Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8w1s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLU 4.A OE2 no hydrogen 2.817 N/A GLU 4.A N GLU 4.A OE1 no hydrogen 2.760 N/A MET 6.A N LEU 2.A O no hydrogen 2.883 N/A GLN 7.A N GLN 3.A O no hydrogen 2.948 N/A ARG 10.A N MET 6.A O no hydrogen 2.911 N/A GLN 11.A N GLN 7.A O no hydrogen 2.923 N/A VAL 12.A N LYS 8.A O no hydrogen 3.010 N/A GLN 13.A NE2 VAL 9.A O no hydrogen 2.475 N/A ALA 14.A N ARG 10.A O no hydrogen 3.341 N/A ASP 15.A N GLN 11.A O no hydrogen 2.961 N/A TYR 16.A N VAL 12.A O no hydrogen 2.902 N/A MET 17.A N GLN 13.A O no hydrogen 2.911 N/A THR 18.A N ALA 14.A O no hydrogen 2.900 N/A THR 18.A OG1 ALA 14.A O no hydrogen 2.685 N/A ALA 19.A N ASP 15.A O no hydrogen 2.943 N/A THR 20.A N TYR 16.A O no hydrogen 3.372 N/A THR 20.A OG1 THR 20.A O no hydrogen 2.592 N/A THR 26.A N ASP 24.A OD1 no hydrogen 2.654 N/A ILE 33.A N ASP 29.A O no hydrogen 3.374 N/A LEU 34.A N VAL 30.A O no hydrogen 2.939 N/A ASP 35.A N GLN 31.A O no hydrogen 2.925 N/A ASP 36.A N LYS 32.A O no hydrogen 2.914 N/A ILE 37.A N ILE 33.A O no hydrogen 2.949 N/A LYS 38.A N LEU 34.A O no hydrogen 2.944 N/A ALA 39.A N ASP 35.A O no hydrogen 2.908 N/A LEU 40.A N ASP 36.A O no hydrogen 2.888 N/A ALA 41.A N ILE 37.A O no hydrogen 2.967 N/A ALA 41.A N LYS 38.A O no hydrogen 3.306 N/A ALA 42.A N ALA 39.A O no hydrogen 3.242 N/A GLU 43.A N LEU 40.A O no hydrogen 3.286 N/A GLN 44.A NE2 TYR 46.A O no hydrogen 3.512 N/A TYR 46.A OH ASP 851.A OD2 no hydrogen 2.496 N/A VAL 49.A N ILE 110.A O no hydrogen 2.942 N/A SER 55.A N GLY 131.A O no hydrogen 3.162 N/A ARG 57.A N VAL 70.A O no hydrogen 2.958 N/A ARG 57.A NH2 GLU 75.A OE1 no hydrogen 3.214 N/A ARG 57.A NH2 GLU 75.A OE2 no hydrogen 2.702 N/A HIS 58.A ND1 GLU 133.A O no hydrogen 3.044 N/A ILE 59.A N LEU 68.A O no hydrogen 2.893 N/A GLN 62.A NE2 VAL 796.A O no hydrogen 3.011 N/A SER 63.A OG GLN 689.A O no hydrogen 2.756 N/A ARG 64.A NE VAL 140.A O no hydrogen 3.379 N/A ASP 65.A N SER 63.A OG no hydrogen 3.088 N/A ARG 66.A N SER 63.A OG no hydrogen 3.404 N/A VAL 67.A N VAL 827.A O no hydrogen 2.947 N/A LEU 68.A N ILE 59.A O no hydrogen 2.986 N/A ARG 69.A N GLU 825.A O no hydrogen 2.850 N/A ARG 69.A NH1 GLN 831.A O no hydrogen 3.204 N/A ARG 69.A NH2 GLU 825.A OE1 no hydrogen 3.117 N/A VAL 70.A N ARG 57.A O no hydrogen 2.904 N/A ASP 71.A N ILE 823.A O no hydrogen 3.154 N/A THR 72.A N SER 55.A O no hydrogen 3.011 N/A THR 72.A OG1 ILE 54.A O no hydrogen 3.284 N/A THR 72.A OG1 SER 55.A O no hydrogen 3.247 N/A TYR 73.A N ASP 71.A OD2 no hydrogen 3.384 N/A TYR 73.A OH ASP 662.A O no hydrogen 3.249 N/A GLU 76.A N THR 72.A O no hydrogen 2.941 N/A MET 77.A N TYR 73.A O no hydrogen 2.858 N/A SER 78.A N TYR 74.A O no hydrogen 2.957 N/A SER 78.A OG GLU 75.A O no hydrogen 3.188 N/A GLU 86.A N GLU 86.A OE1 no hydrogen 2.667 N/A PHE 92.A N GLU 88.A O no hydrogen 3.288 N/A TYR 93.A N PRO 89.A O no hydrogen 2.978 N/A SER 94.A N GLU 90.A O no hydrogen 2.925 N/A SER 94.A OG GLU 90.A O no hydrogen 2.797 N/A THR 95.A N LYS 91.A O no hydrogen 2.876 N/A THR 95.A OG1 LYS 91.A O no hydrogen 2.991 N/A ILE 96.A N PHE 92.A O no hydrogen 3.018 N/A ILE 97.A N TYR 93.A O no hydrogen 2.966 N/A LYS 98.A N SER 94.A O no hydrogen 2.909 N/A LYS 99.A N THR 95.A O no hydrogen 2.955 N/A LYS 99.A NZ VAL 80.A O no hydrogen 2.730 N/A VAL 100.A N ILE 96.A O no hydrogen 3.013 N/A ARG 101.A N ILE 97.A O no hydrogen 2.950 N/A ARG 101.A NE GLU 650.A OE2 no hydrogen 3.052 N/A ARG 101.A NH2 ASP 579.A OD2 no hydrogen 3.325 N/A PHE 102.A N LYS 98.A O no hydrogen 2.895 N/A ILE 103.A N LYS 99.A O no