Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6sgb_F2.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N GLU 823.A OE1 no hydrogen 2.688 N/A GLN 8.A N SER 4.A O no hydrogen 2.549 N/A GLN 8.A NE2 LEU 3.A O no hydrogen 2.967 N/A GLN 8.A NE2 GLU 369.A OE2 no hydrogen 2.442 N/A ALA 9.A N PRO 5.A O no hydrogen 2.895 N/A LEU 10.A N TYR 6.A O no hydrogen 2.985 N/A ARG 11.A N ALA 7.A O no hydrogen 2.897 N/A HIS 12.A N GLN 8.A O no hydrogen 2.867 N/A VAL 13.A N ALA 9.A O no hydrogen 2.996 N/A ALA 14.A N LEU 10.A O no hydrogen 2.918 N/A LEU 15.A N ARG 11.A O no hydrogen 2.898 N/A LEU 15.A N HIS 12.A O no hydrogen 3.249 N/A ARG 16.A N HIS 12.A O no hydrogen 2.960 N/A GLY 17.A N VAL 13.A O no hydrogen 2.771 N/A GLY 22.A N THR 19.A O no hydrogen 3.418 N/A MET 28.A N GLY 24.A O no hydrogen 3.103 N/A GLU 29.A N ALA 25.A O no hydrogen 2.941 N/A LEU 30.A N LYS 26.A O no hydrogen 2.852 N/A ASP 31.A N GLU 27.A O no hydrogen 2.919 N/A MET 32.A N MET 28.A O no hydrogen 2.913 N/A LEU 33.A N GLU 29.A O no hydrogen 2.897 N/A ARG 34.A N LEU 30.A O no hydrogen 2.894 N/A ARG 34.A NH2 ASP 31.A OD1 no hydrogen 3.477 N/A LYS 35.A N ASP 31.A O no hydrogen 2.915 N/A GLY 36.A N MET 32.A O no hydrogen 3.127 N/A ARG 43.A NH1 ASP 51.A OD2 no hydrogen 2.535 N/A ARG 43.A NH2 ASP 51.A OD1 no hydrogen 2.932 N/A ASP 51.A N GLN 47.A O no hydrogen 3.430 N/A ASP 52.A N GLY 48.A O no hydrogen 2.916 N/A THR 53.A N ARG 49.A O no hydrogen 2.921 N/A THR 53.A OG1 ARG 49.A O no hydrogen 2.774 N/A ILE 54.A N TRP 50.A O no hydrogen 2.894 N/A GLU 55.A N ASP 51.A O no hydrogen 2.942 N/A ARG 56.A N ASP 52.A O no hydrogen 2.885 N/A ARG 56.A NE ASP 52.A OD1 no hydrogen 3.302 N/A ARG 56.A NE ASP 52.A OD2 no hydrogen 2.944 N/A TRP 57.A N THR 53.A O no hydrogen 2.938 N/A ALA 58.A N ILE 54.A O no hydrogen 2.977 N/A TYR 59.A N GLU 55.A O no hydrogen 2.890 N/A ALA 60.A N ARG 56.A O no hydrogen 2.805 N/A TRP 61.A N TRP 57.A O no hydrogen 3.083 N/A GLN 62.A N TYR 59.A O no hydrogen 3.223 N/A PHE 63.A N ALA 60.A O no hydrogen 3.432 N/A THR 73.A OG1 ASP 71.A OD2 no hydrogen 3.001 N/A SER 75.A N ASP 71.A O no hydrogen 3.278 N/A SER 75.A OG ILE 72.A O no hydrogen 2.680 N/A VAL 76.A N ILE 72.A O no hydrogen 2.914 N/A GLU 77.A N THR 73.A O no hydrogen 2.919 N/A ARG 78.A N LYS 74.A O no hydrogen 3.098 N/A ASN 79.A N VAL 76.A O no hydrogen 2.997 N/A MET 83.A N ASN 79.A O no hydrogen 3.149 N/A GLN 84.A N ALA 80.A O no hydrogen 2.917 N/A ALA 85.A N SER 81.A O no hydrogen 2.912 N/A LEU 86.A N GLY 82.A O no hydrogen 2.922 N/A LEU 87.A N MET 83.A O no hydrogen 2.890 N/A GLU 88.A N GLN 84.A O no hydrogen 2.943 N/A ILE 89.A N ALA 85.A O no hydrogen 2.968 N/A GLY 90.A N LEU 86.A O no hydrogen 2.894 N/A ASN 91.A N LEU 87.A O no hydrogen 2.896 N/A LYS 92.A N GLU 88.A O no hydrogen 2.929 N/A LEU 93.A N ILE 89.A O no hydrogen 2.910 N/A LEU 94.A N GLY 90.A O no hydrogen 2.869 N/A ARG 95.A N ASN 91.A O no hydrogen 2.918 N/A ARG 95.A NE ASN 91.A O no hydrogen 3.187 N/A SER 99.A OG GLU 136.A OE1 no hydrogen 3.354 N/A GLU 101.A N SER 135.A OG no hydrogen 3.346 N/A SER 104.A OG SER 104.A O no hydrogen 2.496 N/A LEU 110.A N SER 108.A OG no hydrogen 3.170 N/A TYR 111.A OH LYS 92.A O no hydrogen 2.762 N/A TYR 111.A OH SER 96.A O no hydrogen 2.386 N/A GLU 119.A N GLU 119.A OE1 no hydrogen 2.890 N/A LEU 120.A N ARG 116.A O no hydrogen 3.039 N/A SER 121.A N ALA 117.A O no hydrogen 2.898 N/A SER 121.A OG VAL 126.A O no hydrogen 2.395 N/A ALA 122.A N GLU 118.A O no hydrogen 2.892 N/A ALA 129.A N MET 186.A O no hydrogen 2.675 N/A TYR 130.A N PRO 127.A O no hydrogen 3.309 N/A TYR 130.A OH PHE 155.A O no hydrogen 2.935 N/A ILE 131.A N MET 128.A O no hydrogen 3.410 N/A SER 134.A N ASP 132.A OD1 no hydrogen 3.426 N/A SER 134.A OG ASP 133.A O no hydrogen 2.630 N/A SER 135.A OG GLU 101.A O no hydrogen 3.174 N/A SER 138.A OG ILE 