Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4w5n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 7.A N THR 712.A O no hydrogen 2.848 N/A ARG 7.A NH1 ASP 715.A O no hydrogen 2.769 N/A ARG 7.A NH2 HIS 710.A O no hydrogen 2.760 N/A ARG 7.A NH2 ASP 715.A OD1 no hydrogen 2.706 N/A THR 12.A N ASP 745.A OD2 no hydrogen 2.653 N/A THR 12.A OG1 ASP 745.A OD2 no hydrogen 3.149 N/A SER 13.A N ASP 745.A OD1 no hydrogen 3.026 N/A ARG 15.A N VAL 383.A O no hydrogen 3.229 N/A ARG 15.A NH1 GLU 690.A OE1 no hydrogen 3.514 N/A ARG 15.A NH1 GLU 690.A OE2 no hydrogen 3.104 N/A ARG 15.A NH2 GLU 690.A OE1 no hydrogen 3.223 N/A ILE 17.A N GLY 381.A O no hydrogen 2.834 N/A LEU 19.A N VAL 379.A O no hydrogen 2.918 N/A GLN 20.A N PHE 684.A O no hydrogen 2.934 N/A ALA 21.A N THR 377.A O no hydrogen 3.049 N/A ASN 22.A N ARG 682.A O no hydrogen 3.249 N/A ASN 22.A ND2 HIS 680.A O no hydrogen 3.054 N/A PHE 23.A N ALA 21.A O no hydrogen 2.425 N/A PHE 24.A N LEU 190.A O no hydrogen 3.169 N/A MET 26.A N MET 188.A O no hydrogen 2.846 N/A ASP 27.A N MET 371.A O no hydrogen 2.720 N/A ILE 33.A N VAL 117.A O no hydrogen 2.912 N/A TYR 34.A N THR 81.A O no hydrogen 3.081 N/A HIS 35.A N SER 115.A O no hydrogen 3.268 N/A HIS 35.A NE2 ASN 78.A OD1 no hydrogen 2.885 N/A TYR 36.A N LEU 79.A O no hydrogen 2.875 N/A GLU 37.A N LYS 112.A O no hydrogen 2.721 N/A LEU 38.A N LYS 77.A O no hydrogen 3.366 N/A ASP 39.A N SER 110.A O no hydrogen 3.187 N/A LYS 41.A N LYS 108.A O no hydrogen 2.754 N/A CYS 45.A SG PRO 42.A O no hydrogen 3.634 N/A ASN 50.A N PRO 46.A O no hydrogen 3.187 N/A ASN 50.A ND2 CYS 45.A O no hydrogen 3.005 N/A ASN 50.A ND2 GLY 75.A O no hydrogen 3.046 N/A ARG 51.A N ARG 47.A O no hydrogen 2.806 N/A GLU 52.A N ARG 48.A O no hydrogen 3.229 N/A ILE 53.A N VAL 49.A O no hydrogen 2.965 N/A VAL 54.A N ASN 50.A O no hydrogen 2.846 N/A GLU 55.A N ARG 51.A O no hydrogen 2.897 N/A HIS 56.A N GLU 52.A O no hydrogen 2.874 N/A MET 57.A N ILE 53.A O no hydrogen 2.796 N/A VAL 58.A N VAL 54.A O no hydrogen 2.924 N/A GLN 59.A N GLU 55.A O no hydrogen 3.336 N/A HIS 60.A N HIS 56.A O no hydrogen 2.906 N/A PHE 61.A N MET 57.A O no hydrogen 3.177 N/A THR 63.A OG1 GLN 64.A OE1 no hydrogen 2.978 N/A GLN 64.A N GLN 64.A OE1 no hydrogen 2.596 N/A ILE 65.A N PHE 61.A O no hydrogen 3.284 N/A PHE 66.A N PHE 61.A O no hydrogen 3.275 N/A ARG 69.A NH1 PHE 66.A O no hydrogen 2.324 N/A LYS 70.A N GLU 367.A OE2 no hydrogen 2.873 N/A VAL 72.A N TYR 80.A O no hydrogen 3.143 N/A PHE 73.A N HIS 143.A ND1 no hydrogen 2.788 N/A ASP 74.A N ASN 78.A O no hydrogen 2.825 N/A LYS 77.A N ASP 74.A OD2 no hydrogen 3.430 N/A LEU 79.A N TYR 36.A O no hydrogen 3.063 N/A TYR 80.A N VAL 72.A O no hydrogen 3.172 N/A THR 81.A N TYR 34.A O no hydrogen 2.947 N/A THR 81.A OG1 MET 83.A O no hydrogen 2.867 N/A LEU 85.A N TYR 36.A OH no hydrogen 2.927 N/A VAL 92.A N ILE 111.A O no hydrogen 3.051 N/A LEU 94.A N VAL 109.A O no hydrogen 2.484 N/A VAL 96.A N PHE 107.A O no hydrogen 2.755 N/A LEU 98.A N ARG 105.A O no hydrogen 2.830 N/A LYS 108.A N LYS 41.A O no hydrogen 2.952 N/A VAL 109.A N LEU 94.A O no hydrogen 2.812 N/A SER 110.A N ASP 39.A O no hydrogen 3.223 N/A SER 110.A OG ASP 39.A O no hydrogen 3.262 N/A ILE 111.A N VAL 92.A O no hydrogen 2.780 N/A LYS 112.A N GLU 37.A O no hydrogen 3.277 N/A VAL 114.A N HIS 35.A O no hydrogen 2.934 N/A GLN 120.A NE2 GLN 120.A O no hydrogen 3.081 N/A GLN 120.A NE2 ASP 124.A OD1 no hydrogen 3.464 N/A ALA 121.A N SER 118.A OG no hydrogen 3.317 N/A LEU 122.A N LEU 119.A O no hydrogen 3.052 N/A HIS 123.A N LEU 119.A O no hydrogen 3.191 N/A ASP 124.A N GLN 120.A O no hydrogen 3.282 N/A ALA 125.A N ALA 121.A O no hydrogen 3.260 N/A LEU 126.A N LEU 122.A O no hydrogen 3.147 N/A LEU 126.A N HIS 123.A O no hydrogen 3.109 N/A SER 127.A N ASP 124.A