Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7aqr_G.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N GLU 40.A O no hydrogen 2.943 N/A GLY 6.A N PRO 3.A O no hydrogen 3.102 N/A GLU 15.A N GLU 15.A OE1 no hydrogen 2.710 N/A ALA 17.A N GLU 15.A O no hydrogen 2.956 N/A VAL 20.A N VAL 27.A O no hydrogen 2.874 N/A PHE 21.A N MET 86.A O no hydrogen 3.035 N/A VAL 27.A N VAL 20.A O no hydrogen 2.866 N/A VAL 29.A N ILE 18.A O no hydrogen 3.020 N/A PHE 33.A N PRO 30.A O no hydrogen 3.413 N/A THR 34.A OG1 SER 77.A O no hydrogen 3.378 N/A VAL 35.A N MET 80.A O no hydrogen 2.857 N/A LEU 36.A N SER 77.A O no hydrogen 2.753 N/A GLN 37.A N THR 34.A OG1 no hydrogen 3.353 N/A ALA 38.A N THR 34.A O no hydrogen 2.915 N/A CYS 39.A N VAL 35.A O no hydrogen 2.915 N/A CYS 39.A SG VAL 35.A O no hydrogen 3.255 N/A GLU 40.A N LEU 36.A O no hydrogen 2.892 N/A VAL 41.A N GLN 37.A O no hydrogen 2.929 N/A ALA 42.A N ALA 38.A O no hydrogen 3.184 N/A GLY 43.A N GLU 40.A O no hydrogen 3.414 N/A VAL 44.A N CYS 39.A O no hydrogen 2.958 N/A CYS 50.A SG ALA 58.A O no hydrogen 3.051 N/A ARG 54.A N HIS 52.A ND1 no hydrogen 3.007 N/A LEU 55.A N HIS 52.A O no hydrogen 3.058 N/A SER 56.A N GLU 174.A OE1 no hydrogen 3.089 N/A SER 56.A OG GLU 174.A OE2 no hydrogen 2.780 N/A ASN 60.A N ALA 58.A O no hydrogen 2.778 N/A ASN 60.A ND2 CYS 165.A O no hydrogen 3.159 N/A VAL 66.A N VAL 75.A O no hydrogen 3.066 N/A GLU 67.A N LYS 89.A O no hydrogen 2.949 N/A VAL 75.A N VAL 66.A O no hydrogen 3.218 N/A SER 77.A N CYS 64.A O no hydrogen 3.253 N/A SER 77.A OG CYS 64.A O no hydrogen 2.851 N/A ALA 79.A N ALA 76.A O no hydrogen 3.202 N/A MET 80.A N ALA 76.A O no hydrogen 2.955 N/A ALA 82.A N PHE 33.A O no hydrogen 2.854 N/A GLY 85.A N GLU 19.A O no hydrogen 2.877 N/A MET 86.A N LEU 83.A O no hydrogen 3.173 N/A ILE 88.A N PHE 21.A O no hydrogen 2.838 N/A LYS 89.A N GLU 67.A O no hydrogen 2.839 N/A LYS 89.A NZ GLU 69.A OE2 no hydrogen 2.846 N/A THR 92.A OG1 GLU 67.A OE1 no hydrogen 2.695 N/A LYS 96.A N THR 92.A O no hydrogen 3.059 N/A LYS 97.A N PRO 93.A O no hydrogen 2.839 N/A ALA 98.A N ILE 94.A O no hydrogen 2.931 N/A ARG 99.A N ALA 95.A O no hydrogen 2.937 N/A ARG 99.A NH2 THR 90.A O no hydrogen 2.522 N/A GLU 100.A N LYS 96.A O no hydrogen 2.926 N/A GLU 100.A N GLU 100.A OE1 no hydrogen 2.941 N/A GLY 101.A N LYS 97.A O no hydrogen 2.938 N/A VAL 102.A N ALA 98.A O no hydrogen 2.916 N/A MET 103.A N ARG 99.A O no hydrogen 2.907 N/A GLU 104.A N GLU 100.A O no hydrogen 3.184 N/A PHE 105.A N GLY 101.A O no hydrogen 2.956 N/A LEU 106.A N VAL 102.A O no hydrogen 2.878 N/A LEU 107.A N MET 103.A O no hydrogen 2.914 N/A CYS 114.A SG GLN 126.A OE1 no hydrogen 3.649 N/A CYS 117.A N CYS 114.A O no hydrogen 3.132 N/A GLN 119.A NE2 GLU 122.A O no hydrogen 3.170 N/A GLY 120.A N CYS 117.A O no hydrogen 3.124 N/A GLU 122.A N GLN 119.A O no hydrogen 3.222 N/A CYS 123.A SG PRO 213.A O no hydrogen 3.855 