131.A O no hydrogen 3.500 N/A SER 138.A OG ASP 133.A OD1 no hydrogen 2.646 N/A ASN 139.A N SER 135.A O no hydrogen 2.993 N/A ASN 139.A ND2 TYR 111.A O no hydrogen 3.025 N/A ALA 140.A N GLU 136.A O no hydrogen 2.905 N/A SER 141.A N ALA 137.A O no hydrogen 2.883 N/A SER 141.A OG ALA 137.A O no hydrogen 2.650 N/A LYS 142.A N SER 138.A O no hydrogen 2.907 N/A SER 143.A N ASN 139.A O no hydrogen 2.917 N/A SER 143.A OG ASN 139.A O no hydrogen 2.925 N/A LEU 144.A N ALA 140.A O no hydrogen 2.908 N/A ALA 145.A N SER 141.A O no hydrogen 2.902 N/A LEU 146.A N LYS 142.A O no hydrogen 2.875 N/A VAL 147.A N SER 143.A O no hydrogen 2.956 N/A MET 148.A N LEU 144.A O no hydrogen 2.895 N/A GLU 149.A N ALA 145.A O no hydrogen 3.140 N/A ASP 150.A N VAL 147.A O no hydrogen 3.107 N/A LEU 153.A N MET 148.A O no hydrogen 2.993 N/A LEU 160.A N THR 156.A O no hydrogen 3.273 N/A THR 161.A OG1 ASP 158.A O no hydrogen 2.939 N/A VAL 162.A N GLY 159.A O no hydrogen 3.215 N/A ILE 164.A N LEU 160.A O no hydrogen 2.986 N/A SER 165.A N THR 161.A O no hydrogen 2.911 N/A SER 165.A OG THR 161.A O no hydrogen 2.377 N/A ALA 166.A N VAL 162.A O no hydrogen 2.900 N/A LEU 167.A N VAL 163.A O no hydrogen 2.917 N/A SER 168.A N ILE 164.A O no hydrogen 2.874 N/A SER 168.A OG ILE 164.A O no hydrogen 2.782 N/A SER 168.A OG ALA 197.A O no hydrogen 3.199 N/A ARG 169.A N SER 165.A O no hydrogen 2.942 N/A GLN 170.A N LEU 167.A O no hydrogen 3.114 N/A GLY 176.A N TYR 172.A O no hydrogen 3.221 N/A ARG 177.A N GLY 173.A O no hydrogen 2.938 N/A ARG 177.A NE ASP 181.A OD1 no hydrogen 2.642 N/A ARG 177.A NH1 GLU 217.A OE1 no hydrogen 3.278 N/A ARG 177.A NH2 GLU 217.A OE1 no hydrogen 3.364 N/A ALA 178.A N THR 174.A O no hydrogen 2.863 N/A ILE 179.A N ILE 175.A O no hydrogen 2.962 N/A PHE 180.A N GLY 176.A O no hydrogen 2.892 N/A ASP 181.A N ARG 177.A O no hydrogen 2.897 N/A PHE 182.A N ALA 178.A O no hydrogen 2.899 N/A ALA 183.A N ILE 179.A O no hydrogen 2.907 N/A SER 184.A N PHE 180.A O no hydrogen 2.892 N/A SER 184.A OG PHE 180.A O no hydrogen 2.900 N/A ALA 185.A N ASP 181.A O no hydrogen 2.907 N/A MET 186.A N PHE 182.A O no hydrogen 3.195 N/A MET 186.A N ALA 183.A O no hydrogen 3.284 N/A TYR 195.A N SER 191.A O no hydrogen 3.260 N/A ARG 196.A N ALA 192.A O no hydrogen 2.907 N/A ARG 196.A NE GLY 228.A O no hydrogen 3.123 N/A ARG 196.A NH2 GLU 232.A OE2 no hydrogen 3.547 N/A ALA 197.A N GLU 193.A O no hydrogen 2.900 N/A LEU 198.A N MET 194.A O no hydrogen 2.925 N/A MET 199.A N TYR 195.A O no hydrogen 2.886 N/A LYS 200.A N ARG 196.A O no hydrogen 2.984 N/A TYR 201.A N LEU 198.A O no hydrogen 3.334 N/A SER 203.A N MET 199.A O no hydrogen 2.909 N/A SER 203.A OG MET 199.A O no hydrogen 2.524 N/A SER 203.A OG GLU 232.A O no hydrogen 3.023 N/A SER 203.A OG GLU 232.A OE1 no hydrogen 3.041 N/A SER 203.A OG THR 236.A OG1 no hydrogen 2.700 N/A ARG 204.A N LYS 200.A O no hydrogen 2.921 N/A ARG 204.A NE SER 168.A O no hydrogen 3.336 N/A ARG 205.A N TYR 201.A O no hydrogen 2.916 N/A GLY 206.A N ALA 202.A O no hydrogen 2.783 N/A ASP 207.A N ALA 202.A O no hydrogen 2.974 N/A GLU 210.A N ASP 207.A OD2 no hydrogen 3.194 N/A MET 212.A N VAL 208.A O no hydrogen 2.941 N/A ALA 213.A N ASN 209.A O no hydrogen 2.885 N/A LEU 214.A N GLU 210.A O no hydrogen 2.921 N/A ILE 215.A N SER 211.A O no hydrogen 2.942 N/A GLU 216.A N MET 212.A O no hydrogen 2.941 N/A GLU 217.A N ALA 213.A O no hydrogen 2.857 N/A MET 218.A N LEU 214.A O no hydrogen 2.928 N/A LYS 219.A N ILE 215.A O no hydrogen 2.942 N/A LYS 219.A NZ GLU 216.A OE2 no hydrogen 3.484 N/A GLY 220.A N GLU 216.A O no hydrogen 2.910 N/A ASN 221.A N GLU 217.A O no hydrogen 3.093 N/A GLY 222.A N LYS 219.A O no hydrogen 3.391 N/A ILE 223.A N MET 218.A O no hydrogen 3.041 N/A ARG 226.A N ASN 229.A OD1 no hydrogen 2.968 N/A ASN 229.A ND2 ALA 192.A O no hydrogen 2.974 N/A HIS 