O no hydrogen 3.018 N/A SER 127.A OG HIS 123.A O no hydrogen 3.495 N/A SER 127.A OG ASP 124.A O no hydrogen 2.563 N/A ILE 134.A N PRO 130.A O no hydrogen 3.302 N/A GLN 135.A N PHE 131.A O no hydrogen 2.833 N/A ALA 136.A N GLU 132.A O no hydrogen 3.231 N/A LEU 137.A N THR 133.A O no hydrogen 3.336 N/A ASP 138.A N ILE 134.A O no hydrogen 3.237 N/A VAL 139.A N GLN 135.A O no hydrogen 3.328 N/A VAL 140.A N ALA 136.A O no hydrogen 3.151 N/A MET 141.A N LEU 137.A O no hydrogen 3.105 N/A ARG 142.A N ASP 138.A O no hydrogen 3.067 N/A ARG 142.A NH1 ASP 138.A OD2 no hydrogen 1.982 N/A ARG 142.A NH2 GLN 179.A O no hydrogen 2.430 N/A SER 146.A N ARG 142.A O no hydrogen 3.292 N/A SER 146.A OG ARG 142.A O no hydrogen 2.817 N/A SER 146.A OG HIS 143.A O no hydrogen 2.491 N/A MET 147.A N LEU 144.A O no hydrogen 3.067 N/A ARG 148.A N LEU 144.A O no hydrogen 3.326 N/A ARG 148.A NH2 TYR 149.A OH no hydrogen 2.553 N/A TYR 149.A N PRO 145.A O no hydrogen 2.826 N/A THR 150.A N PHE 157.A O no hydrogen 2.862 N/A THR 150.A OG1 PHE 157.A O no hydrogen 3.404 N/A VAL 152.A N SER 155.A O no hydrogen 2.866 N/A SER 155.A N VAL 152.A O no hydrogen 2.945 N/A PHE 156.A N PHE 177.A O no hydrogen 2.900 N/A PHE 157.A N THR 150.A O no hydrogen 3.098 N/A THR 158.A N PHE 175.A O no hydrogen 3.532 N/A SER 164.A OG SER 164.A O no hydrogen 2.390 N/A LEU 167.A N ARG 171.A O no hydrogen 2.974 N/A GLY 170.A N GLU 211.A OE1 no hydrogen 2.901 N/A ARG 171.A N GLY 168.A O no hydrogen 3.230 N/A ARG 171.A NH1 LYS 325.A O no hydrogen 3.301 N/A ARG 171.A NH2 GLU 235.A OE1 no hydrogen 3.097 N/A ARG 171.A NH2 GLU 235.A OE2 no hydrogen 3.153 N/A GLU 172.A N PHE 199.A O no hydrogen 2.561 N/A VAL 173.A N ASN 165.A O no hydrogen 2.752 N/A TRP 174.A N THR 197.A O no hydrogen 3.037 N/A TRP 174.A NE1 GLU 172.A OE2 no hydrogen 3.105 N/A GLY 176.A N SER 195.A O no hydrogen 2.845 N/A PHE 177.A N PHE 156.A O no hydrogen 3.081 N/A HIS 178.A N ASP 193.A O no hydrogen 2.768 N/A HIS 178.A NE2 SER 180.A OG no hydrogen 2.722 N/A GLN 179.A N ARG 154.A O no hydrogen 3.139 N/A SER 180.A N ASN 191.A O no hydrogen 3.103 N/A SER 180.A OG HIS 178.A NE2 no hydrogen 2.722 N/A ARG 182.A N MET 189.A O no hydrogen 2.758 N/A SER 184.A OG LEU 185.A O no hydrogen 3.554 N/A SER 184.A OG LYS 187.A O no hydrogen 2.870 N/A SER 184.A OG LYS 707.A O no hydrogen 3.316 N/A TRP 186.A N LEU 126.A O no hydrogen 2.905 N/A LYS 187.A N LEU 185.A O no hydrogen 2.655 N/A MET 189.A N ARG 182.A O no hydrogen 2.751 N/A LEU 190.A N PHE 24.A O no hydrogen 2.867 N/A ASN 191.A N SER 180.A O no hydrogen 2.854 N/A ASN 191.A ND2 HIS 680.A O no hydrogen 3.361 N/A ILE 192.A N ASN 22.A O no hydrogen 3.281 N/A ASP 193.A N HIS 178.A O no hydrogen 3.310 N/A SER 195.A N GLY 176.A O no hydrogen 2.928 N/A THR 197.A N TRP 174.A O no hydrogen 3.110 N/A PHE 199.A N GLU 172.A O no hydrogen 2.754 N/A TYR 200.A N GLN 321.A O no hydrogen 2.850 N/A LYS 201.A N GLY 170.A O no hydrogen 2.665 N/A VAL 205.A N CYS 315.A O no hydrogen 3.001 N/A PHE 208.A N PRO 204.A O no hydrogen 2.941 N/A VAL 209.A N VAL 205.A O no hydrogen 2.746 N/A CYS 210.A N ILE 206.A O no hydrogen 3.425 N/A CYS 210.A SG ILE 206.A O no hydrogen 3.410 N/A GLU 211.A N GLU 207.A O no hydrogen 3.269 N/A VAL 212.A N PHE 208.A O no hydrogen 3.181 N/A LEU 213.A N VAL 209.A O no hydrogen 2.943 N/A PHE 215.A N CYS 210.A O no hydrogen 2.752 N/A LYS 216.A N GLU 220.A OE2 no hydrogen 2.456 N/A SER 217.A OG GLU 219.A OE2 no hydrogen 2.718 N/A GLU 219.A N GLU 219.A OE2 no hydrogen 2.501 N/A THR 225.A OG1 SER 227.A OG no hydrogen 2.466 N/A SER 227.A OG THR 225.A OG1 no hydrogen 2.466 N/A GLN 228.A N THR 225.A OG1 no hydrogen 3.223 N/A ARG 229.A N THR 225.A O no hydrogen 3.151 N/A THR 233.A N ARG 229.A O no hydrogen 2.830 N/A THR 233.A OG1 ARG 229.A O no hydrogen 2.878 N/A