Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4msl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 1.A SG GLY 2.A O no hydrogen 3.533 N/A LEU 11.A N PHE 7.A O no hydrogen 2.906 N/A ALA 12.A N ALA 9.A O no hydrogen 3.279 N/A ASN 14.A ND2 LYS 10.A O no hydrogen 2.698 N/A ASN 14.A ND2 ASP 512.A OD2 no hydrogen 2.671 N/A THR 15.A N ALA 12.A O no hydrogen 3.462 N/A THR 15.A OG1 LEU 11.A O no hydrogen 2.445 N/A THR 15.A OG1 TYR 468.A OH no hydrogen 2.595 N/A HIS 16.A N THR 507.A O no hydrogen 2.851 N/A HIS 18.A N SER 505.A O no hydrogen 2.938 N/A PHE 20.A N TRP 503.A O no hydrogen 2.923 N/A ARG 24.A NE LEU 23.A O no hydrogen 3.166 N/A SER 28.A N LEU 42.A O no hydrogen 2.755 N/A SER 30.A N LEU 40.A O no hydrogen 2.794 N/A VAL 32.A N VAL 38.A O no hydrogen 2.829 N/A ASP 34.A N ASN 86.A OD1 no hydrogen 2.673 N/A SER 35.A N GLU 483.A OE1 no hydrogen 2.868 N/A SER 35.A OG ASP 34.A OD2 no hydrogen 3.418 N/A THR 36.A OG1 VAL 32.A O no hydrogen 2.424 N/A THR 36.A OG1 GLY 33.A O no hydrogen 3.479 N/A VAL 38.A N THR 36.A OG1 no hydrogen 3.125 N/A ILE 39.A N SER 55.A O no hydrogen 2.915 N/A LEU 40.A N SER 30.A O no hydrogen 2.732 N/A VAL 41.A N TYR 53.A O no hydrogen 2.973 N/A LEU 42.A N SER 28.A O no hydrogen 2.854 N/A THR 43.A N LYS 51.A O no hydrogen 2.946 N/A THR 44.A N SER 26.A O no hydrogen 3.174 N/A PHE 45.A N GLN 49.A O no hydrogen 2.766 N/A LYS 51.A N THR 43.A O no hydrogen 2.914 N/A LEU 52.A N THR 66.A OG1 no hydrogen 3.135 N/A TYR 53.A N VAL 41.A O no hydrogen 2.960 N/A TYR 53.A OH ASP 22.A O no hydrogen 2.667 N/A ARG 54.A N LYS 63.A O no hydrogen 3.138 N/A ARG 54.A NE PHE 111.A O no hydrogen 2.945 N/A ARG 54.A NH1 GLU 56.A OE2 no hydrogen 3.065 N/A ARG 54.A NH2 GLU 56.A OE2 no hydrogen 3.292 N/A SER 55.A N ILE 39.A O no hydrogen 3.119 N/A SER 55.A OG ASP 57.A OD1 no hydrogen 2.317 N/A SER 55.A OG ASN 61.A O no hydrogen 2.797 N/A ASP 57.A N SER 55.A OG no hydrogen 3.232 N/A TYR 58.A N GLY 37.A O no hydrogen 3.151 N/A TYR 58.A OH GLU 483.A OE1 no hydrogen 2.579 N/A GLY 59.A N SER 55.A OG no hydrogen 2.883 N/A LYS 60.A NZ ASP 509.A OD2 no hydrogen 2.688 N/A ASN 61.A N ASP 57.A OD1 no hydrogen 2.859 N/A ASN 61.A ND2 ASP 57.A OD2 no hydrogen 2.635 N/A LYS 63.A N ARG 54.A O no hydrogen 2.926 N/A ILE 65.A N LEU 52.A O no hydrogen 2.905 N/A THR 66.A N ASP 64.A OD1 no hydrogen 2.800 N/A THR 66.A OG1 ASP 64.A OD1 no hydrogen 2.276 N/A LEU 68.A N ILE 65.A O no hydrogen 2.809 N/A ILE 69.A N THR 66.A O no hydrogen 3.179 N/A ASN 71.A N THR 66.A O no hydrogen 3.138 N/A THR 72.A N ILE 69.A O no hydrogen 3.363 N/A THR 72.A OG1 ILE 69.A O no hydrogen 3.153 N/A ILE 74.A N SER 50.A OG no hydrogen 2.859 N/A ARG 75.A N THR 93.A O no hydrogen 2.674 N/A GLU 77.A N GLU 77.A OE1 no hydrogen 2.378 N/A GLY 79.A N THR 76.A O no hydrogen 2.738 N/A ALA 81.A N VAL 91.A O no hydrogen 2.882 N/A GLY 83.A N LYS 89.A O no hydrogen 2.651 N/A ASN 86.A ND2 ASP 34.A O no hydrogen 3.215 N/A SER 87.A N PRO 84.A O no hydrogen 3.230 N/A SER 87.A OG PRO 84.A O no hydrogen 2.318 N/A LYS 89.A NZ SER 135.A OG no hydrogen 2.377 N/A LYS 89.A NZ ASP 136.A OD1 no hydrogen 2.287 N/A VAL 90.A N SER 108.A O no hydrogen 2.719 N/A VAL 91.A N ALA 81.A O no hydrogen 2.979 N/A LEU 92.A N PHE 106.A O no hydrogen 2.860 N/A ALA 94.A N