hydrogen 3.022 N/A ARG 104.A N VAL 100.A O no hydrogen 2.976 N/A ARG 104.A NE GLU 650.A OE1 no hydrogen 2.958 N/A ARG 104.A NH2 GLU 650.A OE1 no hydrogen 3.061 N/A GLY 105.A N ARG 101.A O no hydrogen 2.896 N/A LYS 106.A N PHE 102.A O no hydrogen 2.951 N/A LYS 106.A NZ GLU 76.A OE1 no hydrogen 3.141 N/A GLY 107.A N ILE 103.A O no hydrogen 2.977 N/A SER 108.A OG ARG 104.A O no hydrogen 3.309 N/A SER 108.A OG GLY 105.A O no hydrogen 3.357 N/A ILE 110.A N LYS 47.A O no hydrogen 2.895 N/A HIS 112.A N VAL 49.A O no hydrogen 3.073 N/A ASP 113.A N TYR 843.A O no hydrogen 3.350 N/A ARG 117.A N VAL 124.A O no hydrogen 2.902 N/A ARG 117.A NH1 ASP 154.A OD1 no hydrogen 3.386 N/A ARG 117.A NH2 ASP 154.A OD1 no hydrogen 2.846 N/A HIS 119.A N MET 122.A O no hydrogen 2.911 N/A MET 122.A N HIS 119.A O no hydrogen 2.913 N/A VAL 124.A N ARG 117.A O no hydrogen 2.876 N/A ALA 125.A N SER 156.A O no hydrogen 3.256 N/A GLU 128.A N GLU 128.A OE1 no hydrogen 2.597 N/A GLU 133.A N PHE 56.A O no hydrogen 3.313 N/A LYS 135.A N GLU 133.A OE2 no hydrogen 3.104 N/A ASN 136.A ND2 HIS 58.A O no hydrogen 3.341 N/A VAL 137.A N PHE 134.A O no hydrogen 3.483 N/A LEU 141.A N LEU 138.A O no hydrogen 3.157 N/A THR 142.A OG1 GLU 144.A OE1 no hydrogen 3.434 N/A ALA 143.A N THR 142.A OG1 no hydrogen 2.636 N/A GLU 144.A N GLU 144.A OE1 no hydrogen 2.565 N/A ARG 146.A N THR 142.A O no hydrogen 3.321 N/A ALA 147.A N ALA 143.A O no hydrogen 2.950 N/A MET 148.A N GLU 144.A O no hydrogen 2.926 N/A ILE 149.A N HIS 145.A O no hydrogen 2.931 N/A GLN 150.A N ARG 146.A O no hydrogen 2.951 N/A ASN 151.A N ALA 147.A O no hydrogen 2.954 N/A ALA 152.A N MET 148.A O no hydrogen 2.893 N/A LEU 153.A N ILE 149.A O no hydrogen 2.911 N/A ASP 154.A N GLN 150.A O no hydrogen 2.966 N/A GLY 155.A N ALA 152.A O no hydrogen 3.169 N/A ILE 158.A N GLU 123.A O no hydrogen 3.042 N/A GLU 159.A N VAL 170.A O no hydrogen 2.920 N/A ASN 160.A ND2 ASP 167.A OD1 no hydrogen 3.236 N/A GLY 161.A N VAL 168.A O no hydrogen 2.945 N/A VAL 163.A N ARG 166.A O no hydrogen 3.058 N/A THR 165.A OG1 ALA 164.A O no hydrogen 2.593 N/A ARG 166.A N VAL 163.A O no hydrogen 3.013 N/A VAL 168.A N GLY 161.A O no hydrogen 2.914 N/A ASP 169.A N ALA 842.A O no hydrogen 2.911 N/A VAL 170.A N GLU 159.A O no hydrogen 2.876 N/A PHE 171.A N PHE 840.A O no hydrogen 2.950 N/A GLY 173.A N ARG 838.A O no hydrogen 2.882 N/A CYS 175.A SG SER 176.A O no hydrogen 3.563 N/A SER 176.A OG ASP 71.A OD1 no hydrogen 3.380 N/A SER 176.A OG ASP 71.A OD2 no hydrogen 3.096 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.801 N/A TYR 180.A N SER 176.A O no hydrogen 2.910 N/A ARG 181.A N GLU 177.A O no hydrogen 2.976 N/A ARG 181.A NE GLU 652.A OE2 no hydrogen 3.445 N/A ARG 181.A NH2 GLU 652.A OE2 no hydrogen 3.419 N/A TYR 183.A N VAL 179.A O no hydrogen 2.988 N/A ASN 184.A N TYR 180.A O no hydrogen 2.895 N/A ARG 185.A N ARG 181.A O no hydrogen 2.970 N/A ARG 185.A NH1 ARG 185.A O no hydrogen 3.334 N/A LEU 186.A N ILE 182.A O no hydrogen 2.945 N/A GLN 187.A N TYR 183.A O no hydrogen 2.973 N/A GLY 188.A N ASN 184.A O no hydrogen 2.961 N/A TYR 189.A N ARG 185.A O no hydrogen 2.939 N/A TYR 189.A OH LEU 233.A O no hydrogen 2.972 N/A ILE 190.A N LEU 186.A O no hydrogen 2.946 N/A GLU 191.A N GLN 187.A O no hydrogen 2.987 N/A ALA 192.A N GLY 188.A O no hydrogen 2.939 N/A VAL 193.A N TYR 189.A O no hydrogen 2.922 N/A GLN 194.A N ILE 190.A O no hydrogen 2.950 N/A LEU 195.A N GLU 191.A O no hydrogen 2.966 N/A LEU 195.A N ALA 192.A O no hydrogen 3.269 N/A GLN 196.A N ALA 192.A O no hydrogen 3.275 N/A ASN 200.A N GLN 196.A O no hydrogen 3.273 N/A SER 