N/A ASP 124.A N PRO 213.A O no hydrogen 3.350 N/A GLN 126.A NE2 GLY 120.A O no hydrogen 2.103 N/A ASP 127.A N CYS 123.A O no hydrogen 3.265 N/A GLN 128.A N ASP 124.A O no hydrogen 3.015 N/A GLN 128.A NE2 ARG 48.A O no hydrogen 2.888 N/A SER 129.A N LEU 125.A O no hydrogen 2.897 N/A MET 130.A N GLN 126.A O no hydrogen 2.916 N/A ALA 131.A N ASP 127.A O no hydrogen 3.241 N/A PHE 132.A N GLN 128.A O no hydrogen 2.718 N/A THR 140.A N GLU 141.A OE1 no hydrogen 3.177 N/A THR 140.A OG1 GLU 141.A OE1 no hydrogen 3.398 N/A GLU 141.A N GLU 141.A OE1 no hydrogen 2.712 N/A LYS 143.A NZ MET 108.A O no hydrogen 2.893 N/A LYS 143.A NZ HIS 110.A O no hydrogen 2.991 N/A LYS 149.A NZ ILE 192.A O no hydrogen 2.720 N/A GLY 152.A N ASN 150.A OD1 no hydrogen 3.315 N/A LYS 156.A N THR 218.A O no hydrogen 2.602 N/A VAL 158.A N ALA 216.A O no hydrogen 3.011 N/A MET 159.A N ASP 148.A OD1 no hydrogen 3.265 N/A THR 160.A OG1 VAL 146.A O no hydrogen 3.346 N/A ARG 161.A N VAL 158.A O no hydrogen 3.435 N/A ARG 161.A NE ASP 113.A OD1 no hydrogen 3.022 N/A ARG 161.A NE ASP 113.A OD2 no hydrogen 3.391 N/A ARG 161.A NH1 GLY 215.A O no hydrogen 3.451 N/A CYS 162.A N MET 159.A O no hydrogen 3.191 N/A GLN 164.A NE2 GLU 190.A O no hydrogen 3.218 N/A THR 166.A OG1 CYS 165.A O no hydrogen 2.538 N/A ARG 167.A NH1 PHE 49.A O no hydrogen 2.790 N/A ARG 170.A N THR 166.A O no hydrogen 3.071 N/A ARG 170.A NE SER 56.A O no hydrogen 3.051 N/A ARG 170.A NH1 CYS 50.A O no hydrogen 3.006 N/A ARG 170.A NH1 THR 166.A OG1 no hydrogen 3.339 N/A ARG 170.A NH2 CYS 50.A O no hydrogen 2.510 N/A PHE 171.A N ARG 167.A O no hydrogen 2.898 N/A ALA 172.A N CYS 168.A O no hydrogen 2.910 N/A SER 173.A N VAL 169.A O no hydrogen 2.918 N/A SER 173.A OG VAL 169.A O no hydrogen 3.036 N/A GLU 174.A N ARG 170.A O no hydrogen 2.897 N/A VAL 175.A N PHE 171.A O no hydrogen 2.893 N/A ALA 176.A N PHE 171.A O no hydrogen 2.903 N/A GLY 177.A N ALA 172.A O no hydrogen 3.227 N/A GLY 182.A N GLY 193.A O no hydrogen 3.259 N/A LEU 184.A N GLU 191.A O no hydrogen 2.602 N/A GLU 190.A N GLY 187.A O no hydrogen 3.133 N/A GLU 191.A N LEU 184.A O no hydrogen 2.622 N/A GLY 193.A N GLY 182.A O no hydrogen 3.112 N/A THR 194.A OG1 VAL 196.A O no hydrogen 2.355 N/A VAL 196.A N THR 194.A O no hydrogen 2.548 N/A MET 200.A N LEU 151.A O no hydrogen 2.940 N/A GLU 203.A N GLU 203.A OE1 no hydrogen 2.914 N/A SER 205.A N SER 202.A O no hydrogen 3.206 N/A SER 205.A OG SER 202.A O no hydrogen 3.360 N/A SER 205.A OG ASP 274.A OD2 no hydrogen 2.903 N/A GLY 206.A N ASP 274.A OD1 no hydrogen 2.731 N/A ASN 207.A N LEU 204.A O no hydrogen 3.381 N/A ASN 207.A ND2 LEU 204.A O no hydrogen 3.211 N/A ASN 207.A ND2 ILE 272.A O no hydrogen 2.557 N/A VAL 208.A N SER 205.A O no hydrogen 3.313 N/A ILE 209.A N GLY 206.A O no hydrogen 3.139 N/A ILE 211.A N ASN 207.A O no hydrogen 3.324 N/A CYS 212.A N VAL 208.A O no hydrogen 3.333 N/A CYS 212.A SG VAL 214.A O no