LYS 234.A N VAL 230.A O no hydrogen 3.052 N/A GLU 235.A N PHE 232.A O no hydrogen 3.259 N/A ILE 236.A N THR 233.A O no hydrogen 3.299 N/A LYS 237.A N THR 233.A O no hydrogen 2.896 N/A GLY 238.A N VAL 252.A O no hydrogen 3.039 N/A LEU 239.A N ILE 236.A O no hydrogen 3.049 N/A LYS 240.A N GLN 321.A OE1 no hydrogen 2.687 N/A VAL 241.A N TYR 250.A O no hydrogen 2.764 N/A GLU 242.A N ASN 316.A O no hydrogen 3.030 N/A THR 244.A N VAL 314.A O no hydrogen 3.121 N/A THR 244.A OG1 VAL 314.A O no hydrogen 3.329 N/A ARG 248.A NE GLU 101.A OE1 no hydrogen 3.428 N/A TYR 250.A N VAL 241.A O no hydrogen 2.672 N/A ARG 251.A NH1 GLY 238.A O no hydrogen 3.524 N/A VAL 252.A N LEU 239.A O no hydrogen 2.890 N/A CYS 253.A N GLN 300.A O no hydrogen 2.975 N/A CYS 253.A SG GLN 300.A O no hydrogen 2.980 N/A CYS 253.A SG GLY 302.A O no hydrogen 3.972 N/A CYS 253.A SG GLN 303.A O no hydrogen 3.955 N/A ASN 254.A N GLN 300.A O no hydrogen 3.515 N/A THR 256.A N CYS 298.A O no hydrogen 3.117 N/A THR 256.A OG1 ARG 258.A O no hydrogen 3.068 N/A THR 256.A OG1 CYS 298.A O no hydrogen 3.361 N/A ARG 258.A NE HIS 262.A O no hydrogen 3.239 N/A ARG 258.A NH2 HIS 262.A O no hydrogen 3.375 N/A ALA 260.A N LEU 296.A O no hydrogen 3.163 N/A SER 261.A N PRO 294.A O no hydrogen 3.196 N/A SER 261.A OG HIS 262.A ND1 no hydrogen 2.600 N/A HIS 262.A N PRO 259.A O no hydrogen 3.028 N/A HIS 262.A ND1 SER 261.A OG no hydrogen 2.600 N/A GLN 263.A N PRO 259.A O no hydrogen 2.728 N/A GLN 263.A NE2 THR 264.A O no hydrogen 3.114 N/A THR 264.A OG1 GLU 276.A OE1 no hydrogen 3.132 N/A PHE 265.A N CYS 277.A O no hydrogen 2.898 N/A LEU 267.A N VAL 275.A O no hydrogen 2.603 N/A GLN 268.A NE2 GLY 272.A O no hydrogen 2.691 N/A GLN 269.A N GLN 273.A O no hydrogen 2.819 N/A GLY 272.A N GLN 269.A O no hydrogen 3.310 N/A VAL 275.A N LEU 267.A O no hydrogen 2.744 N/A CYS 277.A N PHE 265.A O no hydrogen 2.920 N/A CYS 277.A SG THR 278.A O no hydrogen 3.358 N/A VAL 279.A N GLN 263.A O no hydrogen 2.897 N/A ALA 280.A N ALA 260.A O no hydrogen 3.007 N/A GLN 281.A N THR 278.A OG1 no hydrogen 2.914 N/A GLN 281.A NE2 ASP 285.A OD1 no hydrogen 3.269 N/A TYR 282.A N THR 278.A O no hydrogen 2.989 N/A PHE 283.A N VAL 279.A O no hydrogen 3.252 N/A LYS 284.A N GLN 281.A O no hydrogen 3.051 N/A ASP 285.A N GLN 281.A O no hydrogen 2.815 N/A ARG 286.A N TYR 282.A O no hydrogen 2.718 N/A ARG 286.A NH1 ARG 286.A O no hydrogen 2.916 N/A LYS 288.A NZ ASP 285.A O no hydrogen 3.307 N/A LEU 289.A N PHE 283.A O no hydrogen 2.637 N/A ARG 292.A N GLU 313.A OE1 no hydrogen 2.868 N/A ARG 292.A NE TYR 293.A OH no hydrogen 3.322 N/A TYR 293.A N GLU 313.A OE2 no hydrogen 2.593 N/A LEU 296.A N TYR 293.A O no hydrogen 3.267 N/A CYS 298.A N THR 256.A OG1 no hydrogen 3.036 N/A LEU 299.A N LEU 310.A O no hydrogen 2.796 N/A GLN 300.A N ASN 254.A O no hydrogen 2.869 N/A VAL 301.A N THR 308.A O no hydrogen 3.107 N/A THR 308.A OG1 VAL 301.A O no hydrogen 2.235 N/A THR 308.A OG1 HIS 307.A O no hydrogen 2.200 N/A LEU 310.A N LEU 299.A O no hydrogen 2.689 N/A VAL 314.A N PRO 311.A O no hydrogen 3.291 N/A CYS 315.A N LEU 312.A O no hydrogen 3.396 N/A CYS 315.A SG PRO 311.A O no hydrogen 3.539 N/A ASN 316.A N GLU 242.A O no hydrogen 3.009 N/A ILE 317.A N GLN 203.A O no hydrogen 2.858 N/A VAL 318.A N LYS 240.A O no hydrogen 3.181 N/A GLN 321.A NE2 LYS 240.A O no hydrogen 3.037 N/A GLN 321.A NE2 VAL 318.A O no hydrogen 2.559 N/A CYS 323.A N ALA 198.A O no hydrogen 2.882 N/A CYS 323.A SG TYR 200.A OH no hydrogen 3.593 N/A CYS 323.A SG LYS 325.A O no hydrogen 3.423 N/A THR 328.A N GLN 331.A OE1 no hydrogen 3.234 N/A GLN 331.A N THR 328.A OG1 no hydrogen 3.165 N/A GLN 331.A NE2 LEU 167.A O no hydrogen 2.809 N/A THR 332.A N THR 328.A O no hydrogen 3.026 N/A THR 332.A OG1 THR 328.A O no hydrogen 3.354 N/A THR 332.A OG1 