201.A N GLU 197.A O no hydrogen 2.963 N/A SER 201.A OG GLU 197.A O no hydrogen 3.089 N/A ILE 202.A N LEU 198.A O no hydrogen 2.968 N/A GLY 203.A N ARG 199.A O no hydrogen 2.917 N/A TRP 204.A N ASN 200.A O no hydrogen 2.937 N/A TRP 204.A NE1 PRO 430.A O no hydrogen 3.062 N/A LEU 205.A N SER 201.A O no hydrogen 2.966 N/A GLU 206.A N ILE 202.A O no hydrogen 2.943 N/A ARG 207.A N GLY 203.A O no hydrogen 2.981 N/A LEU 208.A N TRP 204.A O no hydrogen 2.926 N/A GLY 209.A N LEU 205.A O no hydrogen 2.898 N/A HIS 210.A N GLU 206.A O no hydrogen 2.934 N/A ARG 211.A N ARG 207.A O no hydrogen 2.971 N/A ARG 211.A NE ASN 501.A O no hydrogen 3.435 N/A ARG 211.A NH2 ASN 501.A O no hydrogen 3.377 N/A LYS 212.A N LEU 208.A O no hydrogen 2.905 N/A LYS 212.A NZ ASP 503.A O no hydrogen 2.815 N/A LYS 212.A NZ HIS 505.A O no hydrogen 3.366 N/A ILE 214.A N GLY 209.A O no hydrogen 3.080 N/A THR 215.A N THR 860.A O no hydrogen 2.940 N/A TYR 216.A OH GLU 560.A O no hydrogen 3.412 N/A SER 217.A N MET 858.A O no hydrogen 3.180 N/A GLN 218.A NE2 GLU 206.A OE2 no hydrogen 3.006 N/A GLU 219.A N SER 217.A OG no hydrogen 3.221 N/A THR 222.A N GLU 219.A O no hydrogen 3.451 N/A THR 222.A OG1 GLU 219.A O no hydrogen 3.363 N/A ARG 225.A NH2 ASP 228.A OD2 no hydrogen 3.286 N/A ARG 225.A NH2 LYS 846.A O no hydrogen 3.147 N/A ARG 226.A N ASP 223.A O no hydrogen 3.369 N/A ASP 228.A N ARG 225.A O no hydrogen 3.445 N/A THR 229.A OG1 ARG 225.A O no hydrogen 2.591 N/A ILE 230.A N ARG 848.A O no hydrogen 3.083 N/A TRP 231.A N GLN 194.A OE1 no hydrogen 2.593 N/A VAL 232.A N MET 850.A O no hydrogen 3.481 N/A ALA 234.A N THR 853.A OG1 no hydrogen 3.377 N/A ASN 240.A N GLN 642.A OE1 no hydrogen 2.892 N/A GLN 242.A N ASN 240.A OD1 no hydrogen 3.350 N/A GLN 242.A NE2 ASP 246.A OD1 no hydrogen 3.065 N/A VAL 244.A N PRO 241.A O no hydrogen 2.945 N/A TRP 245.A N PRO 241.A O no hydrogen 3.322 N/A TRP 245.A N GLN 242.A O no hydrogen 2.936 N/A TRP 245.A NE1 VAL 507.A O no hydrogen 2.738 N/A ARG 249.A NH1 PHE 626.A O no hydrogen 3.331 N/A SER 250.A OG VAL 247.A O no hydrogen 3.084 N/A ASN 254.A N SER 250.A O no hydrogen 3.188 N/A LEU 255.A N SER 251.A O no hydrogen 2.968 N/A ILE 256.A N ILE 252.A O no hydrogen 2.935 N/A MET 257.A N ALA 253.A O no hydrogen 2.914 N/A ASN 258.A N ASN 254.A O no hydrogen 2.917 N/A ILE 259.A N LEU 255.A O no hydrogen 2.978 N/A ALA 260.A N ILE 256.A O no hydrogen 2.905 N/A THR 261.A N MET 257.A O no hydrogen 2.915 N/A THR 261.A N ASN 258.A O no hydrogen 3.336 N/A THR 261.A OG1 MET 257.A O no hydrogen 2.505 N/A CYS 262.A N ASN 258.A O no hydrogen 2.963 N/A CYS 262.A SG ASN 258.A OD1 no hydrogen 3.704 N/A LEU 263.A N ILE 259.A O no hydrogen 3.386 N/A THR 265.A N HIS 554.A O no hydrogen 2.926 N/A THR 265.A OG1 HIS 554.A O no hydrogen 3.035 N/A GLU 267.A N GLU 551.A O no hydrogen 3.340 N/A ILE 269.A N SER 549.A O no hydrogen 3.314 N/A ARG 274.A N ASN 272.A OD1 no hydrogen 3.515 N/A ILE 275.A N ASN 272.A O no hydrogen 3.178 N/A THR 279.A OG1 ILE 275.A O no hydrogen 2.939 N/A THR 281.A N SER 276.A O no hydrogen 3.153 N/A THR 281.A OG1 SER 276.A O no hydrogen 3.101 N/A ILE 292.A N GLY 288.A O no hydrogen 3.095 N/A SER 296.A N LEU 293.A O no hydrogen 3.482 N/A SER 296.A OG LEU 293.A O no hydrogen 3.033 N/A THR 299.A N GLN 302.A OE1 no hydrogen 2.585 N/A THR 299.A OG1 GLN 301.A OE1 no hydrogen 3.515 N/A GLN 301.A N GLN 301.A OE1 no hydrogen 2.583 N/A LEU 303.A N THR 299.A O no hydrogen 3.326 N/A ASN 304.A N ALA 300.A O no hydrogen 2.996 N/A ASP 305.A N GLN 301.A O no hydrogen 2.944 N/A VAL 306.A N GLN 302.A O no hydrogen 2.934 N/A ARG 307.A N LEU 303.A O no