231.A N ILE 227.A O no hydrogen 2.919 N/A HIS 231.A NE2 THR 265.A OG1 no hydrogen 2.412 N/A GLU 232.A N GLY 228.A O no hydrogen 2.939 N/A LEU 233.A N ASN 229.A O no hydrogen 2.934 N/A MET 234.A N TRP 230.A O no hydrogen 2.897 N/A TYR 235.A N HIS 231.A O no hydrogen 2.927 N/A THR 236.A N GLU 232.A O no hydrogen 2.860 N/A THR 236.A OG1 SER 203.A OG no hydrogen 2.700 N/A THR 236.A OG1 GLU 232.A O no hydrogen 2.438 N/A PHE 237.A N LEU 233.A O no hydrogen 2.973 N/A TYR 238.A N MET 234.A O no hydrogen 2.885 N/A LYS 239.A N TYR 235.A O no hydrogen 2.892 N/A LYS 239.A NZ TYR 235.A OH no hydrogen 3.420 N/A ALA 240.A N THR 236.A O no hydrogen 3.168 N/A LYS 241.A N TYR 238.A O no hydrogen 3.262 N/A ASP 242.A N PHE 237.A O no hydrogen 2.857 N/A VAL 246.A N TYR 243.A O no hydrogen 3.319 N/A GLN 248.A N PRO 244.A O no hydrogen 2.972 N/A ILE 249.A N ALA 245.A O no hydrogen 2.896 N/A VAL 250.A N VAL 246.A O no hydrogen 2.959 N/A ASP 251.A N SER 247.A O no hydrogen 2.936 N/A ASN 252.A N GLN 248.A O no hydrogen 2.949 N/A ASN 252.A ND2 GLN 248.A O no hydrogen 2.454 N/A MET 253.A N ILE 249.A O no hydrogen 2.840 N/A LYS 254.A N VAL 250.A O no hydrogen 2.963 N/A MET 255.A N ASP 251.A O no hydrogen 2.921 N/A TYR 256.A N ASN 252.A O no hydrogen 2.820 N/A ALA 257.A N ASN 252.A O no hydrogen 3.325 N/A ILE 259.A N MET 253.A O no hydrogen 3.192 N/A ASN 262.A N THR 265.A OG1 no hydrogen 3.301 N/A GLU 263.A N GLU 263.A OE1 no hydrogen 2.647 N/A THR 265.A OG1 HIS 231.A NE2 no hydrogen 2.412 N/A VAL 267.A N GLU 263.A O no hydrogen 2.954 N/A LEU 268.A N VAL 264.A O no hydrogen 2.918 N/A GLN 269.A N THR 265.A O no hydrogen 2.907 N/A LEU 270.A N PHE 266.A O no hydrogen 2.910 N/A LYS 271.A N VAL 267.A O no hydrogen 2.916 N/A ALA 272.A N LEU 268.A O no hydrogen 2.914 N/A LEU 273.A N GLN 269.A O no hydrogen 2.906 N/A ALA 274.A N LEU 270.A O no hydrogen 2.927 N/A SER 278.A N ASP 276.A OD1 no hydrogen 3.064 N/A SER 282.A OG ASP 276.A O no hydrogen 3.128 N/A GLU 285.A N ASN 281.A O no hydrogen 3.152 N/A ALA 286.A N SER 282.A O no hydrogen 2.928 N/A ILE 287.A N LEU 283.A O no hydrogen 2.954 N/A GLN 288.A N PRO 284.A O no hydrogen 2.930 N/A GLN 288.A NE2 GLN 292.A OE1 no hydrogen 3.583 N/A LEU 289.A N GLU 285.A O no hydrogen 2.862 N/A PHE 290.A N ALA 286.A O no hydrogen 2.940 N/A ASP 291.A N ILE 287.A O no hydrogen 2.971 N/A GLN 292.A N GLN 288.A O no hydrogen 2.856 N/A MET 293.A N LEU 289.A O no hydrogen 2.901 N/A GLU 294.A N PHE 290.A O no hydrogen 2.973 N/A ASN 295.A N ASP 291.A O no hydrogen 2.911 N/A ASN 295.A ND2 ASP 291.A OD1 no hydrogen 2.838 N/A VAL 296.A N GLN 292.A O no hydrogen 3.230 N/A TYR 297.A N GLN 292.A O no hydrogen 2.958 N/A PHE 299.A N MET 293.A O no hydrogen 3.140 N/A TYR 306.A N SER 302.A O no hydrogen 3.153 N/A ASP 307.A N ARG 303.A O no hydrogen 2.861 N/A ALA 308.A N PRO 304.A O no hydrogen 2.909 N/A MET 309.A N HIS 305.A O no hydrogen 2.940 N/A MET 310.A N TYR 306.A O no hydrogen 2.871 N/A PHE 311.A N ASP 307.A O no hydrogen 2.906 N/A LEU 313.A N MET 309.A O no hydrogen 2.914 N/A SER 314.A N MET 310.A O no hydrogen 3.112 N/A SER 314.A OG MET 310.A O no hydrogen 3.161 N/A SER 314.A OG PHE 311.A O no hydrogen 2.841 N/A GLN 315.A N HIS 312.A O no hydrogen 3.503 N/A GLN 315.A NE2 ALA 274.A O no hydrogen 3.156 N/A ARG 318.A NH1 GLU 320.A OE1 no hydrogen 3.364 N/A GLU 320.A N GLU 320.A OE2 no hydrogen 2.871 N/A ARG 322.A N ARG 318.A O no hydrogen 3.151 N/A ARG 322.A NH2 ASP 356.A OD2 no hydrogen 3.016 N/A LEU 323.A N PRO 319.A O no hydrogen 2.903 N/A ARG 324.A N GLU 320.A O no hydrogen 2.879 N/A CYS 325.A N MET 321.A O no hydrogen 2.914 N/A GLU 326.A N ARG 322.A O no hydrogen 2.928 N/A GLU 327.A N LEU 323.A O no hydrogen 2.905 N/A LEU 328.A N ARG 324.A O no hydrogen 2.885 N/A ALA 329.A N CYS 325.A O no hydrogen 2.943 N/A HIS 330.A N GLU 326.A O no hydrogen 2.922 