ASP 329.A O no hydrogen 2.718 N/A SER 333.A OG ASP 329.A O no hydrogen 2.670 N/A THR 334.A N ASN 330.A O no hydrogen 2.769 N/A MET 335.A N GLN 331.A O no hydrogen 3.084 N/A ILE 336.A N THR 332.A O no hydrogen 2.925 N/A ARG 337.A N SER 333.A O no hydrogen 2.875 N/A ALA 338.A N THR 334.A O no hydrogen 3.185 N/A THR 339.A N MET 335.A O no hydrogen 3.039 N/A THR 339.A OG1 MET 335.A O no hydrogen 3.319 N/A THR 339.A OG1 ILE 336.A O no hydrogen 2.983 N/A ALA 340.A N ILE 336.A O no hydrogen 2.958 N/A ALA 343.A N SER 695.A O no hydrogen 3.179 N/A ARG 346.A N SER 342.A O no hydrogen 2.863 N/A GLN 347.A N ALA 343.A O no hydrogen 3.162 N/A GLU 348.A N PRO 344.A O no hydrogen 3.455 N/A GLU 349.A N ASP 345.A O no hydrogen 3.290 N/A ILE 350.A N ARG 346.A O no hydrogen 3.046 N/A SER 351.A N GLN 347.A O no hydrogen 3.187 N/A SER 351.A OG GLN 347.A O no hydrogen 3.170 N/A LYS 352.A N GLU 348.A O no hydrogen 2.685 N/A LEU 353.A N GLU 349.A O no hydrogen 2.945 N/A MET 354.A N ILE 350.A O no hydrogen 2.635 N/A ARG 355.A N SER 351.A O no hydrogen 2.935 N/A SER 356.A N LYS 352.A O no hydrogen 3.186 N/A SER 356.A OG LEU 353.A O no hydrogen 3.111 N/A ALA 357.A N LEU 353.A O no hydrogen 2.868 N/A ASP 358.A N MET 354.A O no hydrogen 3.242 N/A ASN 360.A ND2 VAL 372.A O no hydrogen 2.948 N/A THR 361.A N ASP 358.A O no hydrogen 3.134 N/A THR 361.A OG1 ASP 358.A O no hydrogen 2.848 N/A ASP 362.A N PHE 359.A O no hydrogen 2.865 N/A TYR 364.A N ASP 362.A OD1 no hydrogen 2.798 N/A VAL 365.A N ASP 362.A OD1 no hydrogen 3.074 N/A ARG 366.A N ASP 362.A O no hydrogen 2.908 N/A ARG 366.A NH1 ASN 360.A O no hydrogen 3.390 N/A GLU 367.A N PRO 363.A O no hydrogen 3.277 N/A PHE 368.A N TYR 364.A O no hydrogen 3.272 N/A GLY 369.A N ARG 366.A O no hydrogen 3.076 N/A ILE 370.A N VAL 365.A O no hydrogen 2.818 N/A MET 371.A N ASP 27.A O no hydrogen 3.147 N/A VAL 372.A N ASN 360.A OD1 no hydrogen 2.870 N/A LYS 373.A N GLU 25.A O no hydrogen 3.104 N/A THR 377.A N PHE 23.A O no hydrogen 3.069 N/A THR 377.A OG1 PHE 23.A O no hydrogen 2.336 N/A VAL 379.A N LEU 19.A O no hydrogen 2.873 N/A GLY 381.A N ILE 17.A O no hydrogen 3.038 N/A ARG 382.A N THR 703.A O no hydrogen 3.022 N/A ARG 382.A NE SER 13.A O no hydrogen 2.977 N/A ARG 382.A NH2 ASP 745.A OD1 no hydrogen 3.165 N/A ARG 382.A NH2 GLN 748.A OE1 no hydrogen 2.801 N/A VAL 383.A N ARG 15.A O no hydrogen 3.006 N/A LEU 384.A N GLY 701.A O no hydrogen 2.900 N/A ILE 389.A N ALA 399.A O no hydrogen 3.030 N/A LEU 390.A N ILE 548.A O no hydrogen 2.712 N/A TYR 391.A N ALA 397.A O no hydrogen 3.245 N/A GLY 392.A N GLN 412.A O no hydrogen 2.771 N/A ASN 395.A N ASN 395.A OD1 no hydrogen 2.538 N/A ASN 395.A ND2 ASN 410.A O no hydrogen 3.569 N/A ALA 399.A N ILE 389.A O no hydrogen 2.977 N/A VAL 402.A N VAL 405.A O no hydrogen 2.735 N/A VAL 405.A N VAL 402.A O no hydrogen 3.333 N/A TRP 406.A N THR 762.A O no hydrogen 3.063 N/A TRP 406.A NE1 TYR 391.A OH no hydrogen 3.288 N/A LYS 411.A N MET 408.A O no hydrogen 3.015 N/A LYS 411.A NZ ARG 409.A O no hydrogen 3.108 N/A PHE 413.A N ALA 452.A O no hydrogen 2.838 N/A HIS 414.A N ASN 546.A O no hydrogen 3.046 N/A THR 415.A N VAL 545.A O no hydrogen 2.951 N/A THR 415.A OG1 THR 415.A O no hydrogen 2.521 N/A ILE 417.A N ASN 539.A OD1 no hydrogen 3.346 N/A ILE 419.A N PRO 455.A O no hydrogen 3.220 N/A LYS 420.A N GLN 487.A OE1 no hydrogen 2.639 N/A VAL 421.A N GLN 487.A OE1 no hydrogen 3.252 N/A ALA 423.A N LEU 488.A O no hydrogen 2.893 N/A ILE 424.A N PHE 462.A O no hydrogen 2.945 N/A ALA 425.A N VAL 490.A O no hydrogen 3.031 N/A CYS 426.A N LYS 464.A O no hydrogen 3.096 N/A CYS 426.A SG ALA 428.A O no hydrogen 3.275 N/A PHE 427.A N ILE 492.A O no hydrogen 2.706 N/A GLN 432.A N PRO 429.A O no hydrogen 3.054 N/A CYS 433.A N PRO 429.A O no hydrogen 2.886 N/A THR 434.A N