Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k1d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 10.A N GLU 6.A O no hydrogen 2.786 N/A ALA 11.A N PRO 7.A O no hydrogen 2.750 N/A ARG 12.A N ALA 8.A O no hydrogen 3.127 N/A ARG 12.A NE THR 17.A O no hydrogen 3.160 N/A ARG 12.A NH1 GLU 9.A OE2 no hydrogen 3.014 N/A ARG 12.A NH2 THR 17.A O no hydrogen 3.456 N/A LEU 13.A N GLU 9.A O no hydrogen 2.870 N/A VAL 14.A N MET 10.A O no hydrogen 3.085 N/A ALA 15.A N ALA 11.A O no hydrogen 3.001 N/A THR 17.A N ARG 12.A O no hydrogen 2.867 N/A HIS 18.A NE2 GLU 9.A OE1 no hydrogen 2.760 N/A ASN 20.A N HIS 18.A ND1 no hydrogen 2.921 N/A GLY 23.A N ASN 20.A O no hydrogen 2.975 N/A ILE 24.A N PRO 21.A O no hydrogen 2.958 N/A LEU 25.A N PRO 21.A O no hydrogen 2.821 N/A GLY 26.A N ARG 37.A O no hydrogen 3.054 N/A HIS 28.A N VAL 35.A O no hydrogen 2.803 N/A HIS 28.A NE2 HIS 22.A O no hydrogen 2.991 N/A TYR 30.A N HIS 33.A O no hydrogen 3.385 N/A ASP 32.A N TYR 30.A O no hydrogen 2.599 N/A THR 34.A N PHE 71.A O no hydrogen 3.401 N/A THR 34.A OG1 PHE 71.A O no hydrogen 3.325 N/A VAL 35.A N HIS 28.A O no hydrogen 2.687 N/A ARG 37.A N GLY 26.A O no hydrogen 2.864 N/A ARG 37.A NE LEU 3.A O no hydrogen 3.056 N/A ARG 37.A NH1 ILE 24.A O no hydrogen 2.954 N/A ARG 37.A NH1 TYR 30.A OH no hydrogen 2.972 N/A ARG 37.A NH2 TYR 30.A OH no hydrogen 2.617 N/A ALA 38.A N PHE 65.A O no hydrogen 3.005 N/A ARG 40.A N GLY 63.A O no hydrogen 3.087 N/A VAL 44.A N THR 82.A O no hydrogen 2.943 N/A LEU 49.A N ARG 78.A O no hydrogen 2.832 N/A VAL 50.A N ASP 53.A O no hydrogen 2.985 N/A ASP 53.A N VAL 50.A O no hydrogen 2.986 N/A ARG 54.A NH2 GLN 80.A OE1 no hydrogen 2.719 N/A SER 56.A OG ALA 48.A O no hydrogen 2.943 N/A SER 56.A OG PHE 55.A O no hydrogen 2.425 N/A PHE 65.A N ALA 38.A O no hydrogen 2.930 N/A VAL 67.A N ILE 36.A O no hydrogen 2.819 N/A ASP 73.A N GLU 29.A OE2 no hydrogen 3.004 N/A LEU 74.A N VAL 72.A O no hydrogen 2.722 N/A ILE 75.A N ASP 73.A O no hydrogen 2.572 N/A TYR 77.A OH ASP 93.A OD2 no hydrogen 2.614 N/A ARG 78.A NH1 THR 90.A OG1 no hydrogen 3.322 N/A LEU 79.A N VAL 91.A O no hydrogen 2.916 N/A GLN 80.A N VAL 46.A O no hydrogen 3.245 N/A GLN 80.A N VAL 47.A O no hydrogen 3.205 N/A CYS 86.A SG GLU 87.A O no hydrogen 3.671 N/A HIS 89.A N VAL 81.A O no hydrogen 3.212 N/A VAL 91.A N LEU 79.A O no hydrogen 2.852 N/A TYR 95.A OH PRO 165.A O no hydrogen 2.782 N/A ARG 96.A N ASP 93.A O no hydrogen 3.231 N/A PHE 97.A N ALA 94.A O no hydrogen 3.039 N/A THR 100.A N GLU 176.A OE2 no hydrogen 2.843 N/A THR 100.A OG1 SER 139.A OG no hydrogen 2.849 N/A THR 100.A OG1 GLU 176.A OE2 no hydrogen 2.584 N/A LEU 106.A N GLY 102.A O no hydrogen 3.366 N/A HIS 107.A N GLU 103.A O no hydrogen 2.989 N/A LEU 108.A N VAL 104.A O no hydrogen 3.017 N/A PHE 109.A N ASP 105.A O no hydrogen 2.988 N/A ALA 110.A N LEU 106.A O no hydrogen 2.927 N/A GLU 111.A N HIS 107.A O no hydrogen 3.140 N/A GLU 111.A N LEU 108.A O no hydrogen 3.222 N/A GLY 112.A N PHE 109.A O no hydrogen 2.775 N/A ARG 113.A N LEU 108.A O no hydrogen 2.947 N/A ARG 113.A NH1 GLU 111.A OE1 no hydrogen 2.704 N/A ARG 113.A NH1 GLU 111.A OE2 no hydrogen 3.519 N/A HIS 114.A NE2 ASP 105.A OD1 no hydrogen 3.018 N/A ARG 116.A N HIS 114.A ND1 no hydrogen 3.055 N/A GLU 119.A N ARG 116.A O no hydrogen 2.996 N/A VAL 120.A N LEU 117.A O no hydrogen 2.986 N/A LEU 121.A N LEU 117.A O no hydrogen 3.009 N/A GLY 122.A N ALA 141.A O no hydrogen 2.990 N/A HIS 124.A N SER 139.A O no hydrogen 2.971 N/A HIS 124.A NE2 TRP 118.A O no hydrogen 2.686 N/A ARG 126.A N GLY 137.A O no hydrogen 2.753 N/A SER 127.A OG SER 136.A OG no hydrogen 2.673 N/A PHE 128.A N VAL 