hydrogen 2.966 N/A LYS 308.A N ASN 304.A O no hydrogen 2.966 N/A ILE 309.A N ASP 305.A O no hydrogen 2.934 N/A TYR 310.A N VAL 306.A O no hydrogen 2.997 N/A TYR 310.A OH ARG 548.A O no hydrogen 2.434 N/A LEU 311.A N ARG 307.A O no hydrogen 2.947 N/A ALA 312.A N LYS 308.A O no hydrogen 2.927 N/A LEU 313.A N ILE 309.A O no hydrogen 2.938 N/A MET 314.A N TYR 310.A O no hydrogen 2.974 N/A ILE 320.A N VAL 533.A O no hydrogen 2.934 N/A LEU 321.A N ASN 355.A O no hydrogen 3.074 N/A LEU 323.A N ASP 322.A OD1 no hydrogen 2.547 N/A LYS 324.A N VAL 537.A O no hydrogen 3.144 N/A GLU 329.A N ASP 326.A O no hydrogen 3.200 N/A ALA 334.A N ASP 332.A OD1 no hydrogen 3.251 N/A ARG 336.A N ASP 332.A O no hydrogen 3.254 N/A ARG 336.A NH1 ASP 370.A OD1 no hydrogen 3.440 N/A ARG 336.A NH2 ASP 370.A OD1 no hydrogen 3.058 N/A MET 337.A N PRO 333.A O no hydrogen 2.948 N/A VAL 338.A N ALA 334.A O no hydrogen 2.973 N/A ALA 339.A N VAL 335.A O no hydrogen 2.913 N/A GLY 340.A N ARG 336.A O no hydrogen 2.931 N/A VAL 341.A N MET 337.A O no hydrogen 2.972 N/A VAL 342.A N VAL 338.A O no hydrogen 2.961 N/A GLY 343.A N ALA 339.A O no hydrogen 2.923 N/A HIS 344.A ND1 GLY 340.A O no hydrogen 3.097 N/A LEU 345.A N VAL 342.A O no hydrogen 3.232 N/A LEU 346.A N GLY 343.A O no hydrogen 3.379 N/A PHE 347.A N GLY 343.A O no hydrogen 3.236 N/A ARG 352.A NH1 ASP 422.A OD1 no hydrogen 3.018 N/A THR 354.A OG1 LEU 356.A O no hydrogen 2.858 N/A ASN 355.A N THR 348.A O no hydrogen 2.878 N/A LEU 356.A N THR 354.A OG1 no hydrogen 3.019 N/A ALA 361.A N THR 357.A O no hydrogen 3.239 N/A ARG 362.A N GLN 358.A O no hydrogen 2.965 N/A ARG 362.A NH2 GLU 389.A OE1 no hydrogen 2.860 N/A GLN 363.A N ASN 359.A O no hydrogen 2.965 N/A GLN 363.A NE2 ASN 359.A OD1 no hydrogen 3.142 N/A LEU 364.A N MET 360.A O no hydrogen 2.926 N/A ASP 365.A N ALA 361.A O no hydrogen 2.944 N/A ILE 366.A N ARG 362.A O no hydrogen 2.980 N/A ALA 367.A N GLN 363.A O no hydrogen 2.940 N/A LEU 368.A N LEU 364.A O no hydrogen 2.938 N/A ASN 369.A N ASP 365.A O no hydrogen 2.974 N/A ASP 370.A N ILE 366.A O no hydrogen 2.929 N/A TYR 371.A N ALA 367.A O no hydrogen 2.949 N/A TYR 371.A OH GLU 478.A OE2 no hydrogen 2.277 N/A LEU 372.A N LEU 368.A O no hydrogen 2.982 N/A LEU 373.A N ASN 369.A O no hydrogen 3.468 N/A TYR 374.A N TYR 371.A O no hydrogen 3.194 N/A ASN 383.A N GLN 394.A O no hydrogen 2.918 N/A THR 387.A N ASP 392.A OD2 no hydrogen 3.350 N/A THR 387.A OG1 ASP 392.A OD2 no hydrogen 2.333 N/A GLU 389.A N THR 387.A OG1 no hydrogen 3.265 N/A GLN 394.A N ASN 383.A O no hydrogen 2.903 N/A ILE 395.A N TYR 400.A O no hydrogen 3.352 N/A GLN 399.A N GLY 396.A O no hydrogen 3.301 N/A TYR 400.A N ILE 395.A O no hydrogen 2.940 N/A TYR 400.A OH GLU 465.A OE1 no hydrogen 2.681 N/A CYS 402.A SG TYR 400.A O no hydrogen 3.914 N/A ASN 403.A N ASP 401.A OD1 no hydrogen 3.325 N/A ASN 403.A ND2 ASP 392.A OD1 no hydrogen 2.915 N/A ASN 403.A ND2 ASP 401.A OD1 no hydrogen 3.350 N/A ARG 406.A N ASN 403.A O no hydrogen 3.211 N/A ARG 406.A NE PRO 390.A O no hydrogen 3.224 N/A ARG 406.A NH2 ASN 403.A OD1 no hydrogen 2.492 N/A ALA 407.A N ASP 365.A OD2 no hydrogen 2.644 N/A ALA 410.A N ASP 408.A OD1 no hydrogen 3.335 N/A THR 413.A OG1 ARG 406.A O no hydrogen 3.194 N/A TYR 415.A OH ASP 365.A OD1 no hydrogen 3.077 N/A ASN 416.A ND2 LEU 345.A O no hydrogen 3.640 N/A THR 420.A OG1 ASN 416.A O no hydrogen 3.406 N/A GLU 424.A N TYR 437.A O no hydrogen 3.184 N/A ARG 426.A NE GLU 424.A OE1 no hydrogen 2.567 N/A ARG 426.A NH2 GLU 424.A OE1 no hydrogen 3.024 N/A ARG 426.A NH2 ASP 444.A OD1 no hydrogen 3.328 N/A HIS 433.A NE2 SER 509.A O no