ARG 104.A O no hydrogen 3.104 N/A GLU 95.A N PHE 73.A O no hydrogen 2.735 N/A SER 100.A N SER 97.A O no hydrogen 3.255 N/A SER 100.A OG SER 97.A O no hydrogen 2.853 N/A GLY 103.A N PHE 122.A O no hydrogen 2.421 N/A ARG 104.A NE ASP 119.A OD1 no hydrogen 2.441 N/A ARG 104.A NH2 ASP 119.A OD1 no hydrogen 2.826 N/A ILE 105.A N THR 118.A O no hydrogen 3.041 N/A PHE 106.A N LEU 92.A O no hydrogen 2.830 N/A ARG 107.A N VAL 116.A O no hydrogen 2.929 N/A ARG 107.A NE THR 118.A OG1 no hydrogen 2.865 N/A SER 108.A N VAL 90.A O no hydrogen 2.878 N/A SER 108.A OG VAL 90.A O no hydrogen 3.515 N/A PHE 111.A N GLY 88.A O no hydrogen 3.187 N/A LYS 113.A N ASP 110.A OD1 no hydrogen 2.983 N/A LYS 113.A NZ GLU 56.A OE2 no hydrogen 2.964 N/A ASN 114.A N ASP 110.A OD1 no hydrogen 3.118 N/A ASN 114.A ND2 ASP 110.A OD2 no hydrogen 2.565 N/A VAL 116.A N ARG 107.A O no hydrogen 2.692 N/A THR 118.A N ILE 105.A O no hydrogen 2.894 N/A LEU 120.A N GLY 103.A O no hydrogen 2.929 N/A HIS 123.A NE2 SER 100.A O no hydrogen 3.113 N/A LEU 125.A N LEU 141.A O no hydrogen 2.490 N/A THR 126.A OG1 GLN 127.A O no hydrogen 3.157 N/A GLN 127.A NE2 PHE 78.A O no hydrogen 2.670 N/A MET 129.A N LEU 139.A O no hydrogen 3.070 N/A TYR 130.A OH ALA 81.A O no hydrogen 2.540 N/A SER 131.A N TYR 137.A O no hydrogen 2.817 N/A SER 131.A OG ASN 173.A OD1 no hydrogen 2.565 N/A ASP 136.A N ASN 134.A OD1 no hydrogen 2.809 N/A TYR 137.A N ASN 134.A O no hydrogen 2.936 N/A LEU 138.A N SER 150.A O no hydrogen 3.030 N/A LEU 139.A N MET 129.A O no hydrogen 3.022 N/A ALA 140.A N TRP 148.A O no hydrogen 2.850 N/A LEU 141.A N THR 126.A OG1 no hydrogen 3.239 N/A SER 142.A N GLY 146.A O no hydrogen 2.889 N/A THR 143.A N HIS 123.A O no hydrogen 2.747 N/A THR 143.A OG1 HIS 123.A O no hydrogen 3.408 N/A GLU 144.A N SER 142.A OG no hydrogen 2.884 N/A ASN 145.A N SER 142.A O no hydrogen 2.785 N/A ASN 145.A ND2 TYR 180.A OH no hydrogen 3.538 N/A GLY 146.A N SER 142.A OG no hydrogen 2.930 N/A LEU 147.A N HIS 161.A O no hydrogen 2.943 N/A TRP 148.A N ALA 140.A O no hydrogen 2.883 N/A VAL 149.A N GLU 158.A O no hydrogen 2.814 N/A SER 150.A N LEU 138.A O no hydrogen 2.845 N/A SER 150.A OG ASN 152.A OD1 no hydrogen 3.077 N/A SER 150.A OG LYS 156.A O no hydrogen 2.891 N/A PHE 153.A N ASP 136.A O no hydrogen 2.685 N/A GLY 155.A N ASN 152.A O no hydrogen 2.624 N/A LYS 156.A N ASN 152.A OD1 no hydrogen 2.715 N/A TRP 157.A NE1 GLY 154.A O no hydrogen 2.548 N/A GLU 158.A N VAL 149.A O no hydrogen 2.849 N/A ILE 160.A N LEU 147.A O no hydrogen 2.851 N/A ALA 163.A N HIS 161.A ND1 no hydrogen 3.255 N/A VAL 164.A N ASN 145.A O no hydrogen 3.033 N/A CYS 165.A N THR 178.A O no hydrogen 3.112 N/A LYS 168.A N PHE 176.A O no hydrogen 2.723 N/A TRP 169.A NE1 MET 129.A O no hydrogen 2.780 N/A GLY 170.A N THR 174.A O no hydrogen 2.917 N/A THR 174.A N SER 171.A O no hydrogen 3.237 N/A THR 174.A OG1 SER 171.A O no hydrogen 2.473 N/A THR 174.A OG1 ASP 172.A O no hydrogen 3.547 N/A ILE 175.A N THR 197.A O no hydrogen 2.836 N/A PHE 176.A N LYS 168.A O no hydrogen 2.886 N/A PHE 177.A N TRP 195.A O no hydrogen 3.056 N/A THR 178.A N LEU 166.A O no hydrogen 2.863 N/A THR 178.A OG1 LEU 166.A O no hydrogen 3.410 N/A THR 179.A N GLU 193.A O no hydrogen 2.806 N/A THR 179.A OG1 GLU 193.A O