135.A O no hydrogen 2.780 N/A THR 130.A N GLY 133.A O no hydrogen 2.903 N/A THR 130.A OG1 GLY 133.A O no hydrogen 2.782 N/A ASP 132.A N ASP 76.A OD2 no hydrogen 2.742 N/A VAL 135.A N PHE 128.A O no hydrogen 2.625 N/A SER 136.A OG SER 127.A OG no hydrogen 2.673 N/A GLY 137.A N ARG 126.A O no hydrogen 2.886 N/A VAL 138.A N TRP 179.A O no hydrogen 3.329 N/A SER 139.A N HIS 124.A O no hydrogen 2.832 N/A SER 139.A OG THR 100.A OG1 no hydrogen 2.849 N/A PHE 140.A N LEU 177.A O no hydrogen 2.738 N/A ALA 141.A N GLY 122.A O no hydrogen 3.039 N/A VAL 142.A N TRP 175.A O no hydrogen 2.952 N/A ALA 144.A N GLY 173.A O no hydrogen 2.751 N/A ASN 146.A N ASP 349.A OD2 no hydrogen 2.972 N/A ASN 146.A ND2 ASP 349.A OD2 no hydrogen 2.933 N/A ALA 147.A N ALA 144.A O no hydrogen 3.263 N/A LYS 148.A N HIS 193.A O no hydrogen 2.738 N/A LYS 148.A NZ ASN 146.A O no hydrogen 3.357 N/A SER 151.A N ARG 191.A O no hydrogen 2.931 N/A LEU 152.A N ALA 164.A O no hydrogen 2.815 N/A ILE 153.A N LYS 189.A O no hydrogen 3.099 N/A ASN 157.A N GLY 154.A O no hydrogen 2.940 N/A ASN 157.A ND2 GLU 163.A OE2 no hydrogen 3.174 N/A GLY 158.A N GLU 155.A O no hydrogen 3.214 N/A TRP 159.A N GLY 154.A O no hydrogen 2.840 N/A ASN 160.A N ASN 157.A O no hydrogen 3.395 N/A MET 166.A N VAL 150.A O no hydrogen 2.681 N/A ARG 167.A N GLU 176.A O no hydrogen 3.132 N/A ARG 167.A NE GLU 176.A OE1 no hydrogen 2.949 N/A ARG 167.A NH2 PHE 97.A O no hydrogen 3.019 N/A ARG 167.A NH2 GLU 176.A OE1 no hydrogen 3.332 N/A VAL 168.A N HIS 19.A O no hydrogen 3.013 N/A LEU 169.A N VAL 174.A O no hydrogen 2.854 N/A SER 172.A N LEU 169.A O no hydrogen 3.350 N/A SER 172.A OG LEU 169.A O no hydrogen 2.520 N/A VAL 174.A N SER 172.A OG no hydrogen 3.240 N/A TRP 175.A N VAL 142.A O no hydrogen 2.679 N/A TRP 175.A NE1 ALA 144.A O no hydrogen 2.851 N/A GLU 176.A N ARG 167.A O no hydrogen 2.723 N/A LEU 177.A N PHE 140.A O no hydrogen 3.064 N/A TRP 179.A N VAL 138.A O no hydrogen 2.932 N/A ASP 181.A N SER 136.A O no hydrogen 2.608 N/A PHE 182.A N TRP 179.A O no hydrogen 3.210 N/A GLY 186.A N PRO 183.A O no hydrogen 3.261 N/A TYR 188.A N SER 218.A O no hydrogen 2.916 N/A TYR 188.A OH ASP 204.A OD2 no hydrogen 2.808 N/A LYS 189.A N ILE 153.A O no hydrogen 2.944 N/A LYS 189.A NZ THR 216.A OG1 no hydrogen 2.788 N/A PHE 190.A N ARG 202.A O no hydrogen 2.848 N/A ARG 191.A N SER 151.A O no hydrogen 2.758 N/A ARG 191.A NH2 TRP 159.A O no hydrogen 3.555 N/A VAL 192.A N THR 200.A O no hydrogen 2.701 N/A HIS 193.A N GLY 149.A O no hydrogen 2.857 N/A GLY 194.A N VAL 198.A O no hydrogen 2.988 N/A ALA 195.A N ASP 349.A O no hydrogen 2.857 N/A GLY 197.A N GLY 194.A O no hydrogen 3.002 N/A VAL 198.A N ASP 196.A OD1 no hydrogen 3.240 N/A THR 200.A N VAL 192.A O no hydrogen 2.815 N/A ARG 202.A N PHE 190.A O no hydrogen 2.882 N/A ARG 202.A NE THR 200.A OG1 no hydrogen 2.996 N/A ARG 202.A NH1 ALA 344.A O no hydrogen 3.087 N/A ARG 202.A NH1 GLY 346.A O no hydrogen 2.817 N/A ARG 202.A NH2 GLY 346.A O no hydrogen 2.802 N/A ALA 203.A N TRP 343.A O no hydrogen 3.013 N/A ASP 204.A N SER 218.A OG no hydrogen 2.859 N/A PHE 206.A N ASP 204.A OD1 no hydrogen 2.604 N/A ALA 207.A N ASP 204.A O no hydrogen 2.885 N/A THR 210.A OG1 GLU 211.A O no hydrogen 3.417 N/A THR 210.A OG1 GLU 288.A OE1 no hydrogen 2.777 N/A THR 210.A OG1 SER 307.A OG no hydrogen 3.315 N/A GLU 211.A N ALA 217.A O no hydrogen 2.865 N/A GLN 215.A N VAL 212.A O no hydrogen 2.948 N/A ALA 217.A N GLU 211.A OE2 no hydrogen 3.143 N/A SER 218.A N TYR 188.A O no hydrogen 3.066 N/A ARG 219.A N GLY 209.A O no hydrogen 2.974 N/A ARG 219.A NH1 ASP 185.A O no hydrogen 2.916 N/A VAL 220.A N GLY 186.A O no hydrogen 