N/A LYS 331.A N GLU 327.A O no hydrogen 2.888 N/A LYS 331.A NZ GLU 294.A OE2 no hydrogen 3.387 N/A LYS 331.A NZ TYR 306.A OH no hydrogen 3.534 N/A MET 332.A N LEU 328.A O no hydrogen 2.894 N/A GLU 333.A N ALA 329.A O no hydrogen 2.948 N/A LEU 334.A N HIS 330.A O no hydrogen 2.914 N/A MET 335.A N LYS 331.A O no hydrogen 3.017 N/A ILE 337.A N MET 332.A O no hydrogen 3.119 N/A TRP 339.A NE1 ALA 329.A O no hydrogen 3.096 N/A THR 343.A N ASN 340.A OD1 no hydrogen 3.265 N/A THR 343.A OG1 ASN 340.A OD1 no hydrogen 2.642 N/A TYR 344.A N ASN 340.A O no hydrogen 3.203 N/A LEU 345.A N ALA 341.A O no hydrogen 2.908 N/A ASN 346.A N ASN 342.A O no hydrogen 2.890 N/A LEU 347.A N THR 343.A O no hydrogen 2.958 N/A ILE 348.A N TYR 344.A O no hydrogen 2.899 N/A ARG 349.A N LEU 345.A O no hydrogen 2.891 N/A SER 350.A N ASN 346.A O no hydrogen 2.903 N/A SER 350.A OG ASN 346.A O no hydrogen 3.406 N/A SER 350.A OG LEU 347.A O no hydrogen 2.649 N/A ALA 351.A N LEU 347.A O no hydrogen 2.932 N/A GLN 352.A N ILE 348.A O no hydrogen 2.878 N/A GLY 355.A N GLN 352.A O no hydrogen 3.064 N/A ASP 356.A N ALA 351.A O no hydrogen 3.158 N/A VAL 360.A N ASP 356.A O no hydrogen 3.467 N/A GLU 361.A N VAL 357.A O no hydrogen 2.877 N/A LYS 362.A N ALA 358.A O no hydrogen 2.919 N/A TYR 363.A N ALA 359.A O no hydrogen 2.904 N/A TYR 363.A OH GLU 326.A OE2 no hydrogen 2.861 N/A LEU 364.A N VAL 360.A O no hydrogen 2.882 N/A SER 365.A N GLU 361.A O no hydrogen 2.908 N/A SER 365.A OG GLU 361.A O no hydrogen 3.289 N/A SER 365.A OG LYS 362.A O no hydrogen 2.790 N/A ARG 366.A N LYS 362.A O no hydrogen 2.903 N/A MET 367.A N TYR 363.A O no hydrogen 2.886 N/A ARG 368.A N LEU 364.A O no hydrogen 3.451 N/A ARG 368.A NH1 SER 829.A O no hydrogen 2.457 N/A ARG 368.A NH1 LYS 832.A O no hydrogen 2.584 N/A GLU 369.A N SER 365.A O no hydrogen 2.926 N/A GLU 370.A N ARG 366.A O no hydrogen 3.292 N/A THR 380.A N ILE 376.A O no hydrogen 2.919 N/A THR 380.A OG1 ILE 376.A O no hydrogen 2.872 N/A TRP 381.A N GLY 377.A O no hydrogen 2.917 N/A ALA 382.A N HIS 378.A O no hydrogen 2.903 N/A VAL 383.A N LEU 379.A O no hydrogen 2.936 N/A GLN 384.A N THR 380.A O no hydrogen 2.960 N/A GLN 384.A NE2 TYR 485.A OH no hydrogen 3.150 N/A ALA 385.A N TRP 381.A O no hydrogen 2.846 N/A HIS 386.A N ALA 382.A O no hydrogen 2.987 N/A HIS 386.A NE2 TYR 831.A OH no hydrogen 2.804 N/A VAL 387.A N VAL 383.A O no hydrogen 2.928 N/A GLN 388.A N GLN 384.A O no hydrogen 2.934 N/A SER 389.A N ALA 385.A O no hydrogen 2.881 N/A SER 389.A OG ALA 385.A O no hydrogen 3.374 N/A SER 389.A OG HIS 386.A O no hydrogen 2.759 N/A SER 389.A OG HIS 412.A NE2 no hydrogen 3.302 N/A MET 390.A N HIS 386.A O no hydrogen 2.945 N/A ILE 391.A N VAL 387.A O no hydrogen 2.946 N/A ARG 392.A N GLN 388.A O no hydrogen 3.186 N/A TYR 395.A OH MET 390.A O no hydrogen 2.741 N/A ALA 397.A N ASP 394.A OD1 no hydrogen 3.086 N/A LEU 398.A N ASP 394.A O no hydrogen 3.403 N/A LYS 399.A N TYR 395.A O no hydrogen 2.903 N/A GLU 400.A N ASP 396.A O no hydrogen 2.925 N/A LYS 401.A N ALA 397.A O no hydrogen 3.141 N/A GLU 403.A N LEU 398.A O no hydrogen 2.805 N/A THR 408.A OG1 PRO 405.A O no hydrogen 2.416 N/A TRP 409.A N PRO 405.A O no hydrogen 3.105 N/A TRP 409.A NE1 TYR 395.A OH no hydrogen 3.179 N/A LEU 410.A N LEU 406.A O no hydrogen 2.928 N/A GLU 411.A N PRO 407.A O no hydrogen 2.892 N/A HIS 412.A N THR 408.A O no hydrogen 2.936 N/A LEU 413.A N TRP 409.A O no hydrogen 2.918 N/A GLU 414.A N LEU 410.A O no hydrogen 2.900 N/A THR 415.A N GLU 411.A O no hydrogen 2.944 N/A THR 415.A OG1 GLU 411.A O no hydrogen 2.731 N/A CYS 416.A SG HIS 412.A O no hydrogen 3.310 N/A PHE 417.A N LEU 413.A O no hydrogen 2.940 N/A GLY 418.A N GLU 414.A O no hydrogen 2.887 N/A ILE 419.A N THR 415.A O no hydrogen 2.933 N/A TYR 420.A N CYS 416.A O no hydrogen 2.896 N/A GLU 421.A N PHE 417.A O no