N/A ARG 741.A N LEU 764.A O no hydrogen 2.904 N/A ARG 742.A NH1 ALA 796.A O no hydrogen 2.732 N/A ARG 742.A NH2 ALA 796.A O no hydrogen 3.242 N/A SER 744.A N ALA 762.A O no hydrogen 3.106 N/A ALA 746.A N HIS 760.A O no hydrogen 2.886 N/A HIS 747.A N LYS 802.A O no hydrogen 2.655 N/A PHE 748.A N GLU 758.A O no hydrogen 3.132 N/A SER 750.A N TYR 756.A O no hydrogen 2.905 N/A ARG 751.A N ASP 8.A O no hydrogen 3.032 N/A ALA 753.A N SER 750.A OG no hydrogen 3.360 N/A TYR 756.A OH GLU 758.A OE2 no hydrogen 2.620 N/A GLU 758.A N PHE 748.A O no hydrogen 3.395 N/A HIS 760.A N ALA 746.A O no hydrogen 2.947 N/A HIS 760.A NE2 GLU 758.A OE1 no hydrogen 3.048 N/A LEU 761.A N VAL 773.A O no hydrogen 2.806 N/A ALA 762.A N SER 744.A O no hydrogen 2.860 N/A VAL 763.A N GLN 771.A O no hydrogen 2.882 N/A LEU 764.A N ARG 742.A O no hydrogen 3.142 N/A THR 765.A N ASP 769.A O no hydrogen 2.909 N/A THR 765.A OG1 ASP 769.A O no hydrogen 3.225 N/A ASN 766.A N ARG 739.A O no hydrogen 2.817 N/A GLY 768.A N THR 765.A O no hydrogen 2.987 N/A ASP 769.A N THR 765.A OG1 no hydrogen 3.089 N/A ILE 770.A N TYR 784.A O no hydrogen 2.947 N/A GLN 771.A N VAL 763.A O no hydrogen 2.777 N/A GLN 771.A NE2 GLU 736.A OE1 no hydrogen 2.635 N/A VAL 772.A N VAL 782.A O no hydrogen 3.148 N/A VAL 773.A N LEU 761.A O no hydrogen 2.917 N/A SER 774.A N LYS 779.A O no hydrogen 3.037 N/A SER 774.A OG LYS 779.A O no hydrogen 2.992 N/A LEU 775.A N HIS 760.A ND1 no hydrogen 3.129 N/A LEU 778.A N SER 774.A O no hydrogen 2.942 N/A LYS 779.A N SER 774.A OG no hydrogen 3.046 N/A GLN 781.A N VAL 772.A O no hydrogen 2.966 N/A GLN 781.A NE2 LYS 779.A O no hydrogen 2.833 N/A TYR 784.A N ILE 770.A O no hydrogen 3.008 N/A ILE 787.A N GLY 768.A O no hydrogen 3.044 N/A ASP 791.A N ARG 788.A O no hydrogen 3.011 N/A VAL 792.A N GLU 790.A O no hydrogen 3.029 N/A SER 793.A OG ASP 791.A OD1 no hydrogen 2.841 N/A GLY 794.A N ASP 791.A OD1 no hydrogen 2.946 N/A ILE 795.A N ASP 791.A O no hydrogen 3.081 N/A ALA 796.A N VAL 792.A O no hydrogen 3.410 N/A SER 797.A N SER 793.A O no hydrogen 3.061 N/A SER 797.A OG SER 793.A O no hydrogen 3.188 N/A SER 797.A OG GLY 794.A O no hydrogen 2.925 N/A CYS 798.A N ILE 795.A O no hydrogen 3.178 N/A CYS 798.A SG PHE 807.A O no hydrogen 3.987 N/A VAL 799.A N PHE 807.A O no hydrogen 3.141 N/A THR 801.A N GLN 805.A O no hydrogen 2.862 N/A THR 801.A OG1 GLN 805.A O no hydrogen 3.259 N/A LYS 802.A NZ GLU 688.A OE1 no hydrogen 3.182 N/A GLN 805.A N THR 801.A OG1 no hydrogen 2.728 N/A GLY 806.A N PHE 818.A O no hydrogen 2.911 N/A PHE 807.A N VAL 799.A O no hydrogen 3.061 N/A TYR 808.A N GLU 816.A O no hydrogen 3.310 N/A LEU 809.A N SER 797.A OG no hydrogen 3.353 N/A SER 811.A OG SER 813.A OG no hydrogen 3.109 N/A SER 813.A N SER 811.A OG no hydrogen 3.097 N/A SER 813.A OG PHE 20.A O no hydrogen 2.798 N/A SER 813.A OG SER 811.A OG no hydrogen 3.109 N/A GLU 814.A N SER 811.A O no hydrogen 3.278 N/A PHE 815.A N HIS 18.A O no hydrogen 2.728 N/A GLU 816.A N TYR 808.A O no hydrogen 2.900 N/A ARG 817.A N VAL 16.A O no hydrogen 2.902 N/A ARG 817.A NE HIS 18.A NE2 no hydrogen 3.084 N/A ARG 817.A NH2 HIS 18.A NE2 no hydrogen 3.322 N/A ARG 817.A NH2 ALA 438.A O no hydrogen 3.116 N/A PHE 818.A N GLY 806.A O no hydrogen 3.017 N/A SER 819.A N ASN 13.A O no hydrogen 3.073 N/A SER 819.A OG SER 821.A O no hydrogen 3.306 N/A SER 819.A OG TRP 824.A O no hydrogen 2.500 N/A LEU 820.A N GLY 804.A O no hydrogen 2.923 N/A THR 822.A N LEU 9.A O no hydrogen 3.275 N/A THR 822.A OG1 ASP 8.A O no hydrogen 2.925 N/A LYS 823.A N SER 821.A OG no hydrogen 3.291 N/A CYS 830.A SG GLU 54.A O no hydrogen 4.007 N/A LEU 831.A N THR 412.A O no hydrogen 2.868 N/A VAL 832.A N SER 98.A OG no hydrogen 3.052 N/A