3.040 N/A THR 221.A OG1 ARG 219.A O no hydrogen 2.885 N/A SER 223.A OG ASP 313.A OD1 no hydrogen 2.623 N/A TYR 225.A N SER 223.A OG no hydrogen 3.259 N/A TYR 225.A OH ASP 320.A OD2 no hydrogen 2.788 N/A GLY 228.A N ASP 320.A OD1 no hydrogen 3.289 N/A GLY 228.A N ASP 320.A OD2 no hydrogen 2.930 N/A TRP 232.A NE1 ASP 397.A OD1 no hydrogen 2.854 N/A MET 233.A N ASP 229.A O no hydrogen 3.008 N/A ALA 234.A N ASP 230.A O no hydrogen 2.937 N/A GLY 235.A N ASP 231.A O no hydrogen 2.947 N/A ARG 236.A N TRP 232.A O no hydrogen 2.903 N/A ARG 236.A NH1 HIS 395.A O no hydrogen 3.544 N/A ARG 236.A NH1 ASP 397.A OD1 no hydrogen 2.843 N/A LEU 238.A N GLY 235.A O no hydrogen 3.020 N/A ARG 239.A N ARG 236.A O no hydrogen 3.248 N/A VAL 242.A N ASN 240.A OD1 no hydrogen 3.316 N/A ASN 243.A N ASN 240.A O no hydrogen 2.836 N/A GLU 244.A N PRO 241.A O no hydrogen 2.985 N/A MET 246.A N TYR 606.A OH no hydrogen 2.747 N/A SER 247.A N THR 279.A OG1 no hydrogen 2.877 N/A SER 247.A OG ASN 603.A OD1 no hydrogen 2.543 N/A THR 248.A N GLN 561.A O no hydrogen 2.709 N/A THR 248.A OG1 GLN 561.A O no hydrogen 2.905 N/A TYR 249.A N HIS 280.A O no hydrogen 2.980 N/A TYR 249.A OH GLU 568.A OE2 no hydrogen 2.526 N/A GLU 250.A N LEU 563.A O no hydrogen 2.875 N/A VAL 251.A N GLU 282.A O no hydrogen 2.726 N/A HIS 252.A ND1 SER 255.A OG no hydrogen 2.855 N/A SER 255.A N HIS 252.A O no hydrogen 3.170 N/A SER 255.A OG HIS 252.A ND1 no hydrogen 2.855 N/A TRP 256.A N HIS 252.A O no hydrogen 3.121 N/A TRP 256.A NE1 TYR 249.A OH no hydrogen 3.071 N/A ARG 257.A NH1 GLU 268.A OE1 no hydrogen 2.744 N/A LEU 260.A N ARG 257.A O no hydrogen 3.299 N/A SER 261.A N GLN 264.A OE1 no hydrogen 2.965 N/A SER 261.A OG GLN 264.A OE1 no hydrogen 3.405 N/A TYR 262.A N PHE 309.A O no hydrogen 2.875 N/A TYR 262.A OH THR 306.A O no hydrogen 2.674 N/A ARG 263.A NE ASP 314.A OD1 no hydrogen 2.706 N/A ARG 263.A NH2 ASP 314.A OD1 no hydrogen 3.424 N/A GLN 264.A N SER 261.A OG no hydrogen 3.367 N/A LEU 265.A N SER 261.A O no hydrogen 2.899 N/A ALA 266.A N TYR 262.A O no hydrogen 2.861 N/A ARG 267.A N GLN 264.A O no hydrogen 3.058 N/A GLU 268.A N GLN 264.A O no hydrogen 2.892 N/A LEU 269.A N LEU 265.A O no hydrogen 2.860 N/A THR 270.A OG1 ALA 266.A O no hydrogen 2.657 N/A ASP 271.A N ARG 267.A O no hydrogen 2.983 N/A TYR 272.A N GLU 268.A O no hydrogen 2.936 N/A TYR 272.A OH GLU 568.A OE2 no hydrogen 2.791 N/A ILE 273.A N LEU 269.A O no hydrogen 2.934 N/A VAL 274.A N THR 270.A O no hydrogen 2.980 N/A ASP 275.A N ASP 271.A O no hydrogen 2.983 N/A GLN 276.A N TYR 272.A O no hydrogen 2.940 N/A GLN 276.A N ILE 273.A O no hydrogen 3.263 N/A GLY 277.A N ILE 273.A O no hydrogen 2.991 N/A GLY 277.A N VAL 274.A O no hydrogen 3.284 N/A PHE 278.A N ILE 273.A O no hydrogen 3.359 N/A THR 279.A N SER 247.A O no hydrogen 3.058 N/A THR 279.A OG1 SER 247.A O no hydrogen 3.330 N/A THR 279.A OG1 HIS 280.A ND1 no hydrogen 2.567 N/A HIS 280.A N SER 247.A O no hydrogen 3.056 N/A HIS 280.A ND1 THR 279.A OG1 no hydrogen 2.567 N/A VAL 281.A N GLY 328.A O no hydrogen 3.002 N/A GLU 282.A N TYR 249.A O no hydrogen 3.033 N/A LEU 283.A N ILE 330.A O no hydrogen 2.718 N/A LEU 284.A N VAL 251.A O no hydrogen 2.913 N/A GLU 288.A N ALA 304.A O no hydrogen 2.771 N/A HIS 289.A N GLU 288.A OE2 no hydrogen 2.978 N/A HIS 289.A ND1 ALA 287.A O no hydrogen 2.840 N/A SER 294.A N PHE 291.A O no hydrogen 2.954 N/A SER 294.A OG PHE 291.A O no hydrogen 2.697 N/A TRP 295.A N ALA 292.A O no hydrogen 2.864 N/A GLY 296.A N SER 294.A OG no hydrogen 3.239 N/A TYR 297.A N SER 294.A O no hydrogen 3.193 N/A TYR 297.A OH ASP 332.A OD2 no hydrogen 2.749 N/A THR 300.A N GLU 288.A O no hydrogen 