hydrogen 3.343 N/A THR 218.A N LYS 156.A O no hydrogen 2.989 N/A THR 218.A OG1 LYS 156.A O no hydrogen 3.522 N/A LYS 220.A N LEU 154.A O no hydrogen 3.037 N/A LYS 220.A NZ GLY 152.A O no hydrogen 2.707 N/A PHE 224.A N ASP 118.A OD1 no hydrogen 3.067 N/A LYS 225.A NZ PRO 221.A O no hydrogen 3.352 N/A LYS 225.A NZ ALA 223.A O no hydrogen 3.544 N/A ARG 227.A N GLU 230.A OE2 no hydrogen 3.152 N/A ARG 227.A NH1 CYS 117.A O no hydrogen 2.401 N/A ARG 227.A NH2 PRO 115.A O no hydrogen 2.361 N/A ASN 228.A ND2 GLY 121.A O no hydrogen 2.856 N/A GLU 230.A N ARG 227.A O no hydrogen 3.118 N/A LEU 231.A N ASN 228.A O no hydrogen 3.215 N/A LYS 232.A N SER 251.A O no hydrogen 2.959 N/A LYS 232.A NZ THR 234.A OG1 no hydrogen 3.209 N/A THR 234.A N VAL 249.A O no hydrogen 2.829 N/A THR 236.A N ILE 247.A O no hydrogen 3.226 N/A THR 236.A OG1 VAL 585.A O no hydrogen 3.121 N/A ASP 238.A N SER 245.A O no hydrogen 2.876 N/A SER 240.A N ASP 238.A OD1 no hydrogen 3.068 N/A SER 240.A OG ASP 238.A OD1 no hydrogen 2.890 N/A SER 240.A OG ASP 238.A OD2 no hydrogen 3.097 N/A SER 240.A OG ASP 241.A OD1 no hydrogen 3.370 N/A SER 240.A OG THR 276.A OG1 no hydrogen 3.386 N/A ILE 247.A N THR 236.A O no hydrogen 2.999 N/A ARG 248.A N ILE 260.A O no hydrogen 2.848 N/A ARG 248.A NH2 ASP 250.A OD2 no hydrogen 2.424 N/A VAL 249.A N THR 234.A O no hydrogen 2.735 N/A ASP 250.A N ARG 258.A O no hydrogen 3.006 N/A SER 251.A N LYS 232.A O no hydrogen 3.137 N/A ARG 252.A N GLU 255.A O no hydrogen 3.221 N/A ARG 252.A NH1 LYS 225.A O no hydrogen 3.307 N/A ARG 252.A NH1 GLU 230.A OE2 no hydrogen 3.375 N/A MET 257.A N ASP 250.A O no hydrogen 2.905 N/A ARG 258.A N ASP 250.A O no hydrogen 3.234 N/A ARG 258.A NH1 GLU 122.A OE2 no hydrogen 3.259 N/A ARG 258.A NH2 GLU 122.A OE1 no hydrogen 3.075 N/A ILE 260.A N ARG 248.A O no hydrogen 3.371 N/A ARG 262.A NH1 THR 236.A O no hydrogen 2.624 N/A ARG 262.A NH1 ILE 247.A O no hydrogen 2.813 N/A ILE 267.A N ASN 264.A O no hydrogen 3.370 N/A ASN 268.A ND2 ASN 246.A O no hydrogen 2.974 N/A ASN 268.A ND2 ARG 262.A O no hydrogen 3.126 N/A GLU 269.A N ASN 264.A O no hydrogen 2.726 N/A ILE 272.A N ASN 207.A OD1 no hydrogen 3.118 N/A SER 273.A OG THR 276.A OG1 no hydrogen 3.301 N/A ASP 274.A N GLU 203.A O no hydrogen 2.709 N/A LYS 275.A NZ THR 669.A OG1 no hydrogen 3.155 N/A THR 276.A N SER 273.A OG no hydrogen 3.369 N/A THR 276.A OG1 ASP 238.A OD2 no hydrogen 2.259 N/A THR 276.A OG1 SER 240.A OG no hydrogen 3.386 N/A THR 276.A OG1 SER 273.A OG no hydrogen 3.301 N/A ARG 277.A N SER 273.A O no hydrogen 2.921 N/A ARG 277.A NH1 ASP 210.A OD1 no hydrogen 2.750 N/A ARG 277.A NH1 ASP 210.A OD2 no hydrogen 3.023 N/A ARG 277.A NH2 ASN 207.A OD1 no hydrogen 3.016 N/A ARG 277.A NH2 ASP 210.A OD1 no hydrogen 2.483 N/A PHE 278.A N ASP 274.A O no hydrogen 3.333 N/A CYS 279.A SG THR 276.A O no hydrogen 3.228 N/A LYS 284.A NZ TYR 280.A O no hydrogen 3.298 N/A ARG 285.A N