no hydrogen 3.013 N/A ALA 187.A N SER 184.A OG no hydrogen 3.017 N/A ASP 188.A N SER 184.A O no hydrogen 2.954 N/A LEU 189.A N LYS 186.A O no hydrogen 3.464 N/A ALA 191.A N ASP 188.A O no hydrogen 2.570 N/A LEU 192.A N ILE 211.A O no hydrogen 3.154 N/A GLU 193.A N THR 179.A O no hydrogen 3.040 N/A LEU 194.A N GLY 208.A O no hydrogen 2.784 N/A TRP 195.A N PHE 177.A O no hydrogen 2.767 N/A ARG 196.A N LYS 205.A O no hydrogen 2.843 N/A ARG 196.A NH1 GLN 241.A O no hydrogen 2.624 N/A ARG 196.A NH1 ASP 243.A OD1 no hydrogen 3.283 N/A ARG 196.A NH1 ASP 243.A OD2 no hydrogen 3.381 N/A ARG 196.A NH2 ASP 243.A OD1 no hydrogen 3.370 N/A THR 197.A N ILE 175.A O no hydrogen 3.018 N/A THR 197.A OG1 SER 203.A O no hydrogen 2.972 N/A GLY 201.A N THR 197.A OG1 no hydrogen 2.889 N/A LYS 202.A N ASP 199.A OD1 no hydrogen 2.561 N/A SER 203.A N ASP 199.A OD1 no hydrogen 3.143 N/A SER 203.A OG ASP 199.A OD2 no hydrogen 3.122 N/A LYS 205.A N ARG 196.A O no hydrogen 2.945 N/A LYS 205.A NZ ASP 243.A OD1 no hydrogen 2.811 N/A ILE 207.A N LEU 194.A O no hydrogen 2.649 N/A GLY 208.A N LEU 194.A O no hydrogen 3.028 N/A ILE 211.A N LEU 192.A O no hydrogen 2.611 N/A TYR 212.A N SER 224.A O no hydrogen 2.879 N/A GLY 215.A N PHE 222.A O no hydrogen 2.996 N/A GLY 217.A N PHE 220.A O no hydrogen 3.235 N/A ARG 219.A NE ASP 266.A O no hydrogen 2.770 N/A ARG 219.A NH2 ASP 266.A O no hydrogen 3.405 N/A ARG 219.A NH2 ASP 289.A O no hydrogen 2.405 N/A PHE 220.A N GLY 217.A O no hydrogen 2.849 N/A LEU 221.A N SER 238.A O no hydrogen 2.832 N/A PHE 222.A N GLY 215.A O no hydrogen 2.864 N/A ALA 223.A N HIS 236.A O no hydrogen 3.016 N/A SER 224.A N SER 213.A O no hydrogen 2.702 N/A SER 224.A OG SER 213.A O no hydrogen 3.085 N/A VAL 225.A N ARG 234.A O no hydrogen 2.885 N/A MET 226.A N LYS 210.A O no hydrogen 3.235 N/A ALA 227.A N THR 232.A O no hydrogen 2.879 N/A THR 231.A N ASP 230.A OD1 no hydrogen 2.565 N/A ARG 233.A N VAL 253.A O no hydrogen 2.995 N/A ARG 233.A NH1 GLN 257.A O no hydrogen 3.535 N/A ARG 233.A NH2 GLN 257.A O no hydrogen 2.730 N/A ARG 234.A N VAL 225.A O no hydrogen 2.897 N/A ARG 234.A NH1 LEU 250.A O no hydrogen 3.179 N/A ARG 234.A NH2 GLU 606.A OE1 no hydrogen 2.508 N/A HIS 236.A N ALA 223.A O no hydrogen 2.850 N/A VAL 237.A N SER 246.A O no hydrogen 2.840 N/A SER 238.A N LEU 221.A O no hydrogen 2.919 N/A SER 238.A OG ASP 240.A OD1 no hydrogen 2.426 N/A SER 238.A OG THR 244.A O no hydrogen 2.839 N/A ASP 240.A N SER 238.A OG no hydrogen 3.293 N/A GLN 241.A NE2 THR 174.A OG1 no hydrogen 3.394 N/A GLY 242.A N SER 238.A OG no hydrogen 2.901 N/A THR 244.A N ASP 240.A OD1 no hydrogen 2.857 N/A THR 244.A OG1 ASP 240.A OD2 no hydrogen 2.274 N/A TRP 245.A NE1 ILE 207.A O no hydrogen 2.707 N/A SER 246.A N VAL 237.A O no hydrogen 3.064 N/A SER 246.A OG TRP 245.A O no hydrogen 2.801 N/A SER 246.A OG HIS 615.A NE2 no hydrogen 3.167 N/A ALA 248.A N ILE 235.A O no hydrogen 2.982 N/A GLN 249.A N ILE 292.A O no hydrogen 2.865 N/A SER 252.A OG GLU 606.A OE2 no hydrogen 3.481 N/A VAL 253.A N ARG 233.A O no hydrogen 2.982 N/A GLY 254.A N GLN 257.A OE1 no hydrogen 2.974 N/A GLN 257.A N GLY 254.A O no hydrogen 3.179 N/A GLN 257.A NE2 ASP 274.A O no hydrogen 2.740 N/A TYR 259.A OH ARG 233.A O no hydrogen 3.143 N/A TYR 259.A