2.959 N/A THR 300.A OG1 GLU 288.A O no hydrogen 3.461 N/A SER 301.A N GLU 288.A O no hydrogen 3.395 N/A TYR 302.A OH VAL 334.A O no hydrogen 2.803 N/A TYR 303.A OH PHE 382.A O no hydrogen 2.813 N/A ALA 304.A N SER 301.A O no hydrogen 3.302 N/A THR 306.A N VAL 286.A O no hydrogen 2.766 N/A THR 306.A OG1 GLU 288.A OE1 no hydrogen 3.301 N/A THR 306.A OG1 GLU 288.A OE2 no hydrogen 2.823 N/A SER 307.A N GLU 288.A OE1 no hydrogen 2.926 N/A SER 307.A OG THR 210.A O no hydrogen 3.316 N/A SER 307.A OG THR 210.A OG1 no hydrogen 3.315 N/A SER 307.A OG GLU 288.A OE1 no hydrogen 3.225 N/A ARG 308.A N THR 306.A OG1 no hydrogen 3.429 N/A ARG 308.A NE THR 306.A OG1 no hydrogen 3.019 N/A ARG 308.A NH1 HIS 289.A O no hydrogen 3.357 N/A ARG 308.A NH2 HIS 289.A O no hydrogen 2.513 N/A ARG 308.A NH2 THR 306.A OG1 no hydrogen 3.031 N/A GLY 310.A N SER 307.A O no hydrogen 3.404 N/A THR 311.A N ASP 314.A OD2 no hydrogen 2.912 N/A ASP 314.A N THR 311.A OG1 no hydrogen 3.217 N/A PHE 315.A N THR 311.A O no hydrogen 2.953 N/A ARG 316.A N PRO 312.A O no hydrogen 2.878 N/A ARG 316.A NE GLU 393.A O no hydrogen 3.263 N/A ALA 317.A N ASP 313.A O no hydrogen 2.961 N/A LEU 318.A N ASP 314.A O no hydrogen 3.314 N/A VAL 319.A N PHE 315.A O no hydrogen 3.111 N/A ASP 320.A N ARG 316.A O no hydrogen 2.687 N/A ALA 321.A N ALA 317.A O no hydrogen 2.908 N/A LEU 322.A N LEU 318.A O no hydrogen 3.028 N/A HIS 323.A N VAL 319.A O no hydrogen 2.982 N/A HIS 323.A ND1 ILE 327.A O no hydrogen 3.350 N/A HIS 323.A NE2 HIS 395.A O no hydrogen 3.080 N/A GLN 324.A N ASP 320.A O no hydrogen 3.016 N/A GLN 324.A NE2 ASP 320.A OD1 no hydrogen 3.032 N/A ALA 325.A N ALA 321.A O no hydrogen 3.228 N/A ALA 325.A N LEU 322.A O no hydrogen 2.999 N/A GLY 326.A N HIS 323.A O no hydrogen 3.037 N/A ILE 327.A N LEU 322.A O no hydrogen 2.915 N/A GLY 328.A N THR 279.A O no hydrogen 2.986 N/A VAL 329.A N ASP 397.A OD2 no hydrogen 2.682 N/A ILE 330.A N VAL 281.A O no hydrogen 2.889 N/A VAL 331.A N GLY 398.A O no hydrogen 3.044 N/A ASP 332.A N LEU 283.A O no hydrogen 2.904 N/A TRP 333.A N ARG 400.A O no hydrogen 2.878 N/A HIS 337.A N VAL 334.A O no hydrogen 3.450 N/A ALA 344.A N ASP 341.A O no hydrogen 2.989 N/A ARG 347.A N GLU 355.A OE2 no hydrogen 3.010 N/A GLY 350.A N ARG 347.A O no hydrogen 3.255 N/A THR 351.A N ASP 349.A OD1 no hydrogen 3.003 N/A THR 351.A OG1 ASP 349.A OD1 no hydrogen 2.540 N/A LEU 353.A N THR 351.A O no hydrogen 2.642 N/A GLU 355.A N GLU 355.A OE1 no hydrogen 2.553 N/A HIS 356.A N VAL 371.A O no hydrogen 2.864 N/A ASP 373.A N TYR 354.A O no hydrogen 2.806 N/A PHE 374.A N PHE 372.A O no hydrogen 3.144 N/A GLY 375.A N ASP 373.A OD1 no hydrogen 3.019 N/A ARG 376.A N ASP 373.A O no hydrogen 2.930 N/A GLU 378.A N GLU 378.A OE1 no hydrogen 2.786 N/A ARG 380.A N ARG 376.A O no hydrogen 2.826 N/A ARG 380.A NH1 PHE 374.A O no hydrogen 3.224 N/A ASN 381.A N PRO 377.A O no hydrogen 2.848 N/A PHE 382.A N GLU 378.A O no hydrogen 2.869 N/A LEU 383.A N VAL 379.A O no hydrogen 3.052 N/A VAL 384.A N ARG 380.A O no hydrogen 2.781 N/A ALA 385.A N ASN 381.A O no hydrogen 2.926 N/A ASN 386.A N LEU 383.A O no hydrogen 3.065 N/A ALA 387.A N LEU 383.A O no hydrogen 3.175 N/A LEU 388.A N VAL 384.A O no hydrogen 3.200 N/A TYR 389.A N ALA 385.A O no hydrogen 2.727 N/A TYR 389.A OH TYR 303.A O no hydrogen 3.017 N/A TRP 390.A N ASN 386.A O no hydrogen 3.130 N/A TRP 390.A NE1 TYR 302.A O no hydrogen 2.889 N/A LEU 391.A N ALA 387.A O no hydrogen 3.261 N/A GLN 392.A N LEU 388.A O no hydrogen 2.865 N/A GLU 393.A N TYR 389.A O no hydrogen 2.754 N/A PHE 394.A N TRP 390.A O no hydrogen 3.263 N/A HIS 395.A ND1 ASP 229.A OD2 no hydrogen 2.827 