GLY 282.A O no hydrogen 3.377 N/A ARG 285.A NH1 ALA 675.A O no hydrogen 2.567 N/A ARG 287.A NE HIS 549.A O no hydrogen 3.257 N/A ARG 287.A NH1 LEU 283.A O no hydrogen 3.193 N/A ARG 287.A NH1 GLU 569.A OE2 no hydrogen 3.268 N/A ARG 287.A NH2 ALA 564.A O no hydrogen 3.382 N/A ARG 287.A NH2 GLU 569.A OE1 no hydrogen 3.354 N/A LEU 288.A N HIS 549.A O no hydrogen 2.909 N/A MET 292.A N ILE 561.A O no hydrogen 3.038 N/A ILE 293.A N LYS 301.A O no hydrogen 3.347 N/A ARG 294.A N ASN 559.A O no hydrogen 3.284 N/A ARG 294.A NE ALA 558.A O no hydrogen 2.951 N/A ARG 294.A NH1 GLY 298.A O no hydrogen 3.530 N/A ASP 295.A N ARG 299.A O no hydrogen 2.725 N/A GLY 298.A N ASP 295.A O no hydrogen 3.167 N/A ARG 299.A N ASP 297.A OD1 no hydrogen 3.223 N/A ARG 299.A NE ASP 297.A OD2 no hydrogen 3.123 N/A ARG 299.A NH2 ASP 297.A OD2 no hydrogen 3.365 N/A LYS 301.A N ILE 293.A O no hydrogen 3.188 N/A LYS 301.A NZ ASP 295.A OD2 no hydrogen 2.999 N/A VAL 303.A N PRO 291.A O no hydrogen 2.719 N/A TRP 305.A NE1 ASP 593.A O no hydrogen 2.813 N/A ARG 306.A N SER 304.A OG no hydrogen 3.320 N/A ALA 308.A N SER 304.A O no hydrogen 3.363 N/A LEU 309.A N TRP 305.A O no hydrogen 3.087 N/A ALA 310.A N ARG 306.A O no hydrogen 3.005 N/A VAL 311.A N ASP 307.A O no hydrogen 2.901 N/A VAL 312.A N ALA 308.A O no hydrogen 2.995 N/A GLY 313.A N LEU 309.A O no hydrogen 2.887 N/A ASP 314.A N ALA 310.A O no hydrogen 2.887 N/A ILE 315.A N VAL 311.A O no hydrogen 2.955 N/A ILE 316.A N VAL 312.A O no hydrogen 2.922 N/A HIS 317.A NE2 SER 608.A O no hydrogen 2.465 N/A GLN 318.A N ILE 315.A O no hydrogen 3.261 N/A GLN 318.A NE2 ASP 314.A OD1 no hydrogen 3.454 N/A GLU 323.A N LYS 320.A O no hydrogen 2.931 N/A VAL 325.A N PHE 524.A O no hydrogen 2.922 N/A GLY 326.A N ASN 351.A O no hydrogen 3.013 N/A VAL 327.A N TYR 526.A O no hydrogen 3.083 N/A ALA 328.A N TRP 353.A O no hydrogen 2.696 N/A GLY 329.A N SER 332.A OG no hydrogen 3.283 N/A SER 332.A OG GLY 329.A O no hydrogen 3.565 N/A ALA 334.A N THR 573.A O no hydrogen 3.118 N/A GLU 335.A N GLU 335.A OE1 no hydrogen 2.901 N/A SER 336.A N ASP 333.A OD1 no hydrogen 3.197 N/A SER 336.A OG ASP 333.A O no hydrogen 2.855 N/A SER 336.A OG ASP 333.A OD1 no hydrogen 2.609 N/A MET 337.A N ASP 333.A O no hydrogen 3.245 N/A MET 338.A N ALA 334.A O no hydrogen 2.968 N/A VAL 339.A N GLU 335.A O no hydrogen 2.932 N/A LEU 340.A N SER 336.A O no hydrogen 2.892 N/A LYS 341.A N MET 337.A O no hydrogen 2.890 N/A LYS 341.A NZ LEU 509.A O no hydrogen 2.567 N/A ASP 342.A N MET 338.A O no hydrogen 2.943 N/A PHE 343.A N VAL 339.A O no hydrogen 2.909 N/A VAL 344.A N LEU 340.A O no hydrogen 2.937 N/A ASN 345.A N LYS 341.A O no hydrogen 2.899 N/A ARG 346.A N ASP 342.A O no hydrogen 2.937 N/A MET 347.A N PHE 343.A O no hydrogen 3.197 N/A GLY 348.A N ASN 345.A O no hydrogen 3.145 N/A SER 349.A N VAL 344.A O no hydrogen 3.145 N/A SER 349.A OG ILE 324.A O no hydrogen 2.707 N/A