hydrogen 2.889 N/A LEU 422.A N GLY 418.A O no hydrogen 2.882 N/A VAL 423.A N ILE 419.A O no hydrogen 2.922 N/A ARG 425.A N LEU 422.A O no hydrogen 3.193 N/A ARG 426.A N LEU 422.A O no hydrogen 3.314 N/A ARG 426.A NE GLU 836.A OE2 no hydrogen 3.030 N/A ARG 426.A NH2 TYR 831.A O no hydrogen 2.404 N/A ARG 426.A NH2 GLU 836.A OE1 no hydrogen 3.248 N/A ASN 436.A N LEU 432.A O no hydrogen 2.930 N/A ASN 436.A ND2 ASP 483.A OD1 no hydrogen 2.888 N/A ALA 437.A N PRO 433.A O no hydrogen 2.838 N/A LEU 438.A N PHE 434.A O no hydrogen 2.972 N/A LEU 439.A N VAL 435.A O no hydrogen 2.909 N/A ARG 440.A N ASN 436.A O no hydrogen 2.869 N/A ARG 440.A NE GLN 444.A OE1 no hydrogen 3.370 N/A ARG 440.A NH1 TYR 485.A OH no hydrogen 3.148 N/A ARG 440.A NH2 GLN 444.A OE1 no hydrogen 3.566 N/A LEU 441.A N ALA 437.A O no hydrogen 2.880 N/A THR 442.A N LEU 438.A O no hydrogen 2.971 N/A THR 442.A OG1 LEU 438.A O no hydrogen 2.808 N/A CYS 443.A N LEU 439.A O no hydrogen 2.920 N/A CYS 443.A SG LEU 439.A O no hydrogen 3.244 N/A CYS 443.A SG CYS 489.A O no hydrogen 3.904 N/A GLN 444.A N ARG 440.A O no hydrogen 2.870 N/A GLN 444.A NE2 GLN 444.A O no hydrogen 3.679 N/A ALA 445.A N LEU 441.A O no hydrogen 2.911 N/A THR 446.A N THR 442.A O no hydrogen 2.941 N/A THR 446.A OG1 THR 442.A O no hydrogen 2.635 N/A ILE 447.A N CYS 443.A O no hydrogen 2.929 N/A LEU 448.A N GLN 444.A O no hydrogen 2.891 N/A SER 449.A N ALA 445.A O no hydrogen 2.897 N/A SER 449.A OG ALA 445.A O no hydrogen 3.162 N/A SER 449.A OG THR 446.A O no hydrogen 2.658 N/A MET 450.A N THR 446.A O no hydrogen 2.934 N/A GLU 451.A N ILE 447.A O no hydrogen 2.914 N/A ARG 452.A N LEU 448.A O no hydrogen 2.906 N/A THR 453.A N SER 449.A O no hydrogen 3.157 N/A THR 453.A OG1 SER 449.A O no hydrogen 3.212 N/A THR 459.A OG1 GLU 456.A O no hydrogen 2.953 N/A GLY 461.A N ALA 457.A O no hydrogen 2.904 N/A ARG 462.A N GLU 458.A O no hydrogen 2.926 N/A PHE 463.A N THR 459.A O no hydrogen 2.928 N/A GLU 464.A N ILE 460.A O no hydrogen 2.905 N/A GLU 465.A N GLY 461.A O no hydrogen 2.890 N/A GLN 466.A N ARG 462.A O no hydrogen 2.956 N/A ALA 467.A N PHE 463.A O no hydrogen 2.931 N/A ASN 468.A N GLU 464.A O no hydrogen 2.893 N/A LYS 469.A N GLU 465.A O no hydrogen 2.898 N/A ILE 470.A N GLN 466.A O no hydrogen 2.953 N/A TRP 471.A N ALA 467.A O no hydrogen 2.897 N/A ASN 472.A N ASN 468.A O no hydrogen 2.889 N/A HIS 473.A N LYS 469.A O no hydrogen 3.077 N/A THR 474.A OG1 LYS 469.A O no hydrogen 3.283 N/A TRP 478.A NE1 TYR 420.A OH no hydrogen 3.130 N/A LEU 480.A N PHE 475.A O no hydrogen 2.691 N/A LYS 482.A NZ TRP 471.A O no hydrogen 3.237 N/A SER 486.A N ASP 483.A OD1 no hydrogen 3.325 N/A TYR 487.A N ASP 483.A O no hydrogen 3.055 N/A GLU 488.A N VAL 484.A O no hydrogen 2.878 N/A CYS 489.A N TYR 485.A O no hydrogen 2.988 N/A CYS 489.A SG TYR 485.A O no hydrogen 3.296 N/A TYR 490.A OH ASN 468.A OD1 no hydrogen 2.658 N/A ILE 491.A N TYR 487.A O no hydrogen 2.862 N/A ALA 492.A N GLU 488.A O no hydrogen 2.945 N/A LEU 493.A N CYS 489.A O no hydrogen 2.964 N/A LEU 494.A N TYR 490.A O no hydrogen 2.910 N/A ALA 495.A N ILE 491.A O no hydrogen 2.833 N/A HIS 496.A N ALA 492.A O no hydrogen 2.971 N/A GLN 497.A N LEU 493.A O no hydrogen 3.234 N/A GLN 498.A N ALA 495.A O no hydrogen 3.383 N/A ARG 499.A N LEU 494.A O no hydrogen 3.127 N/A ALA 503.A N ARG 499.A O no hydrogen 3.295 N/A GLU 504.A N ILE 500.A O no hydrogen 2.918 N/A LYS 505.A N ASP 501.A O no hydrogen 2.875 N/A LEU 506.A N GLU 502.A O no hydrogen 2.951 N/A PHE 507.A N ALA 503.A O no hydrogen 2.897 N/A GLN 508.A N GLU 504.A O no hydrogen 2.959 N/A GLN 508.A NE2 GLU 504.A O no hydrogen 3.474 N/A GLU 509.A N LYS 505.A O no hydrogen 2.902 N/A MET 510.A N LEU 506.A O no hydrogen 2.887 N/A ILE 511.A N PHE 507.A O no hydrogen 2.958 N/A LEU 512.A N GLN 508.A O no hydrogen 2.894 N/A LYS 513.A