N/A ILE 396.A N TRP 390.A O no hydrogen 3.179 N/A ASP 397.A N VAL 329.A O no hydrogen 2.822 N/A GLY 398.A N VAL 329.A O no hydrogen 3.253 N/A LEU 399.A N VAL 451.A O no hydrogen 2.871 N/A ARG 400.A N VAL 331.A O no hydrogen 3.089 N/A ARG 400.A NE ASP 332.A OD1 no hydrogen 2.769 N/A ARG 400.A NH2 ASP 332.A OD2 no hydrogen 2.926 N/A VAL 401.A N ILE 453.A O no hydrogen 2.715 N/A ALA 403.A N GLU 455.A OE1 no hydrogen 2.826 N/A VAL 404.A N GLU 455.A O no hydrogen 3.192 N/A SER 406.A N ALA 403.A O no hydrogen 3.117 N/A SER 406.A OG ALA 403.A O no hydrogen 2.604 N/A MET 407.A N VAL 404.A O no hydrogen 2.821 N/A LEU 408.A N VAL 404.A O no hydrogen 3.004 N/A TYR 409.A N ALA 405.A O no hydrogen 3.207 N/A LEU 410.A N ARG 427.A O no hydrogen 3.033 N/A THR 420.A OG1 ASN 422.A OD1 no hydrogen 3.541 N/A ASN 429.A N LEU 408.A O no hydrogen 2.887 N/A ALA 432.A N ASN 429.A OD1 no hydrogen 3.025 N/A VAL 433.A N ASN 429.A O no hydrogen 3.083 N/A GLN 434.A N LEU 430.A O no hydrogen 3.005 N/A PHE 435.A N GLU 431.A O no hydrogen 2.890 N/A LEU 436.A N ALA 432.A O no hydrogen 2.872 N/A GLN 437.A N VAL 433.A O no hydrogen 3.010 N/A GLN 437.A NE2 GLY 471.A O no hydrogen 2.963 N/A GLU 438.A N GLN 434.A O no hydrogen 3.024 N/A MET 439.A N PHE 435.A O no hydrogen 2.887 N/A ASN 440.A N LEU 436.A O no hydrogen 3.049 N/A ALA 441.A N GLN 437.A O no hydrogen 2.921 N/A THR 442.A N GLU 438.A O no hydrogen 2.843 N/A THR 442.A OG1 GLU 438.A O no hydrogen 2.609 N/A ALA 443.A N MET 439.A O no hydrogen 2.914 N/A HIS 444.A N ASN 440.A O no hydrogen 3.020 N/A HIS 444.A NE2 THR 452.A OG1 no hydrogen 3.197 N/A LYS 445.A N ALA 441.A O no hydrogen 3.099 N/A LYS 445.A N THR 442.A O no hydrogen 3.229 N/A LYS 445.A NZ GLU 115.A OE2 no hydrogen 3.203 N/A VAL 446.A N THR 442.A O no hydrogen 2.888 N/A ALA 447.A N ALA 443.A O no hydrogen 2.805 N/A ILE 450.A N ALA 447.A O no hydrogen 3.297 N/A VAL 451.A N ASP 397.A O no hydrogen 3.001 N/A THR 452.A N SER 475.A OG no hydrogen 3.049 N/A THR 452.A OG1 HIS 444.A NE2 no hydrogen 3.197 N/A ILE 453.A N LEU 399.A O no hydrogen 2.672 N/A ALA 454.A N MET 476.A O no hydrogen 2.955 N/A GLU 455.A N VAL 401.A O no hydrogen 3.014 N/A THR 458.A OG1 GLU 456.A OE2 no hydrogen 2.411 N/A VAL 463.A N GLU 514.A OE2 no hydrogen 3.071 N/A THR 464.A N GLU 514.A OE1 no hydrogen 2.864 N/A THR 464.A OG1 GLU 514.A OE1 no hydrogen 2.506 N/A ARG 465.A N GLY 462.A O no hydrogen 2.997 N/A ILE 469.A N PRO 466.A O no hydrogen 3.145 N/A GLY 470.A N THR 467.A O no hydrogen 3.222 N/A GLY 471.A N PRO 466.A O no hydrogen 3.041 N/A LEU 472.A N GLY 462.A O no hydrogen 3.223 N/A GLY 473.A N ARG 465.A O no hydrogen 3.047 N/A PHE 474.A N VAL 463.A O no hydrogen 3.215 N/A SER 475.A N THR 452.A O no hydrogen 2.879 N/A SER 475.A N THR 452.A OG1 no hydrogen 3.256 N/A SER 475.A OG THR 452.A O no hydrogen 3.553 N/A MET 476.A N THR 452.A O no hydrogen 3.117 N/A LYS 477.A N ASN 515.A O no hydrogen 2.936 N/A TRP 478.A N ALA 454.A O no hydrogen 2.846 N/A ASN 479.A N VAL 517.A O no hydrogen 2.963 N/A TRP 482.A N ASN 479.A OD1 no hydrogen 2.863 N/A MET 483.A N ASN 479.A O no hydrogen 3.258 N/A HIS 484.A N MET 480.A O no hydrogen 2.972 N/A ASP 485.A N GLY 481.A O no hydrogen 2.963 N/A THR 486.A N TRP 482.A O no hydrogen 2.946 N/A THR 486.A OG1 TRP 482.A O no hydrogen 2.557 N/A LEU 487.A N MET 483.A O no hydrogen 2.996 N/A ASP 488.A N HIS 484.A O no hydrogen 2.986 N/A TYR 489.A N ASP 485.A O no hydrogen 3.099 N/A VAL 490.A N THR 486.A O no hydrogen 3.076 N/A SER 491.A N LEU 487.A O no hydrogen 3.209 N/A SER 491.A OG LEU 487.A O no hydrogen 2.608 N/A ARG 492.A N TYR 489.A O no hydrogen 3.240 N/A ARG 492.A NH1 ASP 488.A OD2 