HIS 437.A ND1 no hydrogen 3.174 N/A HIS 437.A N THR 434.A OG1 no hydrogen 3.225 N/A LEU 438.A N THR 434.A O no hydrogen 3.018 N/A LYS 439.A N GLU 435.A O no hydrogen 2.976 N/A SER 440.A N VAL 436.A O no hydrogen 2.912 N/A SER 440.A OG VAL 436.A O no hydrogen 3.068 N/A SER 440.A OG HIS 437.A O no hydrogen 2.257 N/A PHE 441.A N HIS 437.A O no hydrogen 2.886 N/A THR 442.A N LEU 438.A O no hydrogen 2.841 N/A THR 442.A OG1 LEU 438.A O no hydrogen 2.958 N/A THR 442.A OG1 LYS 439.A O no hydrogen 2.291 N/A GLU 443.A N LYS 439.A O no hydrogen 2.970 N/A GLN 444.A N SER 440.A O no hydrogen 2.783 N/A LEU 445.A N PHE 441.A O no hydrogen 2.562 N/A ARG 446.A N THR 442.A O no hydrogen 2.752 N/A ARG 446.A NH2 GLU 443.A OE1 no hydrogen 3.302 N/A LYS 447.A N GLU 443.A O no hydrogen 3.390 N/A LYS 447.A NZ ASP 451.A OD2 no hydrogen 2.829 N/A ILE 448.A N GLN 444.A O no hydrogen 3.437 N/A SER 449.A N LEU 445.A O no hydrogen 3.058 N/A SER 449.A OG LEU 445.A O no hydrogen 3.082 N/A ARG 450.A N ARG 446.A O no hydrogen 2.893 N/A ALA 452.A N SER 449.A O no hydrogen 3.175 N/A GLY 453.A N ARG 450.A O no hydrogen 3.416 N/A MET 454.A N SER 449.A O no hydrogen 3.217 N/A GLN 457.A N ILE 419.A O no hydrogen 2.680 N/A GLY 458.A N ILE 456.A O no hydrogen 3.116 N/A CYS 461.A N TRP 422.A O no hydrogen 2.951 N/A CYS 461.A SG TRP 422.A O no hydrogen 3.320 N/A LYS 464.A N ILE 424.A O no hydrogen 3.203 N/A TYR 465.A OH CYS 433.A O no hydrogen 3.364 N/A ALA 466.A N CYS 426.A O no hydrogen 3.092 N/A SER 471.A N GLY 468.A O no hydrogen 3.246 N/A SER 471.A OG GLN 467.A O no hydrogen 2.961 N/A VAL 472.A N ALA 469.A O no hydrogen 3.450 N/A PHE 476.A N VAL 472.A O no hydrogen 2.812 N/A ARG 477.A N GLU 473.A O no hydrogen 2.582 N/A HIS 478.A N PRO 474.A O no hydrogen 3.406 N/A LEU 479.A N MET 475.A O no hydrogen 2.894 N/A LYS 480.A N PHE 476.A O no hydrogen 3.215 N/A LYS 480.A NZ LEU 511.A O no hydrogen 3.331 N/A ASN 481.A N ARG 477.A O no hydrogen 3.022 N/A THR 482.A N HIS 478.A O no hydrogen 2.938 N/A THR 482.A OG1 HIS 478.A O no hydrogen 2.379 N/A TYR 483.A N LEU 479.A O no hydrogen 3.013 N/A GLN 487.A N VAL 421.A O no hydrogen 3.032 N/A GLN 487.A NE2 GLU 418.A O no hydrogen 3.462 N/A VAL 489.A N ALA 514.A O no hydrogen 3.141 N/A VAL 490.A N ALA 423.A O no hydrogen 2.838 N/A VAL 491.A N GLN 516.A O no hydrogen 2.995 N/A ILE 492.A N ALA 425.A O no hydrogen 2.713 N/A LEU 493.A N VAL 518.A O no hydrogen 2.992 N/A VAL 499.A N THR 497.A OG1 no hydrogen 3.157 N/A TYR 500.A N THR 497.A O no hydrogen 3.401 N/A GLU 502.A N PRO 498.A O no hydrogen 3.346 N/A VAL 503.A N VAL 499.A O no hydrogen 2.682 N/A LYS 504.A N TYR 500.A O no hydrogen 2.960 N/A LYS 504.A NZ THR 515.A O no hydrogen 2.680 N/A ARG 505.A N ALA 501.A O no hydrogen 3.025 N/A ARG 505.A NH2 THR 509.A OG1 no hydrogen 2.652 N/A VAL 506.A N GLU 502.A O no hydrogen 2.918 N/A GLY 507.A N VAL 503.A O no hydrogen 3.017 N/A ASP 508.A N LYS 504.A O no hydrogen 3.186 N/A THR 509.A N ARG 505.A O no hydrogen 2.904 N/A THR 509.A OG1 ARG 505.A O no hydrogen 2.336 N/A VAL 510.A N VAL 506.A O no hydrogen 3.040 N/A LEU 511.A N VAL 506.A O no hydrogen 2.948 N/A MET 513.A N GLY 507.A O no hydrogen 2.829 N/A GLN 516.A N VAL 489.A O no hydrogen 3.077 N/A GLN 516.A NE2 CYS 517.A O no hydrogen 2.895 N/A VAL 518.A N VAL 491.A O no hydrogen 3.082 N/A ASN 522.A N GLN 519.A O no hydrogen 3.227 N/A VAL 523.A N MET 520.A O no hydrogen 3.031 N/A GLN 524.A N MET 520.A O no hydrogen 3.042 N/A GLN 524.A NE2 GLN 432.A O no hydrogen 3.666 N/A ARG 525.A N LYS 521.A O no hydrogen 3.208 N/A THR 527.A OG1 THR 530.A OG1 no hydrogen 2.787 N/A GLN 529.A NE2 ASN 533.A OD1 no hydrogen 3.550 N/A THR 530.A N THR 527.A OG1 no hydrogen 3.114 N/A THR 530.A OG1 THR 527.A OG1 no hydrogen 2.787 N/A LEU 531.A N THR 527.A O no hydrogen 2.921 