OH PRO 251.A O no hydrogen 2.735 N/A SER 260.A N HIS 272.A O no hydrogen 2.987 N/A SER 260.A OG TYR 303.A OH no hydrogen 2.856 N/A LEU 262.A N PHE 270.A O no hydrogen 2.739 N/A ASN 265.A N MET 268.A O no hydrogen 2.937 N/A MET 268.A N ASN 265.A O no hydrogen 2.912 N/A MET 268.A N ASN 265.A OD1 no hydrogen 2.584 N/A VAL 269.A N SER 287.A OG no hydrogen 3.022 N/A PHE 270.A N ALA 263.A O no hydrogen 2.911 N/A MET 271.A N PHE 285.A O no hydrogen 2.782 N/A HIS 272.A N SER 260.A O no hydrogen 2.801 N/A HIS 272.A ND1 HIS 301.A ND1 no hydrogen 2.898 N/A VAL 273.A N THR 283.A O no hydrogen 2.814 N/A ASP 274.A N PHE 258.A O no hydrogen 2.972 N/A GLU 275.A N PHE 281.A O no hydrogen 3.214 N/A THR 279.A OG1 PHE 281.A O no hydrogen 2.544 N/A PHE 281.A N THR 279.A OG1 no hydrogen 3.033 N/A GLY 282.A N HIS 301.A O no hydrogen 2.835 N/A THR 283.A N VAL 273.A O no hydrogen 3.070 N/A THR 283.A OG1 GLU 275.A OE1 no hydrogen 3.265 N/A ILE 284.A N LEU 298.A O no hydrogen 2.883 N/A PHE 285.A N MET 271.A O no hydrogen 2.700 N/A THR 286.A N SER 295.A O no hydrogen 2.997 N/A SER 287.A N VAL 269.A O no hydrogen 2.987 N/A SER 287.A OG VAL 269.A O no hydrogen 3.535 N/A SER 287.A OG ASP 288.A O no hydrogen 2.882 N/A ASP 288.A N VAL 293.A O no hydrogen 2.807 N/A ARG 290.A N ASP 288.A OD1 no hydrogen 3.059 N/A ARG 290.A NE ASP 288.A OD2 no hydrogen 2.981 N/A ARG 290.A NH1 GLU 614.A OE2 no hydrogen 2.708 N/A ARG 290.A NH2 ASP 288.A OD2 no hydrogen 2.600 N/A GLY 291.A N ASP 288.A O no hydrogen 2.939 N/A ILE 292.A N ASP 288.A OD1 no hydrogen 3.070 N/A VAL 293.A N ASP 288.A OD1 no hydrogen 3.157 N/A TYR 294.A N GLN 249.A OE1 no hydrogen 3.340 N/A TYR 294.A OH GLY 291.A O no hydrogen 2.718 N/A SER 295.A N THR 286.A O no hydrogen 2.901 N/A SER 297.A N ILE 284.A O no hydrogen 2.913 N/A SER 297.A OG GLY 342.A O no hydrogen 2.599 N/A LEU 298.A N ILE 284.A O no hydrogen 3.073 N/A ARG 300.A NE LEU 327.A O no hydrogen 2.710 N/A ARG 300.A NH2 SER 328.A O no hydrogen 3.048 N/A HIS 301.A N GLY 282.A O no hydrogen 2.727 N/A HIS 301.A ND1 HIS 272.A ND1 no hydrogen 2.898 N/A HIS 301.A NE2 THR 324.A OG1 no hydrogen 2.525 N/A LEU 302.A N SER 325.A O no hydrogen 3.071 N/A TYR 303.A N GLY 280.A O no hydrogen 3.150 N/A TYR 303.A OH SER 260.A OG no hydrogen 2.856 N/A THR 304.A N GLU 309.A O no hydrogen 3.278 N/A THR 304.A OG1 THR 306.A O no hydrogen 3.515 N/A THR 304.A OG1 GLY 307.A O no hydrogen 3.096 N/A THR 304.A OG1 GLU 309.A OE1 no hydrogen 2.917 N/A GLU 309.A N THR 304.A OG1 no hydrogen 2.783 N/A THR 310.A OG1 LEU 302.A O no hydrogen 2.796 N/A THR 313.A N ILE 323.A O no hydrogen 2.879 N/A THR 313.A OG1 ASP 311.A O no hydrogen 2.757 N/A VAL 315.A N VAL 321.A O no hydrogen 2.897 N/A THR 316.A N SER 388.A OG no hydrogen 3.002 N/A THR 316.A OG1 SER 388.A OG no hydrogen 2.924 N/A SER 317.A OG ILE 395.A O no hydrogen 2.616 N/A LEU 318.A N VAL 315.A O no hydrogen 3.480 N/A ARG 319.A NE GLU 546.A OE1 no hydrogen 3.104 N/A ARG 319.A NH1 ILE 541.A O no hydrogen 2.990 N/A ARG 319.A NH2 ILE 541.A O no hydrogen 2.911 N/A ARG 319.A NH2 TYR 544.A O no hydrogen 2.861 N/A VAL 321.A N LEU 318.A O no hydrogen 3.365 N/A TYR 322.A N THR 338.A O no hydrogen 2.941 N/A ILE 323.A N THR 313.A O no hydrogen 2.987 N/A THR 324.A N MET 336.A O no hydrogen 2.786 