hydrogen 3.070 N/A GLN 435.A N ASP 512.A OD2 no hydrogen 3.092 N/A ARG 436.A NH1 LEU 510.A O no hydrogen 2.881 N/A ARG 436.A NH1 ASP 512.A OD1 no hydrogen 2.811 N/A ARG 436.A NH2 LEU 510.A O no hydrogen 3.129 N/A TYR 437.A N GLU 424.A O no hydrogen 3.169 N/A ILE 438.A N ASN 501.A OD1 no hydrogen 3.247 N/A ARG 439.A N ASP 422.A O no hydrogen 2.823 N/A TYR 440.A OH LEU 313.A O no hydrogen 3.155 N/A ILE 443.A N TYR 440.A O no hydrogen 3.123 N/A ARG 446.A NH1 ASP 444.A OD2 no hydrogen 3.261 N/A THR 453.A OG1 THR 453.A O no hydrogen 2.369 N/A TYR 460.A OH HIS 489.A NE2 no hydrogen 3.078 N/A CYS 462.A SG TYR 415.A O no hydrogen 3.004 N/A TYR 463.A OH PHE 482.A O no hydrogen 2.158 N/A ASN 464.A N TYR 460.A O no hydrogen 3.206 N/A GLU 465.A N HIS 461.A O no hydrogen 2.948 N/A MET 466.A N CYS 462.A O no hydrogen 2.908 N/A LEU 467.A N TYR 463.A O no hydrogen 2.955 N/A ARG 468.A N ASN 464.A O no hydrogen 2.954 N/A ARG 468.A NH2 GLU 465.A OE2 no hydrogen 2.959 N/A MET 469.A N GLU 465.A O no hydrogen 2.931 N/A LEU 470.A N MET 466.A O no hydrogen 2.917 N/A VAL 471.A N LEU 467.A O no hydrogen 2.972 N/A ALA 472.A N ARG 468.A O no hydrogen 2.929 N/A ALA 473.A N MET 469.A O no hydrogen 3.130 N/A ALA 473.A N LEU 470.A O no hydrogen 3.328 N/A GLY 474.A N VAL 471.A O no hydrogen 3.250 N/A LYS 475.A N LEU 470.A O no hydrogen 3.137 N/A LYS 475.A NZ TYR 374.A O no hydrogen 2.920 N/A GLU 478.A N GLU 478.A OE1 no hydrogen 2.598 N/A ALA 480.A N ASP 476.A O no hydrogen 2.939 N/A TYR 481.A N SER 477.A O no hydrogen 2.886 N/A PHE 482.A N GLU 478.A O no hydrogen 2.925 N/A ARG 483.A N ALA 479.A O no hydrogen 2.963 N/A SER 484.A N ALA 480.A O no hydrogen 2.908 N/A SER 484.A OG ALA 480.A O no hydrogen 2.905 N/A MET 485.A N TYR 481.A O no hydrogen 2.912 N/A HIS 489.A N MET 485.A O no hydrogen 3.284 N/A MET 490.A N LEU 486.A O no hydrogen 2.957 N/A VAL 491.A N PRO 487.A O no hydrogen 2.929 N/A ARG 492.A N PHE 488.A O no hydrogen 2.980 N/A ARG 492.A NH1 HIS 489.A ND1 no hydrogen 2.915 N/A PHE 493.A N HIS 489.A O no hydrogen 3.014 N/A ALA 494.A N MET 490.A O no hydrogen 2.910 N/A ARG 495.A N VAL 491.A O no hydrogen 2.982 N/A ARG 495.A NE GLU 551.A OE2 no hydrogen 3.081 N/A ARG 495.A NH2 GLU 551.A OE2 no hydrogen 3.507 N/A ILE 496.A N ARG 492.A O no hydrogen 3.013 N/A ASN 497.A N PHE 493.A O no hydrogen 2.927 N/A ASN 497.A ND2 ILE 438.A O no hydrogen 2.484 N/A GLN 498.A N ALA 494.A O no hydrogen 2.950 N/A ILE 499.A N ARG 495.A O no hydrogen 2.969 N/A ILE 500.A N ILE 496.A O no hydrogen 2.981 N/A ASN 501.A N ASN 497.A O no hydrogen 2.937 N/A ASN 501.A ND2 ILE 438.A O no hydrogen 3.369 N/A ASN 501.A ND2 SER 445.A OG no hydrogen 3.026 N/A GLU 502.A N GLN 498.A O no hydrogen 2.945 N/A ASP 503.A N ILE 499.A O no hydrogen 2.942 N/A SER 506.A OG GLU 566.A OE1 no hydrogen 3.262 N/A VAL 507.A N GLU 566.A OE1 no hydrogen 3.403 N/A PHE 508.A N SER 506.A OG no hydrogen 3.113 N/A SER 509.A N SER 506.A O no hydrogen 3.257 N/A SER 509.A OG SER 506.A O no hydrogen 2.646 N/A ASP 512.A N HIS 433.A O no hydrogen 3.268 N/A PHE 515.A N PRO 511.A O no hydrogen 3.048 N/A ASN 516.A N ASP 512.A O no hydrogen 2.930 N/A ASP 521.A N ALA 517.A O no hydrogen 3.449 N/A LEU 522.A N LEU 518.A O no hydrogen 3.307 N/A ILE 523.A N LEU 519.A O no hydrogen 3.340 N/A ALA 524.A N PRO 520.A O no hydrogen 3.140 N/A ALA 526.A N ASP 521.A O no hydrogen 3.290 N/A VAL 533.A N GLN 318.A O no hydrogen 3.033 N/A LEU 535.A N ILE 320.A O no hydrogen 3.016 N/A VAL 537.A N ASP 322.A O no hydrogen 2.909 N/A SER 538.A OG ASP 305.A OD2 no hydrogen 3.564 N/A SER 541.A OG SER 538.A O no hydrogen 2.528 N/A LEU 