ASN 351.A N SER 349.A OG no hydrogen 3.153 N/A ASN 351.A ND2 SER 349.A OG no hydrogen 3.177 N/A TRP 353.A N GLY 326.A O no hydrogen 3.297 N/A CYS 354.A SG GLY 329.A O no hydrogen 3.519 N/A THR 357.A OG1 ALA 462.A O no hydrogen 3.232 N/A ALA 358.A N GLY 356.A O no hydrogen 2.617 N/A ARG 366.A NH1 ASP 508.A OD1 no hydrogen 3.081 N/A ARG 366.A NH1 GLU 575.A OE2 no hydrogen 2.749 N/A ARG 366.A NH2 GLU 575.A OE2 no hydrogen 3.449 N/A SER 368.A OG ASP 362.A O no hydrogen 3.279 N/A TYR 369.A OH ASP 508.A OD1 no hydrogen 2.401 N/A MET 371.A N THR 577.A O no hydrogen 2.602 N/A ASN 372.A ND2 TYR 367.A O no hydrogen 2.764 N/A ASN 372.A ND2 LEU 494.A O no hydrogen 3.012 N/A THR 373.A N ASN 495.A OD1 no hydrogen 2.650 N/A THR 373.A OG1 ASN 492.A O no hydrogen 2.156 N/A THR 373.A OG1 ASN 495.A OD1 no hydrogen 3.259 N/A SER 374.A OG SER 376.A OG no hydrogen 3.290 N/A SER 374.A OG GLU 578.A OE1 no hydrogen 3.012 N/A ILE 375.A N GLU 578.A OE1 no hydrogen 2.980 N/A SER 376.A OG ASP 266.A OD1 no hydrogen 3.218 N/A SER 376.A OG SER 374.A OG no hydrogen 3.290 N/A LEU 378.A N ILE 375.A O no hydrogen 2.943 N/A ASN 380.A N GLY 377.A O no hydrogen 3.452 N/A ALA 381.A N LEU 378.A O no hydrogen 3.327 N/A ASP 382.A N ASN 455.A O no hydrogen 2.767 N/A PHE 384.A N LYS 412.A O no hydrogen 2.873 N/A LEU 385.A N ALA 457.A O no hydrogen 2.930 N/A LEU 386.A N GLY 414.A O no hydrogen 2.854 N/A ILE 387.A N ILE 459.A O no hydrogen 3.074 N/A GLY 388.A N VAL 416.A O no hydrogen 2.581 N/A THR 389.A OG1 GLU 394.A OE2 no hydrogen 3.383 N/A GLN 390.A NE2 TYR 415.A OH no hydrogen 3.337 N/A ARG 392.A NE GLU 203.A OE1 no hydrogen 3.196 N/A VAL 393.A N GLN 390.A O no hydrogen 3.142 N/A GLU 394.A N GLN 390.A O no hydrogen 2.961 N/A ALA 395.A N PRO 391.A O no hydrogen 3.053 N/A ASN 399.A N ALA 395.A O no hydrogen 3.163 N/A ASN 399.A ND2 ASN 423.A OD1 no hydrogen 2.606 N/A ALA 400.A N ALA 396.A O no hydrogen 3.002 N/A ARG 401.A N MET 397.A O no hydrogen 2.958 N/A ILE 402.A N VAL 398.A O no hydrogen 2.905 N/A CYS 403.A N ASN 399.A O no hydrogen 2.892 N/A CYS 403.A SG GLU 174.A O no hydrogen 3.849 N/A LYS 404.A N ALA 400.A O no hydrogen 2.932 N/A LYS 404.A NZ GLU 269.A OE1 no hydrogen 2.844 N/A LYS 404.A NZ GLU 269.A OE2 no hydrogen 2.699 N/A LYS 404.A NZ GLU 379.A OE1 no hydrogen 3.090 N/A THR 405.A N ARG 401.A O no hydrogen 2.923 N/A THR 405.A OG1 LEU 378.A O no hydrogen 3.328 N/A THR 405.A OG1 ARG 401.A O no hydrogen 2.859 N/A VAL 406.A N ILE 402.A O no hydrogen 2.894 N/A ARG 407.A N CYS 403.A O no hydrogen 2.923 N/A ALA 408.A N LYS 404.A O no hydrogen 3.023 N/A SER 409.A N THR 405.A O no hydrogen 2.892 N/A LYS 412.A N ASP 382.A O no hydrogen 3.374 N/A GLY 414.A N PHE 384.A O no hydrogen 2.801 N/A TYR 415.A N LYS 427.A O no hydrogen 2.901 N/A TYR 415.A OH PRO 418.A O no hydrogen 2.671 N/A VAL 416.A N LEU 386.A O no hydrogen 3.002 N/A GLY 417.A N GLY 430.A O no hydrogen 3.320 N/A TYR 424.A