N/A THR 324.A OG1 HIS 301.A NE2 no hydrogen 2.525 N/A SER 325.A N THR 324.A OG1 no hydrogen 2.733 N/A SER 325.A OG ASP 311.A OD2 no hydrogen 2.465 N/A VAL 326.A N GLN 334.A O no hydrogen 2.801 N/A LEU 327.A N ARG 300.A O no hydrogen 2.734 N/A SER 328.A N SER 332.A O no hydrogen 2.861 N/A ASN 331.A N SER 328.A O no hydrogen 3.179 N/A SER 332.A OG ASP 330.A OD1 no hydrogen 2.350 N/A GLN 334.A N VAL 326.A O no hydrogen 3.023 N/A GLN 334.A NE2 ASP 404.A O no hydrogen 3.380 N/A THR 335.A N HIS 369.A ND1 no hydrogen 3.031 N/A MET 336.A N THR 324.A O no hydrogen 2.757 N/A ILE 337.A N THR 346.A O no hydrogen 2.992 N/A THR 338.A N TYR 322.A O no hydrogen 2.839 N/A THR 338.A OG1 ASP 340.A OD1 no hydrogen 2.394 N/A THR 338.A OG1 ARG 344.A O no hydrogen 2.828 N/A GLN 341.A N GLY 320.A O no hydrogen 2.861 N/A GLN 341.A NE2 PRO 625.A O no hydrogen 3.334 N/A GLY 342.A N THR 338.A OG1 no hydrogen 2.725 N/A GLY 343.A N ASP 340.A OD1 no hydrogen 3.245 N/A ARG 344.A N ASP 340.A OD1 no hydrogen 3.067 N/A TRP 345.A NE1 SER 297.A OG no hydrogen 2.675 N/A THR 346.A N ILE 337.A O no hydrogen 3.046 N/A THR 346.A OG1 HIS 347.A O no hydrogen 3.306 N/A LYS 350.A NZ PRO 351.A O no hydrogen 3.054 N/A LYS 350.A NZ SER 354.A O no hydrogen 2.600 N/A SER 354.A N PRO 351.A O no hydrogen 3.346 N/A CYS 356.A SG ASN 362.A O no hydrogen 3.549 N/A CYS 356.A SG LYS 363.A O no hydrogen 3.130 N/A ASP 357.A N VAL 402.A O no hydrogen 3.244 N/A ALA 360.A N ASP 357.A O no hydrogen 3.105 N/A LYS 361.A N ASP 404.A OD2 no hydrogen 3.395 N/A ASN 364.A N ASN 362.A OD1 no hydrogen 2.553 N/A GLU 365.A N ASN 362.A OD1 no hydrogen 3.330 N/A SER 367.A N GLY 403.A O no hydrogen 3.173 N/A SER 367.A OG HIS 369.A NE2 no hydrogen 3.292 N/A LEU 368.A N LEU 348.A O no hydrogen 3.072 N/A HIS 369.A N SER 401.A O no hydrogen 2.802 N/A HIS 369.A NE2 GLY 403.A O no hydrogen 2.796 N/A ILE 370.A N THR 335.A OG1 no hydrogen 2.728 N/A HIS 371.A N HIS 399.A O no hydrogen 2.980 N/A HIS 371.A ND1 SER 375.A OG no hydrogen 2.840 N/A TYR 374.A N ASP 311.A OD1 no hydrogen 2.628 N/A SER 375.A OG HIS 371.A ND1 no hydrogen 2.840 N/A ILE 376.A N ALA 372.A O no hydrogen 3.039 N/A SER 377.A N SER 373.A O no hydrogen 2.822 N/A SER 377.A OG TYR 374.A O no hydrogen 2.778 N/A GLN 378.A N TYR 374.A O no hydrogen 3.073 N/A GLN 378.A N SER 375.A O no hydrogen 2.989 N/A GLN 378.A NE2 SER 377.A OG no hydrogen 3.188 N/A LYS 379.A N ILE 376.A O no hydrogen 2.703 N/A LEU 380.A N SER 375.A O no hydrogen 3.429 N/A LEU 387.A N ILE 397.A O no hydrogen 2.775 N/A SER 388.A OG THR 316.A OG1 no hydrogen 2.924 N/A ASN 391.A N ASN 391.A OD1 no hydrogen 2.516 N/A ASN 391.A ND2 SER 438.A OG no hydrogen 3.027 N/A ASN 391.A ND2 GLY 485.A O no hydrogen 2.747 N/A ASN 391.A ND2 ALA 486.A O no hydrogen 3.453 N/A ALA 392.A N GLU 389.A O no hydrogen 3.134 N/A GLY 394.A N SER 317.A O no hydrogen 2.678 N/A ILE 395.A N ALA 392.A O no hydrogen 3.391 N/A VAL 396.A N SER 416.A O no hydrogen 2.741 N/A ILE 397.A N LEU 387.A O no hydrogen 2.965 N/A ALA 398.A N TYR 414.A O no hydrogen 2.903 N/A HIS 399.A ND1 MET 384.A O no hydrogen 3.128 N/A GLY 400.A N ASP 412.A O no hydrogen 3.411 N/A SER 401.A N HIS 369.A O no hydrogen 2.908 N/A GLY 403.A N SER 367.A O no hydrogen 2.912 N/A ILE 406.A N ILE 333.A O no