N GLU 509.A O no hydrogen 3.305 N/A LYS 514.A N GLU 509.A O no hydrogen 3.387 N/A LEU 516.A N MET 510.A O no hydrogen 3.110 N/A SER 519.A OG GLU 488.A OE2 no hydrogen 2.518 N/A TYR 523.A N SER 519.A O no hydrogen 3.351 N/A HIS 524.A N ARG 520.A O no hydrogen 2.942 N/A CYS 525.A N ARG 521.A O no hydrogen 2.905 N/A CYS 525.A SG ARG 521.A O no hydrogen 3.257 N/A ILE 527.A N TYR 523.A O no hydrogen 2.971 N/A PHE 528.A N HIS 524.A O no hydrogen 2.907 N/A MET 529.A N CYS 525.A O no hydrogen 2.902 N/A HIS 530.A ND1 MET 526.A O no hydrogen 2.831 N/A HIS 530.A NE2 GLU 504.A OE2 no hydrogen 2.831 N/A LEU 531.A N ILE 527.A O no hydrogen 2.939 N/A SER 532.A N PHE 528.A O no hydrogen 2.896 N/A SER 532.A OG PHE 528.A O no hydrogen 2.801 N/A SER 533.A N MET 529.A O no hydrogen 3.105 N/A SER 533.A OG MET 529.A O no hydrogen 3.107 N/A SER 533.A OG HIS 530.A O no hydrogen 3.007 N/A ARG 541.A N GLY 537.A O no hydrogen 3.268 N/A ARG 541.A N GLY 538.A O no hydrogen 3.290 N/A ALA 542.A N GLY 538.A O no hydrogen 2.926 N/A LEU 543.A N THR 539.A O no hydrogen 2.883 N/A ARG 544.A NH1 GLU 547.A OE2 no hydrogen 3.466 N/A TYR 545.A N ARG 541.A O no hydrogen 2.956 N/A LEU 546.A N ALA 542.A O no hydrogen 2.906 N/A GLU 547.A N LEU 543.A O no hydrogen 2.885 N/A ALA 548.A N ARG 544.A O no hydrogen 2.914 N/A MET 549.A N TYR 545.A O no hydrogen 2.897 N/A GLU 550.A N LEU 546.A O no hydrogen 2.905 N/A ARG 551.A N GLU 547.A O no hydrogen 2.933 N/A ARG 557.A NE GLN 555.A OE1 no hydrogen 3.402 N/A LEU 561.A N ARG 557.A O no hydrogen 3.391 N/A LYS 562.A N PRO 558.A O no hydrogen 2.963 N/A LYS 563.A N SER 559.A O no hydrogen 2.897 N/A ILE 564.A N LEU 560.A O no hydrogen 2.844 N/A VAL 565.A N LEU 561.A O no hydrogen 3.013 N/A ARG 566.A N LYS 562.A O no hydrogen 2.947 N/A VAL 567.A N LYS 563.A O no hydrogen 2.837 N/A ASN 568.A N ILE 564.A O no hydrogen 2.936 N/A ASN 569.A N VAL 565.A O no hydrogen 2.962 N/A ALA 570.A N ARG 566.A O no hydrogen 2.911 N/A ALA 571.A N VAL 567.A O no hydrogen 2.859 N/A LYS 574.A NZ ASP 658.A OD2 no hydrogen 2.859 N/A ARG 575.A N ALA 571.A O no hydrogen 2.973 N/A ARG 575.A NH2 ASN 568.A OD1 no hydrogen 2.753 N/A ASP 576.A N GLY 572.A O no hydrogen 2.888 N/A MET 577.A N TYR 573.A O no hydrogen 2.942 N/A LYS 578.A N LYS 574.A O no hydrogen 2.980 N/A ARG 579.A N ARG 575.A O no hydrogen 2.947 N/A ARG 579.A NH1 GLU 536.A OE1 no hydrogen 3.158 N/A ARG 580.A N ASP 576.A O no hydrogen 2.893 N/A ALA 581.A N MET 577.A O no hydrogen 2.991 N/A ILE 584.A N ARG 580.A O no hydrogen 2.969 N/A MET 585.A N ALA 581.A O no hydrogen 2.923 N/A GLN 586.A N ARG 582.A O no hydrogen 2.970 N/A ALA 587.A N ARG 583.A O no hydrogen 2.919 N/A ARG 588.A N ILE 584.A O no hydrogen 2.908 N/A ARG 588.A NH1 HIS 649.A O no hydrogen 2.425 N/A GLU 589.A N MET 585.A O no hydrogen 2.971 N/A GLU 590.A N GLN 586.A O no hydrogen 2.957 N/A TYR 591.A N ALA 587.A O no hydrogen 2.885 N/A LEU 592.A N ARG 588.A O no hydrogen 2.946 N/A ALA 593.A N GLU 589.A O no hydrogen 2.960 N/A ARG 594.A N GLU 590.A O no hydrogen 2.913 N/A LYS 595.A N TYR 591.A O no hydrogen 2.930 N/A LYS 595.A NZ GLU 650.A OE2 no hydrogen 2.770 N/A GLU 596.A N ALA 593.A O no hydrogen 3.168 N/A GLU 597.A N ALA 593.A O no hydrogen 2.960 N/A GLY 598.A N ARG 594.A O no hydrogen 3.386 N/A GLU 603.A N VAL 599.A O no hydrogen 2.924 N/A SER 610.A N LYS 606.A O no hydrogen 3.052 N/A ASN 611.A N GLU 607.A O no hydrogen 2.915 N/A GLN 612.A N GLY 608.A O no hydrogen 2.901 N/A ASP 617.A N ASN 621.A O no hydrogen 3.390 N/A GLU 619.A N ASP 617.A OD2 no hydrogen 3.179 N/A ILE 623.A N ASP 615.A O no hydrogen 3.056 N/A SER 630.A OG THR 632.A OG1 no hydrogen 2.957 N/A THR 632.A OG1 SER 630.A OG no hydrogen 2.957 N/A SER 633.A N SER 630.A O no hydrogen 3.243 N/A TRP 637.A N SER 633.A O no hydrogen 3.480 N/A TRP 638.A N THR 634.A O no hydrogen 2.895 N/A