OH ASN 399.A OD1 no hydrogen 2.403 N/A LYS 427.A N VAL 413.A O no hydrogen 2.890 N/A LEU 429.A N TYR 415.A O no hydrogen 2.998 N/A THR 431.A OG1 GLY 417.A O no hydrogen 3.147 N/A THR 431.A OG1 THR 431.A O no hydrogen 2.607 N/A THR 435.A N GLY 432.A O no hydrogen 3.203 N/A THR 435.A OG1 GLY 432.A O no hydrogen 3.374 N/A THR 435.A OG1 ASP 434.A OD1 no hydrogen 3.264 N/A LEU 436.A N PRO 433.A O no hydrogen 2.913 N/A LYS 437.A N PRO 433.A O no hydrogen 3.339 N/A GLU 438.A N ASP 434.A O no hydrogen 2.928 N/A ILE 439.A N THR 435.A O no hydrogen 2.895 N/A ALA 440.A N LEU 436.A O no hydrogen 2.903 N/A GLU 441.A N LYS 437.A O no hydrogen 3.034 N/A GLY 442.A N GLU 438.A O no hydrogen 3.280 N/A CYS 447.A N HIS 444.A O no hydrogen 2.845 N/A CYS 447.A SG ILE 439.A O no hydrogen 3.200 N/A THR 448.A N PRO 445.A O no hydrogen 3.335 N/A LEU 450.A N PHE 446.A O no hydrogen 2.909 N/A LYS 451.A N CYS 447.A O no hydrogen 2.886 N/A ASN 452.A N THR 448.A O no hydrogen 2.918 N/A ASN 455.A ND2 ASN 380.A O no hydrogen 3.076 N/A ALA 457.A N LEU 383.A O no hydrogen 2.716 N/A ILE 459.A N LEU 385.A O no hydrogen 2.954 N/A VAL 460.A N ASN 495.A O no hydrogen 2.821 N/A LEU 464.A N GLY 461.A O no hydrogen 3.168 N/A PHE 465.A N ALA 462.A O no hydrogen 3.202 N/A ARG 467.A NE ASP 469.A OD1 no hydrogen 3.048 N/A ARG 467.A NH1 THR 657.A O no hydrogen 3.118 N/A ARG 467.A NH1 PRO 658.A O no hydrogen 3.414 N/A ARG 467.A NH2 ASP 469.A OD2 no hydrogen 3.544 N/A ARG 467.A NH2 THR 657.A O no hydrogen 2.745 N/A ILE 473.A N ASP 469.A O no hydrogen 3.019 N/A LEU 474.A N LYS 470.A O no hydrogen 2.905 N/A SER 475.A N ASN 471.A O no hydrogen 2.885 N/A SER 475.A OG ASN 471.A O no hydrogen 3.285 N/A SER 475.A OG ALA 472.A O no hydrogen 2.537 N/A SER 476.A N ALA 472.A O no hydrogen 2.912 N/A SER 476.A OG ALA 472.A O no hydrogen 3.163 N/A VAL 477.A N ILE 473.A O no hydrogen 2.912 N/A GLU 478.A N LEU 474.A O no hydrogen 3.148 N/A SER 479.A N SER 475.A O no hydrogen 2.866 N/A SER 479.A OG SER 476.A O no hydrogen 2.684 N/A ILE 480.A N SER 476.A O no hydrogen 2.931 N/A ALA 481.A N VAL 477.A O no hydrogen 2.869 N/A GLN 482.A N GLU 478.A O no hydrogen 2.877 N/A ALA 483.A N SER 479.A O no hydrogen 2.908 N/A ASN 484.A N ILE 480.A O no hydrogen 3.043 N/A VAL 486.A N ALA 481.A O no hydrogen 3.353 N/A ARG 488.A N TRP 491.A O no hydrogen 2.582 N/A ARG 488.A NE ASP 490.A OD1 no hydrogen 3.112 N/A ARG 488.A NH1 LYS 454.A O no hydrogen 2.948 N/A ARG 488.A NH2 LYS 454.A O no hydrogen 3.105 N/A ARG 488.A NH2 ASN 455.A OD1 no hydrogen 3.027 N/A TRP 491.A N ARG 488.A O no hydrogen 3.080 N/A TRP 491.A NE1 PRO 456.A O no hydrogen 3.002 N/A ASN 495.A N ILE 458.A O no hydrogen 2.792 N/A PHE 496.A N LEU 370.A O no hydrogen 3.245 N/A LEU 497.A N VAL 460.A O no hydrogen 2.798 N/A ALA 502.A N GLN 330.A O no hydrogen 3.113 N/A GLN 503.A N TYR 500.A O no hydrogen 3.338 N/A ALA 506.A N ALA 502.A O no hydrogen 2.901 N/A LEU 