hydrogen 2.800 N/A SER 407.A N SER 401.A OG no hydrogen 3.177 N/A VAL 413.A N LEU 427.A O no hydrogen 2.908 N/A TYR 414.A N ALA 398.A O no hydrogen 2.783 N/A ILE 415.A N THR 424.A O no hydrogen 2.790 N/A SER 416.A N VAL 396.A O no hydrogen 2.812 N/A SER 416.A OG SER 422.A O no hydrogen 2.841 N/A GLY 420.A N SER 416.A OG no hydrogen 2.941 N/A TYR 421.A OH HIS 529.A ND1 no hydrogen 2.715 N/A SER 422.A N ASP 418.A OD1 no hydrogen 2.999 N/A SER 422.A OG ASP 418.A OD2 no hydrogen 2.646 N/A TRP 423.A NE1 GLY 420.A O no hydrogen 3.094 N/A THR 424.A N ILE 415.A O no hydrogen 2.973 N/A MET 426.A N VAL 413.A O no hydrogen 2.607 N/A LEU 427.A N VAL 413.A O no hydrogen 3.143 N/A GLY 429.A N ASP 412.A OD1 no hydrogen 3.173 N/A HIS 431.A N HIS 399.A NE2 no hydrogen 3.098 N/A HIS 431.A ND1 GLY 429.A O no hydrogen 2.678 N/A TYR 432.A N ILE 445.A O no hydrogen 2.799 N/A TYR 433.A OH ALA 385.A O no hydrogen 2.709 N/A TYR 433.A OH HIS 399.A ND1 no hydrogen 3.409 N/A THR 434.A N VAL 443.A O no hydrogen 2.943 N/A LEU 436.A N ILE 441.A O no hydrogen 2.789 N/A ASP 437.A N SER 488.A O no hydrogen 2.998 N/A SER 438.A N ALA 486.A O no hydrogen 2.783 N/A GLY 439.A N LEU 436.A O no hydrogen 2.993 N/A GLY 440.A N ASP 437.A O no hydrogen 2.773 N/A ILE 441.A N LEU 436.A O no hydrogen 3.183 N/A ILE 442.A N SER 458.A O no hydrogen 2.899 N/A VAL 443.A N THR 434.A O no hydrogen 2.986 N/A ALA 444.A N LYS 456.A O no hydrogen 2.801 N/A ILE 445.A N TYR 432.A O no hydrogen 2.799 N/A HIS 447.A N PRO 430.A O no hydrogen 3.003 N/A SER 448.A OG ARG 450.A O no hydrogen 3.126 N/A ARG 450.A N SER 448.A OG no hydrogen 3.036 N/A ILE 452.A N ILE 475.A O no hydrogen 2.850 N/A ASN 453.A ND2 THR 471.A O no hydrogen 3.678 N/A ILE 455.A N TYR 468.A O no hydrogen 2.843 N/A LYS 456.A N ALA 444.A O no hydrogen 2.979 N/A LYS 456.A NZ HIS 431.A NE2 no hydrogen 3.093 N/A PHE 457.A N GLN 466.A O no hydrogen 3.188 N/A SER 458.A N ILE 442.A O no hydrogen 2.852 N/A SER 458.A OG ASP 460.A OD1 no hydrogen 2.529 N/A SER 458.A OG CYS 464.A O no hydrogen 2.987 N/A ASP 460.A N SER 458.A OG no hydrogen 3.249 N/A GLY 462.A N SER 458.A OG no hydrogen 2.897 N/A CYS 464.A N ASP 460.A OD1 no hydrogen 3.026 N/A CYS 464.A N ASP 460.A OD2 no hydrogen 2.892 N/A CYS 464.A SG GLN 463.A O no hydrogen 3.165 N/A TRP 465.A NE1 GLY 462.A O no hydrogen 3.156 N/A GLN 466.A N PHE 457.A O no hydrogen 3.006 N/A GLN 466.A NE2 VAL 4.A O no hydrogen 2.761 N/A TYR 468.A N ILE 455.A O no hydrogen 2.926 N/A TYR 468.A OH THR 15.A OG1 no hydrogen 2.595 N/A PHE 470.A N ASN 453.A O no hydrogen 3.033 N/A THR 471.A OG1 ASP 473.A O no hydrogen 2.749 N/A THR 471.A OG1 TYR 506.A OH no hydrogen 3.088 N/A ILE 475.A N ILE 452.A O no hydrogen 3.232 N/A TYR 476.A N PHE 496.A O no hydrogen 2.742 N/A THR 478.A N TRP 494.A O no hydrogen 2.670 N/A ALA 481.A N SER 492.A O no hydrogen 2.989 N/A ALA 486.A N GLU 483.A O no hydrogen 3.344 N/A ARG 487.A NH1 ARG 561.A O no hydrogen 2.876 N/A ARG 487.A NH1 TYR 563.A O no hydrogen 2.723 N/A ARG 487.A NH2 TYR 563.A O no hydrogen 3.244 N/A ASN 490.A N SER 488.A OG no hydrogen 2.762 N/A ILE 491.A N ILE 508.A O no hydrogen 3.093 N/A SER 492.A N ALA 481.A O no hydrogen 2.814 N/A SER 492.A OG THR 507.A OG1 no hydrogen 2.698 N/A ILE 493.A N TYR 506.A O no