542.A N TRP 539.A O no hydrogen 3.249 N/A PHE 544.A N ILE 540.A O no hydrogen 3.024 N/A ALA 545.A N SER 541.A O no hydrogen 2.829 N/A PHE 546.A N LEU 542.A O no hydrogen 2.922 N/A ASN 547.A N TRP 543.A O no hydrogen 3.011 N/A ASN 547.A N PHE 544.A O no hydrogen 3.212 N/A ARG 548.A N ALA 545.A O no hydrogen 3.328 N/A SER 549.A N ILE 269.A O no hydrogen 3.224 N/A GLU 551.A N GLU 267.A O no hydrogen 3.148 N/A THR 553.A N THR 265.A O no hydrogen 2.912 N/A THR 553.A OG1 GLU 267.A OE1 no hydrogen 3.113 N/A HIS 554.A N THR 265.A O no hydrogen 2.933 N/A HIS 554.A NE2 GLU 557.A OE2 no hydrogen 2.458 N/A ARG 555.A NH1 ARG 213.A O no hydrogen 3.390 N/A ARG 555.A NH2 LYS 212.A O no hydrogen 3.287 N/A ARG 555.A NH2 ASP 503.A OD1 no hydrogen 2.675 N/A ASN 556.A ND2 ALA 260.A O no hydrogen 3.620 N/A ASN 556.A ND2 LEU 263.A O no hydrogen 3.122 N/A MET 558.A N ASN 556.A OD1 no hydrogen 3.095 N/A LEU 559.A N ASN 556.A O no hydrogen 3.425 N/A GLU 560.A N GLU 560.A OE1 no hydrogen 2.592 N/A VAL 561.A N MET 558.A O no hydrogen 3.359 N/A GLU 566.A N ALA 562.A O no hydrogen 2.944 N/A SER 567.A N PRO 563.A O no hydrogen 2.934 N/A SER 567.A OG PRO 563.A O no hydrogen 3.066 N/A SER 567.A OG LEU 564.A O no hydrogen 2.585 N/A VAL 568.A N LEU 564.A O no hydrogen 2.969 N/A TYR 569.A N ILE 565.A O no hydrogen 2.951 N/A ALA 570.A N GLU 566.A O no hydrogen 2.983 N/A SER 571.A N SER 567.A O no hydrogen 2.936 N/A GLU 572.A N VAL 568.A O no hydrogen 2.996 N/A LEU 573.A N TYR 569.A O no hydrogen 3.026 N/A SER 574.A N ALA 570.A O no hydrogen 2.967 N/A SER 574.A OG ALA 570.A O no hydrogen 2.999 N/A VAL 575.A N SER 571.A O no hydrogen 2.993 N/A MET 576.A N GLU 572.A O no hydrogen 2.997 N/A LYS 577.A N LEU 573.A O no hydrogen 2.978 N/A LYS 577.A NZ LEU 638.A O no hydrogen 2.710 N/A LYS 577.A NZ SER 640.A O no hydrogen 3.091 N/A VAL 578.A N SER 574.A O no hydrogen 2.987 N/A ASP 579.A N VAL 575.A O no hydrogen 3.002 N/A MET 580.A N MET 576.A O no hydrogen 3.005 N/A ARG 581.A N LYS 577.A O no hydrogen 2.923 N/A ARG 581.A NH2 VAL 636.A O no hydrogen 3.025 N/A HIS 582.A N VAL 578.A O no hydrogen 3.007 N/A LEU 583.A N ASP 579.A O no hydrogen 2.940 N/A SER 584.A N MET 580.A O no hydrogen 2.995 N/A MET 586.A N LEU 583.A O no hydrogen 3.503 N/A GLN 587.A NE2 LEU 594.A O no hydrogen 3.196 N/A GLN 587.A NE2 ALA 597.A O no hydrogen 3.025 N/A ARG 589.A N LEU 585.A O no hydrogen 2.996 N/A ARG 589.A NH2 ASN 658.A O no hydrogen 3.066 N/A PHE 590.A N MET 586.A O no hydrogen 2.889 N/A GLN 596.A NE2 GLU 86.A O no hydrogen 3.179 N/A ARG 598.A N HIS 601.A ND1 no hydrogen 3.046 N/A ARG 598.A NH1 ALA 597.A O no hydrogen 2.819 N/A HIS 601.A N ARG 598.A O no hydrogen 3.002 N/A TRP 603.A N PRO 599.A O no hydrogen 3.015 N/A LYS 604.A N SER 600.A O no hydrogen 2.905 N/A ALA 605.A N HIS 601.A O no hydrogen 2.912 N/A VAL 606.A N PHE 602.A O no hydrogen 2.930 N/A LEU 607.A N TRP 603.A O no hydrogen 3.002 N/A ASN 608.A N ALA 605.A O no hydrogen 3.317 N/A ASP 609.A N VAL 606.A O no hydrogen 3.246 N/A SER 610.A OG VAL 606.A O no hydrogen 3.491 N/A GLU 612.A N GLU 612.A OE1 no hydrogen 2.564 N/A LYS 615.A NZ LEU 607.A O no hydrogen 3.259 N/A ALA 616.A N GLU 612.A O no hydrogen 2.904 N/A VAL 617.A N ALA 613.A O no hydrogen 2.955 N/A MET 618.A N VAL 614.A O no hydrogen 2.970 N/A ASN 619.A N LYS 615.A O no hydrogen 2.855 N/A LEU 620.A N ALA 616.A O no hydrogen 2.982 N/A SER 621.A N MET 618.A O no hydrogen 3.059 N/A SER 621.A OG ARG 249.A O no hydrogen 2.341 N/A HIS 622.A N MET 618.A O no hydrogen 2.947 N/A HIS 622.A NE2 PRO 248.A O no hydrogen 3.167 N/A SER 623.A N ASN 619.A O no hydrogen 3.119 