N/A SER 532.A N PRO 528.A O no hydrogen 3.003 N/A ASN 533.A N GLN 529.A O no hydrogen 3.032 N/A LEU 534.A N THR 530.A O no hydrogen 3.127 N/A CYS 535.A N LEU 531.A O no hydrogen 3.095 N/A CYS 535.A SG LEU 531.A O no hydrogen 3.386 N/A LEU 536.A N SER 532.A O no hydrogen 3.124 N/A LYS 537.A N LEU 534.A O no hydrogen 2.938 N/A ILE 538.A N LEU 534.A O no hydrogen 3.017 N/A ASN 539.A N CYS 535.A O no hydrogen 3.329 N/A ASN 539.A ND2 ASN 546.A OD1 no hydrogen 2.689 N/A LYS 541.A N LYS 537.A O no hydrogen 3.265 N/A LYS 541.A NZ THR 515.A O no hydrogen 3.276 N/A LYS 541.A NZ GLN 516.A OE1 no hydrogen 3.094 N/A LEU 542.A N ILE 538.A O no hydrogen 3.255 N/A GLY 543.A N VAL 540.A O no hydrogen 3.198 N/A VAL 545.A N THR 415.A O no hydrogen 3.321 N/A VAL 545.A N THR 415.A OG1 no hydrogen 3.037 N/A ASN 546.A ND2 LEU 536.A O no hydrogen 2.934 N/A ASN 546.A ND2 VAL 759.A O no hydrogen 3.592 N/A ILE 548.A N LEU 390.A O no hydrogen 3.064 N/A LEU 550.A N SER 388.A O no hydrogen 2.952 N/A GLN 552.A N GLN 552.A OE1 no hydrogen 3.081 N/A GLY 553.A N LEU 550.A O no hydrogen 2.892 N/A ARG 554.A NE PRO 551.A O no hydrogen 2.892 N/A PHE 558.A N PRO 555.A O no hydrogen 3.335 N/A ILE 563.A N ARG 631.A O no hydrogen 3.372 N/A PHE 564.A N SER 585.A OG no hydrogen 2.897 N/A LEU 565.A N ILE 633.A O no hydrogen 2.678 N/A GLY 566.A N VAL 583.A O no hydrogen 3.041 N/A ALA 567.A N TYR 635.A O no hydrogen 3.109 N/A ASP 568.A N ALA 581.A O no hydrogen 3.105 N/A THR 570.A N ILE 579.A O no hydrogen 3.010 N/A HIS 571.A ND1 SER 578.A OG no hydrogen 3.012 N/A HIS 571.A NE2 GLU 605.A OE1 no hydrogen 2.875 N/A SER 578.A N GLN 600.A O no hydrogen 3.265 N/A SER 578.A OG HIS 571.A ND1 no hydrogen 3.012 N/A SER 578.A OG GLN 601.A O no hydrogen 3.014 N/A ILE 579.A N THR 570.A O no hydrogen 2.958 N/A ALA 580.A N ARG 598.A O no hydrogen 3.006 N/A ALA 581.A N ASP 568.A O no hydrogen 3.012 N/A VAL 582.A N THR 596.A O no hydrogen 3.037 N/A VAL 583.A N GLY 566.A O no hydrogen 2.793 N/A GLY 584.A N CYS 594.A O no hydrogen 3.221 N/A SER 585.A N PHE 564.A O no hydrogen 3.134 N/A MET 586.A N ARG 592.A O no hydrogen 2.767 N/A ASN 591.A N ASP 587.A OD1 no hydrogen 2.636 N/A ARG 592.A N ASP 587.A OD2 no hydrogen 2.970 N/A ARG 592.A NH1 VAL 540.A O no hydrogen 2.614 N/A ARG 592.A NH1 GLY 544.A O no hydrogen 3.052 N/A ARG 592.A NH2 VAL 540.A O no hydrogen 3.071 N/A CYS 594.A N GLY 584.A O no hydrogen 3.102 N/A THR 596.A N VAL 582.A O no hydrogen 2.994 N/A THR 596.A OG1 VAL 582.A O no hydrogen 2.642 N/A ARG 598.A N ALA 580.A O no hydrogen 2.785 N/A ARG 598.A NE VAL 597.A O no hydrogen 3.110 N/A ARG 598.A NH1 ASP 609.A OD2 no hydrogen 2.546 N/A ARG 598.A NH2 GLU 616.A OE2 no hydrogen 2.580 N/A GLN 600.A N SER 578.A O no hydrogen 2.920 N/A GLN 600.A NE2 ILE 606.A O no hydrogen 3.196 N/A HIS 602.A ND1 LYS 576.A O no hydrogen 2.661 N/A ILE 607.A N GLU 651.A OE2 no hydrogen 3.176 N/A GLN 608.A N GLN 600.A OE1 no hydrogen 2.968 N/A MET 613.A N ASP 609.A O no hydrogen 3.307 N/A VAL 614.A N LEU 610.A O no hydrogen 2.901 N/A ARG 615.A N ALA 611.A O no hydrogen 3.196 N/A GLU 616.A N ALA 612.A O no hydrogen 3.098 N/A LEU 617.A N MET 613.A O no hydrogen 3.145 N/A LEU 618.A N VAL 614.A O no hydrogen 2.957 N/A ILE 619.A N ARG 615.A O no hydrogen 3.156 N/A GLN 620.A N GLU 616.A O no hydrogen 3.074 N/A PHE 621.A N LEU 617.A O no hydrogen 3.026 N/A TYR 622.A N LEU 618.A O no hydrogen 3.302 N/A LYS 623.A N ILE 619.A O no hydrogen 2.913 N/A SER 624.A OG GLN 620.A O no hydrogen 3.003 N/A THR 625.A N PHE 621.A O no hydrogen 3.136 N/A THR 625.A OG1 PHE 621.A O no hydrogen 2.527 N/A ARG 626.A N TYR 622.A O no hydrogen 2.930 N/A PHE 627.A N THR 625.A OG1 no hydrogen 3.388 N/A LYS 628.A NZ GLU 663.A OE1 no hydrogen 2.367 N/A LYS 628.A NZ GLU 663.A OE2 no hydrogen 3.411 N/A THR 630.A N