hydrogen 3.111 N/A TRP 494.A N GLY 479.A O no hydrogen 2.748 N/A GLY 495.A N VAL 504.A O no hydrogen 3.109 N/A PHE 496.A N TYR 476.A O no hydrogen 3.099 N/A GLU 498.A N GLU 498.A OE1 no hydrogen 2.593 N/A VAL 504.A N GLY 495.A O no hydrogen 2.735 N/A SER 505.A N HIS 18.A O no hydrogen 2.964 N/A TYR 506.A N ILE 493.A O no hydrogen 3.043 N/A TYR 506.A OH THR 471.A OG1 no hydrogen 3.088 N/A THR 507.A N HIS 16.A O no hydrogen 2.889 N/A THR 507.A OG1 GLY 59.A O no hydrogen 2.820 N/A THR 507.A OG1 SER 492.A OG no hydrogen 2.698 N/A ILE 508.A N ILE 491.A O no hydrogen 2.777 N/A ASP 509.A N ASN 14.A O no hydrogen 3.271 N/A PHE 510.A N MET 489.A O no hydrogen 3.219 N/A LYS 511.A N ASP 509.A OD1 no hydrogen 3.140 N/A LYS 511.A NZ ASN 14.A OD1 no hydrogen 3.323 N/A LYS 511.A NZ ASP 512.A OD2 no hydrogen 3.362 N/A LEU 514.A N PHE 510.A O no hydrogen 3.207 N/A ARG 516.A NH1 ASP 522.A OD1 no hydrogen 3.489 N/A ARG 516.A NH1 ASP 522.A OD2 no hydrogen 2.786 N/A ARG 516.A NH2 ASP 522.A OD1 no hydrogen 2.676 N/A ARG 516.A NH2 ASP 522.A OD2 no hydrogen 3.074 N/A ARG 516.A NH2 MET 556.A O no hydrogen 3.548 N/A CYS 518.A N GLN 558.A O no hydrogen 2.837 N/A CYS 518.A SG ASN 559.A OD1 no hydrogen 3.812 N/A GLU 519.A N ASP 522.A OD2 no hydrogen 2.797 N/A LYS 521.A NZ GLU 519.A OE2 no hydrogen 3.352 N/A ASP 522.A N GLU 519.A O no hydrogen 2.623 N/A TYR 523.A N GLU 520.A O no hydrogen 3.119 N/A TYR 523.A OH ASN 559.A OD1 no hydrogen 2.823 N/A THR 524.A N ARG 550.A O no hydrogen 2.868 N/A TRP 526.A N PHE 548.A O no hydrogen 2.843 N/A ALA 528.A N GLU 546.A O no hydrogen 2.935 N/A HIS 529.A ND1 TYR 421.A OH no hydrogen 2.715 N/A HIS 529.A NE2 ARG 319.A O no hydrogen 2.735 N/A SER 530.A OG ASP 538.A OD2 no hydrogen 2.404 N/A THR 531.A N ASP 538.A OD1 no hydrogen 2.628 N/A ASP 532.A N ASP 538.A OD1 no hydrogen 3.074 N/A GLU 534.A N ASP 532.A OD1 no hydrogen 3.346 N/A ASP 535.A N ASP 532.A O no hydrogen 2.931 N/A ASP 538.A N ASP 535.A O no hydrogen 2.750 N/A CYS 540.A N GLU 537.A O no hydrogen 2.791 N/A CYS 540.A SG GLU 537.A O no hydrogen 3.144 N/A ILE 541.A N TYR 544.A O no hydrogen 2.960 N/A TYR 544.A N ILE 541.A O no hydrogen 3.432 N/A LYS 545.A N SER 570.A O no hydrogen 2.898 N/A LYS 545.A NZ TYR 536.A O no hydrogen 2.815 N/A LYS 545.A NZ ASP 538.A O no hydrogen 3.081 N/A GLN 547.A N GLN 568.A O no hydrogen 2.966 N/A PHE 548.A N TRP 526.A O no hydrogen 2.778 N/A LEU 549.A N THR 566.A O no hydrogen 3.171 N/A ARG 550.A N THR 524.A O no hydrogen 2.973 N/A ARG 550.A NH1 ASP 417.A O no hydrogen 2.764 N/A ARG 550.A NH2 ASP 417.A O no hydrogen 2.647 N/A ARG 550.A NH2 GLU 461.A OE1 no hydrogen 3.475 N/A ARG 552.A N ASP 522.A O no hydrogen 2.922 N/A ARG 552.A NE LYS 521.A O no hydrogen 3.048 N/A LYS 553.A NZ ASP 417.A OD2 no hydrogen 3.153 N/A LYS 553.A NZ GLU 461.A OE1 no hydrogen 3.314 N/A SER 555.A OG ASP 522.A OD1 no hydrogen 2.975 N/A GLN 558.A N ARG 516.A O no hydrogen 2.888 N/A ASN 559.A N ASP 437.A OD2 no hydrogen 2.689 N/A ASN 559.A ND2 ASP 437.A O no hydrogen 2.833 N/A GLY 560.A N ASP 437.A OD1 no hydrogen 2.846 N/A ARG 561.A NH1 GLU 483.A OE2 no hydrogen 2.831 N/A ARG 561.A NH2 SER 35.A OG no hydrogen 3.288 N/A ARG 561.A NH2 GLU 483.A OE1 no hydrogen 2.997 N/A ARG 561.A NH2 GLU 483.A OE2 no hydrogen 2.479 