N/A ASN 625.A ND2 SER 621.A O no hydrogen 3.347 N/A MET 632.A N ASN 628.A O no hydrogen 3.439 N/A MET 633.A N ILE 629.A O no hydrogen 2.897 N/A ARG 634.A N ARG 630.A O no hydrogen 2.958 N/A TRP 635.A N ASP 631.A O no hydrogen 2.920 N/A VAL 636.A N MET 632.A O no hydrogen 2.901 N/A MET 637.A N MET 633.A O no hydrogen 2.967 N/A LEU 638.A N TRP 635.A O no hydrogen 3.298 N/A SER 640.A N LEU 638.A O no hydrogen 3.175 N/A SER 640.A OG PRO 639.A O no hydrogen 2.811 N/A GLN 642.A N SER 574.A OG no hydrogen 2.988 N/A GLN 642.A NE2 PRO 643.A O no hydrogen 3.419 N/A SER 644.A OG ALA 234.A O no hydrogen 2.969 N/A ALA 648.A N SER 644.A O no hydrogen 3.188 N/A LEU 649.A N LEU 645.A O no hydrogen 2.997 N/A GLU 650.A N LYS 646.A O no hydrogen 2.893 N/A GLU 651.A N LEU 647.A O no hydrogen 2.952 N/A GLU 652.A N ALA 648.A O no hydrogen 2.981 N/A ALA 653.A N LEU 649.A O no hydrogen 2.877 N/A TRP 654.A N GLU 650.A O no hydrogen 2.969 N/A TRP 654.A NE1 ASP 579.A OD1 no hydrogen 2.813 N/A ALA 655.A N GLU 651.A O no hydrogen 2.980 N/A ALA 656.A N GLU 652.A O no hydrogen 2.898 N/A ALA 657.A N ALA 653.A O no hydrogen 2.902 N/A ASN 658.A N ALA 655.A O no hydrogen 3.336 N/A GLU 661.A N ASP 659.A OD1 no hydrogen 3.284 N/A ASP 662.A N ASP 659.A O no hydrogen 3.336 N/A LEU 663.A N PHE 660.A O no hydrogen 2.922 N/A MET 664.A N GLU 661.A O no hydrogen 3.204 N/A THR 666.A N ARG 745.A O no hydrogen 3.274 N/A GLN 668.A NE2 ASP 667.A OD1 no hydrogen 2.588 N/A VAL 669.A N ASP 667.A O no hydrogen 2.937 N/A TYR 670.A N LYS 816.A O no hydrogen 2.906 N/A TYR 670.A OH GLN 668.A OE1 no hydrogen 2.752 N/A MET 671.A N VAL 738.A O no hydrogen 2.931 N/A HIS 672.A NE2 ASP 735.A OD2 no hydrogen 2.841 N/A ARG 673.A NH1 ASP 733.A OD1 no hydrogen 2.838 N/A ARG 673.A NH2 ASP 733.A OD1 no hydrogen 3.313 N/A ASP 674.A N THR 813.A O no hydrogen 3.157 N/A MET 675.A N ASP 674.A OD1 no hydrogen 2.880 N/A LEU 676.A N THR 811.A O no hydrogen 3.277 N/A LEU 681.A N PRO 802.A O no hydrogen 3.012 N/A GLU 685.A N GLU 685.A OE1 no hydrogen 2.600 N/A PHE 687.A N ASP 683.A O no hydrogen 3.170 N/A ARG 688.A N ILE 684.A O no hydrogen 2.893 N/A GLN 689.A N GLU 685.A O no hydrogen 2.940 N/A GLN 689.A NE2 ASP 65.A OD2 no hydrogen 2.550 N/A PHE 692.A N GLU 690.A O no hydrogen 2.958 N/A TYR 694.A N LEU 792.A O no hydrogen 2.913 N/A THR 695.A OG1 PHE 790.A O no hydrogen 3.198 N/A ASN 696.A ND2 THR 788.A O no hydrogen 3.264 N/A ASN 696.A ND2 THR 815.A O no hydrogen 3.672 N/A MET 697.A N THR 695.A OG1 no hydrogen 3.239 N/A LEU 698.A N VAL 817.A O no hydrogen 2.963 N/A ARG 706.A N GLU 703.A O no hydrogen 3.189 N/A ARG 706.A NE ASP 736.A OD1 no hydrogen 3.568 N/A ARG 706.A NH2 ASP 735.A O no hydrogen 3.073 N/A VAL 708.A N TRP 737.A O no hydrogen 2.885 N/A TYR 710.A N ARG 739.A O no hydrogen 3.128 N/A GLU 713.A N GLU 713.A OE1 no hydrogen 2.952 N/A ALA 715.A N THR 711.A O no hydrogen 3.484 N/A ARG 716.A N TYR 712.A O no hydrogen 2.924 N/A LEU 717.A N GLU 713.A O no hydrogen 2.926 N/A GLN 718.A N ILE 714.A O no hydrogen 2.959 N/A ALA 719.A N ALA 715.A O no hydrogen 2.893 N/A ASN 720.A N ARG 716.A O no hydrogen 2.895 N/A MET 721.A N LEU 717.A O no hydrogen 2.979 N/A GLY 722.A N ALA 719.A O no hydrogen 3.107 N/A GLN 723.A N GLN 718.A O no hydrogen 2.721 N/A ALA 727.A N GLN 723.A O no hydrogen 2.892 N/A LEU 728.A N PHE 724.A O no hydrogen 2.974 N/A ARG 729.A N ARG 725.A O no hydrogen 2.931 N/A ARG 729.A NE ASP 733.A OD2 no hydrogen 2.731 N/A ARG 730.A N ALA 726.A O no hydrogen 2.899 N/A ILE 731.A N ALA 727.A O no hydrogen 2.921 N/A MET 732.A N LEU 728.A O no hydrogen 2.941 N/A ASP 733.A N ARG 729.A O