no hydrogen 2.394 N/A ARG 492.A NH1 GLU 503.A OE1 no hydrogen 3.259 N/A ARG 492.A NH2 ASP 488.A OD2 no hydrogen 2.977 N/A VAL 495.A N ASP 493.A OD2 no hydrogen 3.392 N/A TYR 496.A N ASP 493.A O no hydrogen 2.837 N/A ARG 497.A N PRO 494.A O no hydrogen 3.193 N/A ARG 497.A NE ARG 492.A O no hydrogen 3.008 N/A ARG 497.A NH1 PHE 653.A O no hydrogen 2.759 N/A ARG 497.A NH2 VAL 490.A O no hydrogen 2.982 N/A ARG 497.A NH2 ARG 492.A O no hydrogen 3.490 N/A SER 498.A OG SER 630.A O no hydrogen 2.656 N/A TYR 499.A N TYR 496.A O no hydrogen 2.990 N/A HIS 500.A N ARG 497.A O no hydrogen 2.801 N/A HIS 501.A N SER 498.A O no hydrogen 3.350 N/A HIS 501.A NE2 ALA 627.A O no hydrogen 3.060 N/A GLU 503.A N HIS 500.A O no hydrogen 2.861 N/A MET 504.A N HIS 500.A O no hydrogen 3.110 N/A THR 505.A N HIS 501.A O no hydrogen 3.176 N/A PHE 506.A N GLU 503.A O no hydrogen 3.445 N/A SER 507.A OG HIS 557.A NE2 no hydrogen 2.799 N/A MET 508.A N THR 505.A O no hydrogen 3.374 N/A LEU 509.A N PHE 506.A O no hydrogen 3.138 N/A TYR 510.A N SER 507.A O no hydrogen 3.183 N/A SER 513.A N TYR 510.A O no hydrogen 3.086 N/A SER 513.A OG TYR 510.A O no hydrogen 2.877 N/A ASN 515.A N THR 464.A OG1 no hydrogen 3.201 N/A ASN 515.A ND2 SER 475.A O no hydrogen 2.916 N/A TYR 516.A OH SER 513.A OG no hydrogen 3.286 N/A VAL 517.A N LYS 477.A O no hydrogen 2.989 N/A LEU 518.A N LYS 560.A O no hydrogen 2.607 N/A LEU 520.A N LEU 562.A O no hydrogen 3.102 N/A HIS 522.A N GLU 250.A OE1 no hydrogen 2.966 N/A HIS 522.A ND1 GLU 250.A OE2 no hydrogen 2.677 N/A GLU 524.A N SER 521.A O no hydrogen 3.233 N/A VAL 525.A N HIS 522.A O no hydrogen 3.160 N/A GLY 528.A N GLU 574.A OE1 no hydrogen 2.937 N/A LYS 529.A N VAL 526.A O no hydrogen 3.263 N/A LYS 529.A NZ ASP 523.A O no hydrogen 3.259 N/A LYS 529.A NZ GLU 524.A OE1 no hydrogen 3.377 N/A GLY 530.A N GLU 574.A OE2 no hydrogen 2.771 N/A THR 531.A OG1 GLN 571.A O no hydrogen 3.211 N/A THR 531.A OG1 ARG 572.A O no hydrogen 2.817 N/A LEU 532.A N GLN 567.A OE1 no hydrogen 2.971 N/A GLY 534.A N THR 531.A OG1 no hydrogen 3.012 N/A ARG 535.A N THR 531.A O no hydrogen 3.158 N/A ARG 535.A NH2 GLU 524.A O no hydrogen 2.505 N/A MET 536.A N TRP 533.A O no hydrogen 3.079 N/A VAL 542.A N ASN 539.A OD1 no hydrogen 2.851 N/A LYS 543.A N ASN 539.A O no hydrogen 2.851 N/A LYS 543.A NZ TRP 533.A O no hydrogen 3.050 N/A LYS 543.A NZ MET 536.A O no hydrogen 2.540 N/A ALA 544.A N ASN 540.A O no hydrogen 3.092 N/A ALA 545.A N HIS 541.A O no hydrogen 3.109 N/A GLY 546.A N VAL 542.A O no hydrogen 2.879 N/A LEU 547.A N LYS 543.A O no hydrogen 2.872 N/A ARG 548.A N ALA 544.A O no hydrogen 2.999 N/A ARG 548.A NE THR 677.A O no hydrogen 2.767 N/A ARG 548.A NH2 THR 677.A O no hydrogen 2.852 N/A SER 549.A N ALA 545.A O no hydrogen 3.005 N/A SER 549.A OG ALA 545.A O no hydrogen 3.068 N/A SER 549.A OG THR 714.A O no hydrogen 2.994 N/A LEU 550.A N GLY 546.A O no hydrogen 2.923 N/A LEU 551.A N LEU 547.A O no hydrogen 3.056 N/A ALA 552.A N ARG 548.A O no hydrogen 3.060 N/A TYR 553.A N SER 549.A O no hydrogen 2.812 N/A GLN 554.A N LEU 550.A O no hydrogen 2.809 N/A GLN 554.A NE2 LEU 518.A O no hydrogen 3.109 N/A GLN 554.A NE2 LEU 562.A O no hydrogen 3.142 N/A TRP 555.A N LEU 551.A O no hydrogen 3.029 N/A TRP 555.A NE1 ASN 603.A OD1 no hydrogen 3.067 N/A ALA 556.A N ALA 552.A O no hydrogen 2.992 N/A HIS 557.A N TYR 553.A O no hydrogen 2.948 N/A HIS 557.A ND1 PRO 558.A O no hydrogen 2.932 N/A HIS 557.A NE2 SER 507.A OG no hydrogen 2.799 N/A GLY 559.A N ASP 616.A OD1 no hydrogen 2.816 N/A LYS 560.A N TYR 516.A O no hydrogen 3.046 N/A LYS 560.A NZ VAL 242.A O no hydrogen 3.057 N/A LYS 560.A NZ GLU 244.A O no