507.A N GLN 503.A O no hydrogen 2.897 N/A ASP 508.A N ALA 504.A O no hydrogen 2.918 N/A LEU 509.A N ALA 505.A O no hydrogen 2.930 N/A GLY 510.A N LEU 507.A O no hydrogen 3.378 N/A LEU 511.A N ALA 506.A O no hydrogen 2.816 N/A ILE 512.A N GLY 510.A O no hydrogen 2.828 N/A GLN 513.A NE2 SER 515.A O no hydrogen 2.719 N/A SER 521.A OG LYS 517.A O no hydrogen 3.242 N/A LYS 523.A N GLU 323.A O no hydrogen 2.980 N/A PHE 524.A N GLU 323.A O no hydrogen 3.344 N/A VAL 525.A N PHE 543.A O no hydrogen 3.021 N/A TYR 526.A N VAL 325.A O no hydrogen 2.803 N/A LEU 527.A N VAL 545.A O no hydrogen 2.642 N/A MET 528.A N VAL 327.A O no hydrogen 2.849 N/A GLY 529.A N LEU 527.A O no hydrogen 2.859 N/A LYS 537.A N ASN 534.A O no hydrogen 3.214 N/A LYS 537.A NZ GLU 520.A OE2 no hydrogen 2.753 N/A ILE 538.A N VAL 535.A O no hydrogen 3.072 N/A ALA 542.A N PRO 539.A O no hydrogen 3.262 N/A PHE 543.A N LYS 523.A O no hydrogen 2.717 N/A VAL 545.A N VAL 525.A O no hydrogen 2.782 N/A TYR 546.A N VAL 560.A O no hydrogen 3.029 N/A TYR 546.A OH HIS 550.A O no hydrogen 2.999 N/A GLN 547.A N LEU 527.A O no hydrogen 2.845 N/A GLN 547.A NE2 ASP 597.A OD1 no hydrogen 2.337 N/A GLY 548.A N LEU 562.A O no hydrogen 3.249 N/A HIS 549.A ND1 HIS 550.A ND1 no hydrogen 2.960 N/A HIS 550.A ND1 HIS 549.A ND1 no hydrogen 2.960 N/A HIS 550.A NE2 GLY 282.A O no hydrogen 2.318 N/A GLY 551.A N GLN 286.A O no hydrogen 3.358 N/A VAL 555.A N ASP 552.A O no hydrogen 2.963 N/A ARG 557.A N ALA 554.A O no hydrogen 3.370 N/A ARG 557.A NH1 ARG 557.A O no hydrogen 2.843 N/A ARG 557.A NH2 PRO 539.A O no hydrogen 2.917 N/A ARG 557.A NH2 ALA 542.A O no hydrogen 3.130 N/A ALA 558.A N VAL 555.A O no hydrogen 3.262 N/A ASN 559.A N VAL 544.A O no hydrogen 2.668 N/A ILE 561.A N MET 292.A O no hydrogen 2.813 N/A LEU 562.A N TYR 546.A O no hydrogen 3.039 N/A SER 565.A OG ASP 596.A OD1 no hydrogen 2.701 N/A ALA 566.A N GLU 569.A OE1 no hydrogen 3.178 N/A GLU 569.A N ALA 566.A O no hydrogen 3.171 N/A LYS 570.A NZ TYR 574.A OH no hydrogen 2.744 N/A GLY 572.A N THR 584.A OG1 no hydrogen 3.392 N/A THR 573.A N GLU 335.A OE1 no hydrogen 3.442 N/A TYR 574.A N GLN 582.A O no hydrogen 2.886 N/A TYR 574.A OH LEU 331.A O no hydrogen 2.704 N/A ASN 576.A N PHE 580.A O no hydrogen 2.989 N/A THR 577.A N ALA 242.A O no hydrogen 3.000 N/A GLY 579.A N ASN 576.A O no hydrogen 3.350 N/A THR 581.A OG1 ASN 630.A O no hydrogen 3.290 N/A GLN 582.A N TYR 574.A O no hydrogen 2.927 N/A GLN 582.A NE2 GLY 244.A O no hydrogen 2.803 N/A THR 584.A N GLY 572.A O no hydrogen 2.952 N/A THR 584.A OG1 LYS 570.A O no hydrogen 2.708 N/A ALA 587.A N THR 568.A O no hydrogen 3.013 N/A VAL 588.A N THR 568.A O no hydrogen 3.306 N/A ASP 593.A N SER 289.A O no hydrogen 2.767 N/A ARG 595.A NH1 ASP 593.A OD1 no hydrogen 2.602 N/A ARG 595.A NH2 ASP 593.A OD1 no hydrogen 2.825 N/A LYS 599.A NZ ASP 596.A OD2 no hydrogen 3.351 N/A ILE 600.A N ASP 596.A O no