PRO 561.A O no hydrogen 2.983 N/A THR 630.A OG1 GLN 560.A OE1 no hydrogen 3.146 N/A THR 630.A OG1 PRO 561.A O no hydrogen 3.190 N/A ILE 632.A N GLY 669.A O no hydrogen 2.677 N/A ILE 633.A N ILE 563.A O no hydrogen 3.123 N/A PHE 634.A N THR 671.A O no hydrogen 2.808 N/A TYR 635.A N LEU 565.A O no hydrogen 2.954 N/A TYR 635.A OH THR 751.A OG1 no hydrogen 2.811 N/A ARG 636.A N ILE 673.A O no hydrogen 2.634 N/A ARG 636.A NE GLU 651.A OE1 no hydrogen 2.812 N/A ARG 636.A NE GLU 651.A OE2 no hydrogen 2.975 N/A ARG 636.A NH1 GLU 605.A OE2 no hydrogen 3.097 N/A ARG 636.A NH2 GLU 651.A OE2 no hydrogen 2.851 N/A ASP 637.A N ALA 567.A O no hydrogen 2.832 N/A GLY 638.A N VAL 675.A O no hydrogen 3.509 N/A GLN 643.A N SER 640.A O no hydrogen 3.107 N/A PHE 644.A N GLU 641.A O no hydrogen 3.271 N/A GLN 645.A NE2 PHE 2.A O no hydrogen 2.527 N/A GLN 646.A N GLN 643.A O no hydrogen 3.048 N/A GLN 646.A NE2 GLY 642.A O no hydrogen 3.206 N/A VAL 647.A N GLN 643.A O no hydrogen 2.957 N/A LEU 648.A N PHE 644.A O no hydrogen 2.941 N/A HIS 649.A N GLN 645.A O no hydrogen 3.338 N/A HIS 649.A N GLN 646.A O no hydrogen 3.238 N/A HIS 650.A N GLN 646.A O no hydrogen 3.332 N/A GLU 651.A N VAL 647.A O no hydrogen 2.857 N/A LEU 652.A N LEU 648.A O no hydrogen 3.415 N/A ALA 654.A N HIS 650.A O no hydrogen 3.103 N/A ILE 655.A N GLU 651.A O no hydrogen 3.180 N/A ARG 656.A N LEU 652.A O no hydrogen 3.066 N/A GLU 657.A N LEU 653.A O no hydrogen 2.454 N/A ALA 658.A N ALA 654.A O no hydrogen 3.045 N/A CYS 659.A N ILE 655.A O no hydrogen 3.143 N/A CYS 659.A N ARG 656.A O no hydrogen 3.173 N/A CYS 659.A SG ILE 655.A O no hydrogen 3.286 N/A ILE 660.A N ARG 656.A O no hydrogen 3.194 N/A LYS 661.A N GLU 657.A O no hydrogen 3.122 N/A GLU 663.A N CYS 659.A O no hydrogen 3.400 N/A LYS 664.A NZ ASP 665.A OD2 no hydrogen 2.476 N/A TYR 666.A N GLU 663.A O no hydrogen 3.381 N/A TYR 666.A OH PRO 629.A O no hydrogen 2.584 N/A GLY 669.A N THR 630.A O no hydrogen 3.040 N/A ILE 670.A N ASP 739.A OD2 no hydrogen 3.176 N/A THR 671.A N ILE 632.A O no hydrogen 2.759 N/A THR 671.A OG1 ASP 738.A OD1 no hydrogen 2.406 N/A PHE 672.A N TRP 737.A O no hydrogen 2.676 N/A ILE 673.A N PHE 634.A O no hydrogen 2.713 N/A VAL 674.A N HIS 734.A O no hydrogen 3.112 N/A VAL 675.A N ARG 636.A O no hydrogen 2.730 N/A GLN 676.A N HIS 732.A O no hydrogen 2.781 N/A GLN 676.A NE2 VAL 639.A O no hydrogen 3.191 N/A ARG 678.A N GLN 676.A OE1 no hydrogen 3.170 N/A HIS 679.A NE2 PRO 730.A O no hydrogen 2.802 N/A THR 681.A N HIS 679.A ND1 no hydrogen 3.331 N/A THR 681.A OG1 TYR 717.A OH no hydrogen 3.381 N/A ARG 682.A N ASN 22.A OD1 no hydrogen 2.873 N/A PHE 684.A N GLN 20.A O no hydrogen 2.800 N/A CYS 685.A SG ASN 697.A O no hydrogen 3.790 N/A THR 686.A N LYS 18.A O no hydrogen 3.156 N/A GLU 690.A N ASP 687.A O no hydrogen 3.444 N/A VAL 692.A N ASN 697.A O no hydrogen 3.064 N/A SER 695.A OG GLY 726.A O no hydrogen 3.352 N/A ASN 697.A N VAL 692.A O no hydrogen 3.440 N/A ASN 697.A ND2 GLY 726.A O no hydrogen 3.656 N/A GLY 701.A N CYS 719.A O no hydrogen 2.971 N/A THR 702.A N PRO 699.A O no hydrogen 3.329 N/A THR 702.A OG1 PRO 699.A O no hydrogen 2.728 N/A THR 703.A N ARG 382.A O no hydrogen 2.745 N/A THR 703.A OG1 GLY 701.A O no hydrogen 3.122 N/A VAL 704.A N TYR 717.A O no hydrogen 2.909 N/A LYS 707.A NZ ASP 378.A O no hydrogen 3.134 N/A ILE 708.A N THR 706.A O no hydrogen 2.549 N/A THR 709.A OG1 ASP 705.A O no hydrogen 2.949 N/A HIS 710.A N ASP 715.A OD1 no hydrogen 2.982 N/A HIS 710.A N ASP 715.A OD2 no hydrogen 3.225 N/A THR 712.A N HIS 710.A ND1 no hydrogen 3.128 N/A GLU 713.A N HIS 710.A ND1 no hydrogen 2.929 N/A PHE 716.A N TYR 733.A O no hydrogen 2.994 N/A TYR 717.A N VAL 704.A O no hydrogen 2.643 N/A TYR 717.A OH THR 681.A OG1 no hydrogen 3.381 N/A LEU 718.A N SER 731.A O no