N/A TYR 563.A N GLY 560.A O no hydrogen 3.108 N/A LYS 567.A NZ GLU 546.A OE2 no hydrogen 2.819 N/A GLN 568.A N GLN 547.A O no hydrogen 2.793 N/A SER 570.A N LYS 545.A O no hydrogen 2.770 N/A CYS 572.A N GLY 543.A O no hydrogen 2.696 N/A CYS 572.A SG SER 570.A O no hydrogen 3.938 N/A CYS 574.A N GLN 630.A O no hydrogen 3.395 N/A CYS 574.A N GLY 631.A O no hydrogen 3.307 N/A SER 575.A N ASP 578.A OD2 no hydrogen 2.647 N/A SER 575.A OG ASP 578.A OD2 no hydrogen 3.374 N/A GLU 577.A N SER 575.A OG no hydrogen 3.334 N/A ASP 578.A N SER 575.A O no hydrogen 2.981 N/A PHE 579.A N LEU 576.A O no hydrogen 2.853 N/A LEU 580.A N ARG 622.A O no hydrogen 2.706 N/A ASP 582.A N GLY 620.A O no hydrogen 3.029 N/A PHE 583.A N ASP 582.A OD1 no hydrogen 2.630 N/A TYR 585.A N ASP 582.A O no hydrogen 2.985 N/A TYR 586.A N VAL 595.A O no hydrogen 2.835 N/A ARG 587.A NE SER 592.A O no hydrogen 2.572 N/A ARG 587.A NH1 PHE 579.A O no hydrogen 3.538 N/A ARG 587.A NH2 PHE 579.A O no hydrogen 2.565 N/A SER 592.A OG GLU 577.A OE2 no hydrogen 3.059 N/A LYS 593.A N ASP 591.A OD1 no hydrogen 2.567 N/A LYS 593.A NZ TYR 621.A OH no hydrogen 3.429 N/A CYS 594.A N TYR 621.A OH no hydrogen 2.737 N/A VAL 595.A N TYR 586.A O no hydrogen 2.871 N/A GLN 597.A N GLY 584.A O no hydrogen 2.886 N/A ASP 604.A N LYS 601.A O no hydrogen 3.083 N/A LEU 605.A N LYS 601.A O no hydrogen 3.228 N/A GLU 606.A N GLY 602.A O no hydrogen 2.783 N/A PHE 607.A N HIS 603.A O no hydrogen 2.882 N/A CYS 608.A N ASP 604.A O no hydrogen 2.876 N/A CYS 608.A SG LEU 642.A O no hydrogen 3.789 N/A LEU 609.A N LEU 605.A O no hydrogen 3.143 N/A TYR 610.A N GLU 606.A O no hydrogen 2.948 N/A GLY 611.A N PHE 607.A O no hydrogen 2.410 N/A ARG 612.A NH1 TRP 245.A O no hydrogen 3.319 N/A ARG 612.A NH1 SER 246.A OG no hydrogen 3.201 N/A LEU 616.A N ARG 612.A O no hydrogen 3.136 N/A THR 617.A N GLU 613.A O no hydrogen 3.355 N/A THR 617.A OG1 LYS 640.A O no hydrogen 2.259 N/A THR 618.A N LYS 640.A O no hydrogen 3.083 N/A THR 618.A OG1 ASP 582.A OD2 no hydrogen 2.427 N/A GLY 620.A N THR 618.A OG1 no hydrogen 2.675 N/A ARG 622.A N LEU 580.A O no hydrogen 2.947 N/A ARG 622.A NH2 ASP 289.A OD1 no hydrogen 3.163 N/A LYS 623.A NZ ASP 627.A O no hydrogen 3.241 N/A LYS 623.A NZ CYS 629.A O no hydrogen 2.868 N/A ILE 624.A N ASP 578.A O no hydrogen 3.018 N/A ASP 627.A N ILE 624.A O no hydrogen 3.071 N/A LYS 628.A N LEU 542.A O no hydrogen 2.942 N/A LYS 628.A NZ TYR 544.A OH no hydrogen 2.794 N/A CYS 629.A N ASP 627.A OD1 no hydrogen 2.978 N/A CYS 629.A SG ASP 627.A OD1 no hydrogen 3.372 N/A GLN 630.A N CYS 572.A O no hydrogen 2.916 N/A VAL 633.A N CYS 574.A O no hydrogen 2.978 N/A LYS 640.A N THR 618.A O no hydrogen 2.933 N/A LEU 642.A N LEU 616.A O no hydrogen 3.346 N/A LYS 645.A NZ GLU 596.A OE2 no hydrogen 2.726 N/A LYS 645.A NZ GLN 597.A O no hydrogen 2.209 N/A CYS 646.A N LEU 642.A O no hydrogen 3.316 N/A CYS 646.A SG CYS 608.A O no hydrogen 3.149 N/A CYS 646.A SG LEU 642.A O no hydrogen 3.401 N/A CYS 646.A SG LYS 643.A O no hydrogen 3.098 N/A THR 647.A N LYS 643.A O no hydrogen 3.184 N/A THR 647.A OG1 LYS 643.A O no hydrogen 2.781 N/A THR 647.A OG1 LYS 644.A O no hydrogen 3.114 N/A ASN 649.A N CYS 646.A O no hydrogen 3.503 N/A PHE 650.A N THR 647.A O no hydrogen 3.105 N/A