hydrogen 2.851 N/A LYS 560.A NZ ASP 616.A OD2 no hydrogen 2.778 N/A GLN 561.A N MET 246.A O no hydrogen 3.076 N/A GLN 561.A NE2 GLY 559.A O no hydrogen 2.977 N/A LEU 562.A N LEU 518.A O no hydrogen 3.111 N/A LEU 563.A N THR 248.A O no hydrogen 2.763 N/A PHE 564.A N LEU 520.A O no hydrogen 3.202 N/A MET 565.A N GLU 250.A O no hydrogen 2.882 N/A GLN 567.A N PHE 564.A O no hydrogen 2.974 N/A GLU 568.A N GLU 568.A OE1 no hydrogen 2.534 N/A PHE 569.A N GLY 566.A O no hydrogen 3.320 N/A GLY 570.A N GLN 567.A O no hydrogen 3.165 N/A GLN 571.A N GLY 566.A O no hydrogen 2.983 N/A GLN 571.A NE2 ALA 573.A O no hydrogen 2.990 N/A ARG 572.A NH1 GLU 588.A OE1 no hydrogen 2.834 N/A ARG 572.A NH2 GLU 588.A OE1 no hydrogen 3.477 N/A ARG 572.A NH2 GLU 588.A OE2 no hydrogen 3.034 N/A TRP 575.A N VAL 525.A O no hydrogen 3.164 N/A TRP 575.A NE1 SER 255.A OG no hydrogen 2.910 N/A ARG 579.A N SER 576.A O no hydrogen 3.290 N/A ARG 579.A N SER 576.A OG no hydrogen 3.349 N/A GLY 580.A N SER 576.A O no hydrogen 3.017 N/A LEU 581.A N SER 255.A O no hydrogen 3.274 N/A ASP 582.A N GLN 571.A OE1 no hydrogen 2.815 N/A TRP 583.A N LEU 581.A O no hydrogen 2.956 N/A TRP 583.A NE1 TRP 256.A O no hydrogen 2.888 N/A GLN 585.A N ASP 582.A O no hydrogen 3.263 N/A LEU 586.A N TRP 583.A O no hydrogen 2.854 N/A ASP 587.A N PHE 584.A O no hydrogen 2.747 N/A GLU 588.A N GLN 585.A O no hydrogen 3.305 N/A SER 592.A OG PHE 569.A O no hydrogen 3.218 N/A SER 592.A OG GLN 585.A OE1 no hydrogen 2.937 N/A ASN 593.A ND2 LEU 586.A O no hydrogen 3.401 N/A ASN 593.A ND2 GLU 588.A O no hydrogen 3.675 N/A ILE 595.A N PHE 591.A O no hydrogen 3.001 N/A ILE 595.A N SER 592.A O no hydrogen 3.223 N/A GLN 596.A N SER 592.A O no hydrogen 3.097 N/A GLN 596.A NE2 TYR 272.A OH no hydrogen 2.836 N/A ARG 597.A N ASN 593.A O no hydrogen 2.983 N/A ARG 597.A NH1 ILE 681.A O no hydrogen 2.733 N/A LEU 598.A N GLY 594.A O no hydrogen 3.077 N/A VAL 599.A N ILE 595.A O no hydrogen 3.053 N/A ARG 600.A N GLN 596.A O no hydrogen 3.169 N/A ARG 600.A NH1 GLN 596.A OE1 no hydrogen 3.258 N/A ASP 601.A N ARG 597.A O no hydrogen 3.031 N/A ILE 602.A N LEU 598.A O no hydrogen 2.798 N/A ASN 603.A N VAL 599.A O no hydrogen 2.901 N/A ASN 603.A ND2 GLN 276.A O no hydrogen 2.839 N/A ASP 604.A N ARG 600.A O no hydrogen 2.918 N/A ILE 605.A N ASP 601.A O no hydrogen 2.998 N/A TYR 606.A N ILE 602.A O no hydrogen 2.830 N/A ARG 607.A N ASN 603.A O no hydrogen 2.902 N/A ARG 607.A NE GLY 277.A O no hydrogen 3.164 N/A CYS 608.A SG ASP 604.A O no hydrogen 3.594 N/A HIS 609.A N TYR 606.A O no hydrogen 3.181 N/A HIS 609.A ND1 ILE 605.A O no hydrogen 2.785 N/A LEU 612.A N HIS 609.A O no hydrogen 2.936 N/A TRP 613.A N PRO 610.A O no hydrogen 3.238 N/A TRP 613.A NE1 TYR 606.A O no hydrogen 2.883 N/A SER 614.A N PRO 610.A O no hydrogen 2.910 N/A SER 614.A OG PRO 610.A O no hydrogen 2.612 N/A GLU 620.A N THR 618.A OG1 no hydrogen 3.177 N/A GLY 621.A N THR 618.A O no hydrogen 3.132 N/A TYR 622.A N PRO 619.A O no hydrogen 3.019 N/A SER 623.A N MET 638.A O no hydrogen 3.040 N/A ILE 625.A N SER 636.A O no hydrogen 2.903 N/A ASP 626.A N SER 636.A O no hydrogen 3.185 N/A ASN 628.A N ASP 626.A OD1 no hydrogen 3.049 N/A ASN 632.A N ASP 629.A O no hydrogen 3.289 N/A ASN 632.A N ASP 629.A OD1 no hydrogen 3.124 N/A ASN 633.A N SER 630.A O no hydrogen 3.291 N/A ASN 633.A ND2 SER 498.A OG no hydrogen 3.031 N/A VAL 634.A N ASP 629.A O no hydrogen 3.166 N/A LEU 635.A N PHE 651.A O no hydrogen 2.944 N/A PHE 637.A N CYS 649.A O no hydrogen 2.963 N/A MET 638.A N SER 623.A O no hydrogen 2.581 N/A ARG 639.A N LEU 647.A O no hydrogen 2.924 N/A ARG 639.A NE GLY 621.A O no hydrogen 2.831 N/A