GLU 639.A N LEU 635.A O no hydrogen 2.962 N/A LYS 640.A N ALA 636.A O no hydrogen 2.949 N/A LYS 640.A NZ GLU 644.A OE1 no hydrogen 2.735 N/A TRP 641.A N TRP 637.A O no hydrogen 2.846 N/A LYS 642.A N TRP 638.A O no hydrogen 2.866 N/A ARG 643.A N GLU 639.A O no hydrogen 2.946 N/A GLU 644.A N LYS 640.A O no hydrogen 2.878 N/A THR 645.A OG1 TRP 641.A O no hydrogen 2.336 N/A SER 647.A OG TYR 591.A OH no hydrogen 3.206 N/A THR 653.A OG1 GLU 654.A OE1 no hydrogen 2.373 N/A GLY 656.A N THR 660.A O no hydrogen 2.848 N/A THR 660.A OG1 ASP 658.A O no hydrogen 3.129 N/A GLY 663.A N GLU 668.A OE1 no hydrogen 2.469 N/A GLU 667.A N GLU 667.A OE1 no hydrogen 2.903 N/A LYS 669.A N THR 665.A O no hydrogen 3.417 N/A LYS 669.A NZ ASN 670.A OD1 no hydrogen 3.356 N/A ASN 670.A N PHE 666.A O no hydrogen 2.895 N/A ASN 670.A ND2 GLN 683.A O no hydrogen 3.041 N/A GLU 671.A N GLU 667.A O no hydrogen 2.913 N/A ALA 672.A N GLU 668.A O no hydrogen 2.906 N/A LEU 673.A N LYS 669.A O no hydrogen 2.919 N/A ARG 674.A N ASN 670.A O no hydrogen 2.893 N/A MET 675.A N GLU 671.A O no hydrogen 2.944 N/A MET 676.A N ALA 672.A O no hydrogen 3.064 N/A GLY 677.A N ARG 674.A O no hydrogen 3.163 N/A ILE 678.A N LEU 673.A O no hydrogen 2.676 N/A SER 680.A OG PHE 682.A O no hydrogen 3.000 N/A PHE 682.A N SER 680.A OG no hydrogen 3.299 N/A GLN 683.A NE2 SER 680.A O no hydrogen 2.532 N/A THR 684.A OG1 ASP 686.A OD1 no hydrogen 2.745 N/A LEU 687.A N THR 684.A O no hydrogen 3.284 N/A ARG 693.A N GLN 690.A O no hydrogen 3.166 N/A ILE 700.A N LEU 696.A O no hydrogen 2.930 N/A ARG 701.A N LEU 697.A O no hydrogen 2.934 N/A ARG 702.A N PRO 698.A O no hydrogen 2.898 N/A ARG 702.A NE PRO 698.A O no hydrogen 2.972 N/A GLY 705.A N ILE 700.A O no hydrogen 3.435 N/A SER 710.A OG TYR 721.A OH no hydrogen 3.111 N/A TYR 721.A OH SER 710.A OG no hydrogen 3.111 N/A LYS 723.A N GLN 729.A O no hydrogen 3.292 N/A GLY 730.A N GLY 727.A O no hydrogen 3.418 N/A LEU 735.A N TRP 731.A O no hydrogen 2.917 N/A TRP 736.A N GLY 732.A O no hydrogen 2.890 N/A ARG 737.A N VAL 733.A O no hydrogen 2.907 N/A GLU 738.A N ARG 734.A O no hydrogen 2.938 N/A ARG 739.A N LEU 735.A O no hydrogen 2.898 N/A GLN 740.A N TRP 736.A O no hydrogen 2.896 N/A LEU 741.A N ARG 737.A O no hydrogen 2.984 N/A VAL 742.A N GLU 738.A O no hydrogen 2.934 N/A LYS 743.A N ARG 739.A O no hydrogen 2.845 N/A ARG 744.A N GLN 740.A O no hydrogen 2.923 N/A GLU 745.A N LEU 741.A O no hydrogen 2.986 N/A TYR 746.A N VAL 742.A O no hydrogen 2.815 N/A GLN 747.A N LYS 743.A O no hydrogen 2.875 N/A GLN 747.A NE2 ASP 751.A OD2 no hydrogen 3.542 N/A LYS 748.A N ARG 744.A O no hydrogen 2.962 N/A VAL 749.A N GLU 745.A O no hydrogen 2.917 N/A LEU 750.A N TYR 746.A O no hydrogen 2.917 N/A ASP 751.A N GLN 747.A O no hydrogen 3.241 N/A GLY 752.A N VAL 749.A O no hydrogen 3.284 N/A TYR 753.A N LYS 748.A O no hydrogen 3.140 N/A ARG 754.A N LYS 748.A O no hydrogen 3.331 N/A LEU 759.A N GLN 781.A O no hydrogen 2.610 N/A GLY 763.A N SER 760.A OG no hydrogen 2.953 N/A ASN 764.A N SER 760.A O no hydrogen 2.845 N/A SER 765.A N THR 761.A O no hydrogen 2.920 N/A SER 765.A OG THR 761.A O no hydrogen 2.802 N/A ARG 767.A N ASN 764.A O no hydrogen 3.318 N/A GLN 772.A N THR 768.A O no hydrogen 3.051 N/A GLN 772.A NE2 ARG 767.A O no hydrogen 2.897 N/A LEU 773.A N ALA 769.A O no hydrogen 2.909 N/A ASP 774.A N GLY 770.A O no hydrogen 2.928 N/A ILE 775.A N ASP 771.A O no hydrogen 2.913 N/A GLU 776.A N GLN 772.A O no hydrogen 2.920 N/A ARG 777.A N LEU 773.A O no hydrogen 2.932 N/A ARG 777.A NE LEU 773.A O no hydrogen 3.179 N/A SER 778.A N ASP 774.A O no hydrogen 2.930 N/A SER 778.A N ILE 775.A O no hydrogen 3.301 N/A SER 778.A OG ASP 774.A O no hydrogen 2.368 N/A GLY 779.A N ILE 775.A O no hydrogen 2.801 N/A GLN 781.A NE2 GLY 779.A O no hydrogen 3.247 N/A GLY 784.A N THR 782.A OG1 no