no hydrogen 2.927 N/A ASP 734.A N ILE 731.A O no hydrogen 3.169 N/A ASP 735.A N MET 732.A O no hydrogen 3.324 N/A TRP 737.A N ARG 706.A O no hydrogen 3.216 N/A VAL 738.A N MET 671.A O no hydrogen 3.165 N/A ARG 739.A N VAL 708.A O no hydrogen 3.234 N/A ARG 739.A NE GLN 709.A OE1 no hydrogen 2.991 N/A ARG 739.A NH1 ASP 667.A O no hydrogen 3.415 N/A GLY 741.A N TYR 710.A O no hydrogen 3.087 N/A ARG 745.A N THR 666.A O no hydrogen 2.719 N/A ARG 745.A NE ALA 784.A O no hydrogen 3.585 N/A ARG 745.A NH2 PHE 740.A O no hydrogen 2.483 N/A ARG 748.A N THR 787.A O no hydrogen 3.217 N/A ARG 748.A NE GLU 786.A OE2 no hydrogen 2.542 N/A ARG 748.A NH2 GLU 786.A OE2 no hydrogen 2.991 N/A LYS 750.A N ILE 789.A O no hydrogen 3.100 N/A TYR 752.A N TYR 791.A O no hydrogen 3.109 N/A LEU 761.A N PRO 757.A O no hydrogen 3.358 N/A SER 767.A N LYS 782.A O no hydrogen 2.888 N/A ASP 769.A N THR 780.A O no hydrogen 2.916 N/A ASN 771.A N TYR 778.A O no hydrogen 2.931 N/A ARG 773.A N LEU 776.A O no hydrogen 2.922 N/A LEU 776.A N ARG 773.A O no hydrogen 2.920 N/A TYR 778.A N ASN 771.A O no hydrogen 2.893 N/A THR 780.A N ASP 769.A O no hydrogen 2.897 N/A LYS 782.A N SER 767.A O no hydrogen 2.944 N/A TYR 783.A OH THR 711.A O no hydrogen 3.226 N/A ALA 784.A N PRO 765.A O no hydrogen 3.134 N/A THR 787.A N THR 746.A O no hydrogen 3.234 N/A ILE 789.A N ARG 748.A O no hydrogen 2.853 N/A PHE 790.A N ASN 696.A OD1 no hydrogen 3.338 N/A TYR 791.A N LYS 750.A O no hydrogen 3.246 N/A LEU 792.A N TYR 694.A O no hydrogen 2.876 N/A ILE 793.A N TYR 752.A O no hydrogen 3.250 N/A TYR 794.A OH PRO 677.A O no hydrogen 3.015 N/A ASN 795.A ND2 ASP 753.A O no hydrogen 3.110 N/A VAL 796.A N GLN 62.A OE1 no hydrogen 3.243 N/A GLU 797.A N ASN 800.A OD1 no hydrogen 3.067 N/A PHE 798.A N GLU 797.A OE1 no hydrogen 2.655 N/A ASN 800.A N GLU 797.A O no hydrogen 3.064 N/A ASN 800.A ND2 SER 804.A OG no hydrogen 3.285 N/A SER 804.A N THR 801.A O no hydrogen 3.197 N/A SER 804.A OG THR 801.A O no hydrogen 2.820 N/A LEU 807.A N GLU 678.A OE1 no hydrogen 2.784 N/A THR 813.A N ASP 674.A O no hydrogen 2.843 N/A THR 815.A OG1 MET 814.A O no hydrogen 2.728 N/A LYS 816.A N TYR 670.A O no hydrogen 3.100 N/A LYS 816.A NZ ASP 674.A OD2 no hydrogen 3.243 N/A VAL 817.A N ASN 696.A O no hydrogen 3.417 N/A PHE 818.A N GLN 668.A O no hydrogen 3.264 N/A ASN 820.A N GLU 661.A OE1 no hydrogen 2.321 N/A LYS 821.A NZ ASP 662.A OD1 no hydrogen 3.510 N/A GLU 825.A N ARG 69.A O no hydrogen 2.987 N/A ARG 826.A NH1 GLY 691.A O no hydrogen 2.790 N/A VAL 827.A N VAL 67.A O no hydrogen 2.934 N/A VAL 829.A N ASP 65.A O no hydrogen 3.171 N/A GLN 831.A N ARG 828.A O no hydrogen 3.307 N/A ALA 834.A N GLN 831.A O no hydrogen 3.300 N/A ARG 838.A N GLY 173.A O no hydrogen 2.915 N/A ARG 838.A NE CYS 175.A O no hydrogen 3.133 N/A PHE 840.A N PHE 171.A O no hydrogen 2.900 N/A VAL 841.A N TYR 183.A OH no hydrogen 3.257 N/A ALA 842.A N ASP 169.A O no hydrogen 2.884 N/A TYR 843.A OH GLN 187.A OE1 no hydrogen 3.138 N/A LYS 844.A NZ ASP 167.A OD2 no hydrogen 2.294 N/A ARG 848.A NE THR 229.A OG1 no hydrogen 3.193 N/A ARG 848.A NH2 ASP 223.A OD2 no hydrogen 2.325 N/A MET 850.A N ILE 230.A O no hydrogen 3.454 N/A ILE 852.A N VAL 232.A O no hydrogen 3.514 N/A THR 853.A N ASP 851.A OD1 no hydrogen 3.137 N/A THR 853.A OG1 ASP 851.A OD1 no hydrogen 2.995 N/A SER 855.A N ILE 852.A O no hydrogen 3.324 N/A SER 855.A OG ILE 852.A O no hydrogen 2.597 N/A LEU 856.A N THR 853.A O no hydrogen 2.949 N/A THR 860.A N THR 215.A O no hydrogen 2.897 N/A LYS 861.A NZ ASN 556.A O no hydrogen 3.468 N/A LEU 862.A N ARG 213.A O no hydrogen 3.365 N/A