hydrogen 3.000 N/A VAL 601.A N ASP 597.A O no hydrogen 2.952 N/A ARG 602.A N TRP 598.A O no hydrogen 2.901 N/A ARG 602.A NE TYR 614.A O no hydrogen 3.049 N/A ARG 602.A NH1 ARG 602.A O no hydrogen 3.133 N/A ARG 602.A NH2 LEU 612.A O no hydrogen 2.800 N/A ALA 603.A N LYS 599.A O no hydrogen 2.897 N/A LEU 604.A N ILE 600.A O no hydrogen 2.979 N/A SER 605.A N VAL 601.A O no hydrogen 2.890 N/A SER 605.A OG VAL 601.A O no hydrogen 2.805 N/A GLU 606.A N ARG 602.A O no hydrogen 2.939 N/A VAL 607.A N ALA 603.A O no hydrogen 2.923 N/A SER 608.A N LEU 604.A O no hydrogen 2.896 N/A SER 608.A OG LEU 604.A O no hydrogen 2.766 N/A GLY 609.A N GLU 606.A O no hydrogen 3.285 N/A VAL 610.A N SER 605.A O no hydrogen 2.875 N/A SER 616.A OG GLU 618.A OE2 no hydrogen 2.751 N/A GLY 619.A N SER 616.A OG no hydrogen 3.407 N/A VAL 620.A N SER 616.A O no hydrogen 3.193 N/A ARG 621.A N ILE 617.A O no hydrogen 3.334 N/A ARG 621.A NE GLU 335.A OE2 no hydrogen 2.887 N/A ARG 621.A NH2 GLU 335.A OE2 no hydrogen 2.740 N/A SER 622.A N GLU 618.A O no hydrogen 3.290 N/A SER 622.A OG GLU 618.A O no hydrogen 3.432 N/A ARG 623.A N GLY 619.A O no hydrogen 3.247 N/A ARG 623.A NE ASP 342.A OD2 no hydrogen 2.779 N/A ARG 623.A NH1 ARG 623.A O no hydrogen 3.466 N/A ILE 624.A N VAL 620.A O no hydrogen 2.860 N/A LYS 625.A N ARG 621.A O no hydrogen 3.031 N/A SER 626.A N ARG 623.A O no hydrogen 3.146 N/A VAL 627.A N ILE 624.A O no hydrogen 2.811 N/A ALA 628.A N ILE 624.A O no hydrogen 2.818 N/A LEU 631.A N ALA 628.A O no hydrogen 2.995 N/A ASP 635.A N THR 581.A O no hydrogen 3.084 N/A ARG 637.A NH2 GLU 578.A OE2 no hydrogen 2.670 N/A LYS 647.A NZ GLU 478.A OE2 no hydrogen 3.234 N/A CYS 650.A SG ASN 471.A O no hydrogen 3.801 N/A SER 655.A N ASP 469.A OD2 no hydrogen 2.782 N/A SER 655.A OG ASP 469.A OD2 no hydrogen 2.735 N/A THR 661.A OG1 GLN 390.A OE1 no hydrogen 3.387 N/A THR 661.A OG1 VAL 663.A O no hydrogen 3.270 N/A TYR 667.A N ASN 665.A OD1 no hydrogen 3.047 N/A MET 668.A N ASN 665.A O no hydrogen 3.239 N/A SER 671.A OG ASP 531.A OD2 no hydrogen 3.278 N/A THR 673.A N ASN 670.A OD1 no hydrogen 3.182 N/A THR 673.A OG1 ASN 670.A O no hydrogen 3.066 N/A THR 673.A OG1 ASN 670.A OD1 no hydrogen 2.397 N/A ARG 674.A N ASN 670.A O no hydrogen 3.060 N/A ARG 674.A NH1 ASP 531.A OD2 no hydrogen 2.901 N/A ARG 674.A NH2 THR 669.A O no hydrogen 2.825 N/A ALA 675.A N SER 671.A O no hydrogen 3.124 N/A ALA 675.A N ILE 672.A O no hydrogen 3.273 N/A SER 676.A N THR 673.A O no hydrogen 3.129 N/A LYS 677.A N ASP 281.A OD1 no hydrogen 3.334 N/A ILE 678.A N SER 676.A OG no hydrogen 3.123 N/A CYS 682.A N ILE 678.A O no hydrogen 2.912 N/A CYS 682.A SG ILE 678.A O no hydrogen 3.096 N/A SER 683.A N MET 679.A O no hydrogen 3.059 N/A SER 683.A OG MET 679.A O no hydrogen 2.996 N/A SER 683.A OG ALA 680.A O no hydrogen 3.173 N/A LEU 686.A N CYS 682.A O no hydrogen 3.170 N/A LYS 688.A NZ GLU 421.A OE2 no hydrogen 3.510 N/A