hydrogen 3.121 N/A GLU 785.A N THR 782.A O no hydrogen 3.115 N/A LEU 786.A N THR 782.A O no hydrogen 3.447 N/A SER 787.A N PRO 783.A O no hydrogen 2.924 N/A SER 787.A OG GLY 784.A O no hydrogen 2.538 N/A ASP 788.A N GLY 784.A O no hydrogen 2.932 N/A TYR 789.A N GLU 785.A O no hydrogen 2.876 N/A ARG 790.A N LEU 786.A O no hydrogen 2.954 N/A ARG 790.A NH1 ASP 771.A OD2 no hydrogen 3.422 N/A ARG 790.A NH2 ASP 774.A OD2 no hydrogen 3.317 N/A ASN 791.A N SER 787.A O no hydrogen 2.888 N/A PHE 792.A N ASP 788.A O no hydrogen 3.175 N/A ASN 795.A N PHE 792.A O no hydrogen 3.331 N/A PHE 797.A N GLN 801.A O no hydrogen 2.859 N/A ALA 808.A N GLU 805.A O no hydrogen 3.390 N/A GLU 817.A N PHE 814.A O no hydrogen 2.915 N/A GLY 822.A N VAL 819.A O no hydrogen 3.183 N/A GLU 823.A N VAL 819.A O no hydrogen 2.904 N/A SER 829.A OG GLU 823.A O no hydrogen 2.843 N/A TYR 831.A N LEU 828.A O no hydrogen 3.052 N/A TYR 831.A OH GLU 361.A OE2 no hydrogen 3.111 N/A LYS 832.A N SER 829.A O no hydrogen 3.364 N/A LYS 832.A NZ ASP 826.A OD2 no hydrogen 3.087 N/A LYS 832.A NZ GLU 840.A OE2 no hydrogen 3.367 N/A ILE 837.A N SER 833.A O no hydrogen 3.453 N/A ALA 838.A N ASP 834.A O no hydrogen 2.930 N/A LEU 839.A N GLU 835.A O no hydrogen 2.881 N/A GLU 840.A N GLU 836.A O no hydrogen 2.897 N/A ASN 841.A N ILE 837.A O no hydrogen 2.921 N/A ASN 843.A N ALA 838.A O no hydrogen 3.346 N/A THR 844.A N ASP 842.A OD1 no hydrogen 2.971 N/A THR 844.A OG1 ASP 842.A OD1 no hydrogen 2.911 N/A SER 847.A OG ALA 838.A O no hydrogen 3.492 N/A SER 847.A OG ASP 842.A OD1 no hydrogen 2.430 N/A SER 847.A OG ASP 842.A OD2 no hydrogen 3.167 N/A SER 848.A N PHE 845.A O no hydrogen 2.987 N/A ARG 852.A NH2 GLU 370.A O no hydrogen 3.539 N/A SER 854.A OG GLU 369.A O no hydrogen 3.498 N/A TYR 858.A OH SER 847.A O no hydrogen 3.358 N/A LEU 859.A N LYS 855.A O no hydrogen 2.980 N/A GLU 860.A N PHE 856.A O no hydrogen 2.853 N/A LYS 861.A N ASP 857.A O no hydrogen 2.930 N/A LYS 861.A NZ PHE 845.A O no hydrogen 2.454 N/A LYS 861.A NZ PHE 846.A O no hydrogen 3.424 N/A LYS 861.A NZ SER 848.A O no hydrogen 2.421 N/A TRP 862.A N TYR 858.A O no hydrogen 2.919 N/A TRP 862.A NE1 PHE 846.A O no hydrogen 3.144 N/A ARG 863.A N LEU 859.A O no hydrogen 2.920 N/A MET 865.A N LYS 861.A O no hydrogen 2.952 N/A TYR 866.A N TRP 862.A O no hydrogen 2.915 N/A TYR 866.A N ARG 863.A O no hydrogen 3.163 N/A ARG 867.A N ARG 863.A O no hydrogen 3.153 N/A ARG 867.A NH2 PHE 21.A O no hydrogen 3.234 N/A LEU 871.A N MET 865.A O no hydrogen 2.546 N/A THR 878.A OG1 ALA 14.A O no hydrogen 3.490 N/A LEU 879.A N ALA 14.A O no hydrogen 3.051 N/A ASN 880.A ND2 PRO 877.A O no hydrogen 3.166 N/A ARG 883.A N ASP 887.A OD2 no hydrogen 3.056 N/A THR 884.A N ASP 887.A OD2 no hydrogen 2.984 N/A THR 884.A OG1 ASP 886.A O no hydrogen 2.927 N/A THR 884.A OG1 ASP 886.A OD1 no hydrogen 3.524 N/A THR 884.A OG1 ASP 887.A OD1 no hydrogen 2.454 N/A THR 891.A N ASP 887.A O no hydrogen 3.223 N/A THR 891.A OG1 THR 878.A O no hydrogen 2.347 N/A MET 892.A N HIS 888.A O no hydrogen 2.919 N/A ALA 893.A N LYS 889.A O no hydrogen 2.910 N/A LEU 895.A N MET 892.A O no hydrogen 3.339 N/A ARG 897.A NE ARG 897.A O no hydrogen 3.530 N/A TRP 899.A N LEU 895.A O no hydrogen 3.040 N/A TRP 899.A NE1 GLU 817.A OE2 no hydrogen 3.142 N/A TYR 900.A N VAL 896.A O no hydrogen 2.924 N/A GLN 901.A N ARG 897.A O no hydrogen 2.915 N/A ARG 902.A N GLY 898.A O no hydrogen 2.879 N/A ASN 903.A N TRP 899.A O no hydrogen 2.936 N/A ARG 904.A N GLN 901.A O no hydrogen 3.315 N/A LYS 905.A N GLN 901.A O no hydrogen 2.903 N/A ALA 908.A N ARG 904.A O no hydrogen 3.344 N/A SER 909.A N LYS 905.A O no hydrogen 3.031 N/A SER 909.A OG GLU 906.A O no hydrogen 2.572 N/A GLU 910.A N GLU 906.A O no hydrogen 2.911 N/A GLU 911.A N PRO 907.A O no hydrogen 2.882 N/A GLU 912.A N ALA 908.A O no hydrogen 2.921 N/A