ARG 639.A NH1 ALA 556.A O no hydrogen 2.704 N/A ARG 639.A NH2 ASP 616.A OD1 no hydrogen 3.023 N/A TYR 640.A N GLY 621.A O no hydrogen 2.964 N/A GLY 641.A N SER 645.A O no hydrogen 3.111 N/A SER 642.A N SER 614.A OG no hydrogen 2.861 N/A GLY 644.A N GLY 641.A O no hydrogen 3.130 N/A SER 645.A N ASP 643.A OD1 no hydrogen 3.212 N/A SER 645.A OG ASP 643.A OD1 no hydrogen 2.742 N/A SER 645.A OG ASP 643.A OD2 no hydrogen 3.484 N/A LEU 647.A N ARG 639.A O no hydrogen 3.071 N/A ALA 648.A N LEU 719.A O no hydrogen 2.778 N/A CYS 649.A N PHE 637.A O no hydrogen 2.864 N/A VAL 650.A N LEU 717.A O no hydrogen 2.809 N/A PHE 651.A N LEU 635.A O no hydrogen 2.714 N/A ASN 652.A N SER 715.A O no hydrogen 2.826 N/A ASN 652.A ND2 ALA 656.A O no hydrogen 3.156 N/A ASN 652.A ND2 LEU 711.A O no hydrogen 3.334 N/A ASN 652.A ND2 PRO 712.A O no hydrogen 2.798 N/A PHE 653.A N ASN 633.A O no hydrogen 2.849 N/A ALA 654.A N ASN 652.A OD1 no hydrogen 3.001 N/A HIS 658.A N LEU 711.A O no hydrogen 3.014 N/A ARG 659.A NE GLU 657.A OE2 no hydrogen 2.856 N/A TYR 661.A N LEU 709.A O no hydrogen 2.920 N/A TYR 661.A OH ASP 629.A OD2 no hydrogen 2.652 N/A ARG 662.A NH1 SER 706.A OG no hydrogen 3.048 N/A LEU 663.A N ALA 707.A O no hydrogen 2.876 N/A LEU 665.A N ALA 705.A O no hydrogen 2.738 N/A GLY 669.A N ALA 695.A O no hydrogen 2.763 N/A ARG 670.A NH1 ASP 694.A OD2 no hydrogen 3.519 N/A TRP 671.A N VAL 693.A O no hydrogen 2.874 N/A TRP 671.A NE1 ARG 667.A O no hydrogen 3.282 N/A ARG 672.A N THR 720.A O no hydrogen 2.668 N/A GLU 673.A N GLY 691.A O no hydrogen 2.794 N/A VAL 674.A N TRP 718.A O no hydrogen 3.047 N/A LEU 675.A N TRP 718.A O no hydrogen 3.398 N/A ASN 676.A ND2 ILE 687.A O no hydrogen 3.044 N/A THR 677.A N ALA 716.A O no hydrogen 3.160 N/A ASP 678.A N ASN 676.A OD1 no hydrogen 2.897 N/A ALA 679.A N ASN 676.A O no hydrogen 3.012 N/A TYR 682.A N ALA 679.A O no hydrogen 2.978 N/A TYR 682.A OH ASP 601.A OD2 no hydrogen 2.446 N/A HIS 683.A N THR 680.A O no hydrogen 2.765 N/A GLY 684.A N ALA 679.A O no hydrogen 3.122 N/A SER 685.A N ASP 678.A OD1 no hydrogen 2.891 N/A SER 685.A OG ASP 678.A OD1 no hydrogen 3.420 N/A SER 685.A OG ASP 678.A OD2 no hydrogen 2.834 N/A GLY 686.A N ASP 678.A O no hydrogen 2.786 N/A ILE 687.A N ASP 678.A OD2 no hydrogen 2.826 N/A ASN 689.A N GLU 673.A OE2 no hydrogen 3.215 N/A ASN 689.A ND2 GLU 673.A OE2 no hydrogen 2.914 N/A ASN 689.A ND2 VAL 710.A O no hydrogen 3.172 N/A GLY 691.A N GLU 673.A OE1 no hydrogen 3.402 N/A VAL 693.A N TRP 671.A O no hydrogen 3.005 N/A ALA 695.A N GLY 669.A O no hydrogen 2.547 N/A THR 696.A N SER 706.A O no hydrogen 2.762 N/A THR 696.A OG1 ASP 698.A OD2 no hydrogen 2.773 N/A TRP 700.A N ARG 703.A O no hydrogen 2.964 N/A ARG 703.A N TRP 700.A O no hydrogen 2.634 N/A ARG 703.A NH2 SER 623.A OG no hydrogen 2.825 N/A ARG 703.A NH2 TRP 624.A O no hydrogen 2.665 N/A ALA 705.A N LEU 665.A O no hydrogen 3.364 N/A SER 706.A N THR 696.A O no hydrogen 3.188 N/A SER 706.A OG ASP 698.A O no hydrogen 2.618 N/A ALA 707.A N LEU 663.A O no hydrogen 3.039 N/A LEU 709.A N TYR 661.A O no hydrogen 2.992 N/A VAL 710.A N ASN 689.A OD1 no hydrogen 2.941 N/A LEU 711.A N HIS 658.A O no hydrogen 2.921 N/A THR 714.A N ALA 654.A O no hydrogen 2.839 N/A THR 714.A OG1 ALA 654.A O no hydrogen 3.297 N/A SER 715.A N ASN 652.A O no hydrogen 2.983 N/A SER 715.A OG PRO 712.A O no hydrogen 2.825 N/A ALA 716.A N THR 677.A OG1 no hydrogen 2.867 N/A LEU 717.A N VAL 650.A O no hydrogen 2.845 N/A TRP 718.A N LEU 675.A O no hydrogen 3.058 N/A LEU 719.A N ALA 648.A O no hydrogen 2.744 N/A THR 720.A N ARG 672.A O no hydrogen 2.995 N/A ALA 722.A N ARG 670.A O no hydrogen 2.839 N/A