hydrogen 2.884 N/A CYS 719.A N THR 702.A O no hydrogen 3.055 N/A CYS 719.A SG HIS 721.A O no hydrogen 3.622 N/A SER 720.A OG VAL 765.A O no hydrogen 2.472 N/A SER 720.A OG SER 766.A O no hydrogen 3.001 N/A ARG 729.A NH1 LYS 677.A O no hydrogen 3.074 N/A SER 731.A OG SER 766.A O no hydrogen 2.857 N/A HIS 732.A N GLN 676.A O no hydrogen 2.900 N/A HIS 732.A NE2 ASP 715.A OD2 no hydrogen 2.851 N/A TYR 733.A N PHE 716.A O no hydrogen 2.920 N/A HIS 734.A N VAL 674.A O no hydrogen 3.090 N/A HIS 734.A NE2 GLU 713.A OE1 no hydrogen 2.630 N/A VAL 735.A N PHE 714.A O no hydrogen 2.811 N/A LEU 736.A N PHE 672.A O no hydrogen 2.835 N/A TRP 737.A N PHE 672.A O no hydrogen 3.442 N/A TRP 737.A NE1 ASP 739.A OD2 no hydrogen 3.152 N/A ASP 739.A N ILE 670.A O no hydrogen 3.155 N/A ASN 740.A N ASP 738.A OD1 no hydrogen 3.224 N/A ASN 740.A ND2 GLY 669.A O no hydrogen 3.398 N/A PHE 742.A N ASP 738.A OD2 no hydrogen 2.799 N/A SER 744.A N ASP 9.A OD1 no hydrogen 2.830 N/A SER 744.A OG ASP 9.A O no hydrogen 2.326 N/A SER 744.A OG ASP 9.A OD1 no hydrogen 2.869 N/A GLU 746.A N SER 743.A OG no hydrogen 3.176 N/A LEU 747.A N SER 743.A O no hydrogen 3.182 N/A GLN 748.A N SER 744.A O no hydrogen 2.997 N/A ILE 749.A N ASP 745.A O no hydrogen 2.831 N/A LEU 750.A N GLU 746.A O no hydrogen 2.874 N/A THR 751.A N LEU 747.A O no hydrogen 2.864 N/A THR 751.A OG1 TYR 635.A OH no hydrogen 2.811 N/A THR 751.A OG1 LEU 747.A O no hydrogen 2.594 N/A TYR 752.A N GLN 748.A O no hydrogen 2.947 N/A GLN 753.A N ILE 749.A O no hydrogen 2.870 N/A GLN 753.A NE2 GLY 553.A O no hydrogen 3.195 N/A LEU 754.A N LEU 750.A O no hydrogen 3.086 N/A CYS 755.A N TYR 752.A O no hydrogen 3.207 N/A CYS 755.A SG SER 720.A OG no hydrogen 3.272 N/A CYS 755.A SG THR 751.A O no hydrogen 3.295 N/A CYS 755.A SG VAL 765.A O no hydrogen 3.569 N/A HIS 756.A N GLN 753.A O no hydrogen 2.953 N/A HIS 756.A ND1 TYR 752.A O no hydrogen 2.952 N/A THR 757.A OG1 LEU 754.A O no hydrogen 2.838 N/A VAL 759.A N TYR 773.A OH no hydrogen 3.209 N/A ARG 760.A NH1 ALA 806.A OXT no hydrogen 2.380 N/A CYS 761.A SG ARG 763.A O no hydrogen 4.044 N/A THR 762.A OG1 TRP 406.A O no hydrogen 2.982 N/A SER 764.A N GLY 404.A O no hydrogen 2.906 N/A SER 764.A OG SER 720.A O no hydrogen 2.540 N/A VAL 765.A N CYS 755.A O no hydrogen 3.109 N/A ALA 769.A N LEU 754.A O no hydrogen 3.139 N/A TYR 772.A N PRO 768.A O no hydrogen 3.090 N/A TYR 773.A N ALA 769.A O no hydrogen 2.692 N/A TYR 773.A OH THR 757.A O no hydrogen 3.203 N/A ALA 774.A N PRO 770.A O no hydrogen 3.088 N/A HIS 775.A N ALA 771.A O no hydrogen 3.397 N/A LEU 776.A N TYR 772.A O no hydrogen 3.182 N/A VAL 777.A N TYR 773.A O no hydrogen 2.892 N/A ALA 778.A N ALA 774.A O no hydrogen 3.125 N/A PHE 779.A N LEU 776.A O no hydrogen 3.259 N/A ARG 780.A N LEU 776.A O no hydrogen 2.726 N/A ARG 780.A NH1 ASP 508.A OD2 no hydrogen 3.349 N/A ARG 780.A NH1 TYR 804.A O no hydrogen 2.906 N/A ALA 781.A N VAL 777.A O no hydrogen 2.807 N/A ARG 782.A N PHE 779.A O no hydrogen 3.246 N/A TYR 783.A N ARG 780.A O no hydrogen 3.020 N/A HIS 784.A N ARG 780.A O no hydrogen 3.080 N/A HIS 784.A N ALA 781.A O no hydrogen 3.167 N/A HIS 784.A NE2 LYS 504.A O no hydrogen 3.183 N/A LEU 789.A N HIS 786.A O no hydrogen 2.131 N/A LYS 791.A N GLN 787.A O no hydrogen 3.134 N/A ALA 792.A N ALA 788.A O no hydrogen 2.722 N/A VAL 793.A N LEU 789.A O no hydrogen 3.295 N/A GLN 794.A N LYS 791.A O no hydrogen 3.067 N/A GLN 794.A NE2 VAL 795.A O no hydrogen 3.665 N/A HIS 796.A N ASP 508.A O no hydrogen 2.570 N/A ASP 798.A N HIS 796.A ND1 no hydrogen 3.022 N/A THR 799.A OG1 ASP 508.A O no hydrogen 3.010 N/A THR 799.A OG1 HIS 796.A O no hydrogen 3.046 N/A THR 802.A N THR 799.A O no hydrogen 3.444 N/A THR 802.A OG1 THR 799.A O no hydrogen 2.991 N/A ALA 806.A N MET 803.A O no hydrogen 3.218 N/A