Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8by6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N ASN 1.A O no hydrogen 2.881 N/A HIS 6.A N GLU 2.A O no hydrogen 2.864 N/A LEU 7.A N THR 3.A O no hydrogen 2.926 N/A GLU 8.A N GLU 4.A O no hydrogen 2.920 N/A SER 9.A N ASP 5.A O no hydrogen 2.940 N/A SER 9.A OG ASP 5.A O no hydrogen 3.459 N/A SER 9.A OG HIS 6.A O no hydrogen 2.596 N/A LEU 10.A N HIS 6.A O no hydrogen 2.917 N/A ILE 11.A N LEU 7.A O no hydrogen 2.900 N/A CYS 12.A N GLU 8.A O no hydrogen 2.967 N/A LYS 13.A N LEU 10.A O no hydrogen 3.185 N/A GLU 16.A N LYS 13.A O no hydrogen 3.336 N/A SER 18.A OG GLU 16.A O no hydrogen 3.029 N/A SER 24.A OG SER 21.A O no hydrogen 3.279 N/A ASN 25.A N SER 21.A O no hydrogen 3.286 N/A LEU 26.A N LEU 22.A O no hydrogen 2.916 N/A GLU 27.A N GLU 23.A O no hydrogen 2.916 N/A GLY 28.A N SER 24.A O no hydrogen 2.923 N/A LEU 29.A N ASN 25.A O no hydrogen 2.869 N/A ALA 30.A N LEU 26.A O no hydrogen 2.926 N/A GLY 31.A N GLU 27.A O no hydrogen 2.939 N/A VAL 32.A N GLY 28.A O no hydrogen 2.895 N/A LEU 33.A N LEU 29.A O no hydrogen 2.917 N/A GLU 34.A N ALA 30.A O no hydrogen 2.933 N/A ALA 35.A N GLY 31.A O no hydrogen 2.907 N/A ASP 36.A N VAL 32.A O no hydrogen 3.199 N/A LEU 37.A N GLU 34.A O no hydrogen 3.105 N/A TYR 40.A N LEU 37.A O no hydrogen 3.382 N/A LYS 43.A NZ GLU 4.A OE2 no hydrogen 2.600 N/A ILE 44.A N TYR 40.A O no hydrogen 2.857 N/A LEU 45.A N LYS 41.A O no hydrogen 2.927 N/A ARG 46.A N SER 42.A O no hydrogen 2.919 N/A LEU 47.A N LYS 43.A O no hydrogen 2.893 N/A LEU 48.A N ILE 44.A O no hydrogen 2.920 N/A CYS 49.A N LEU 45.A O no hydrogen 2.913 N/A CYS 49.A SG LEU 45.A O no hydrogen 3.274 N/A THR 50.A N ARG 46.A O no hydrogen 2.925 N/A VAL 51.A N LEU 47.A O no hydrogen 2.913 N/A ALA 52.A N LEU 48.A O no hydrogen 2.891 N/A ARG 53.A N CYS 49.A O no hydrogen 2.935 N/A LEU 54.A N THR 50.A O no hydrogen 2.935 N/A LEU 55.A N VAL 51.A O no hydrogen 3.081 N/A GLU 57.A N GLU 57.A OE2 no hydrogen 2.937 N/A LYS 58.A N LEU 55.A O no hydrogen 3.299 N/A LEU 59.A N PRO 56.A O no hydrogen 2.903 N/A THR 60.A OG1 LEU 226.A O no hydrogen 3.410 N/A TYR 62.A N LYS 58.A O no hydrogen 3.411 N/A THR 63.A N LEU 59.A O no hydrogen 2.849 N/A THR 63.A OG1 LEU 59.A O no hydrogen 2.667 N/A THR 63.A OG1 ASP 109.A OD2 no hydrogen 2.997 N/A THR 64.A N THR 60.A O no hydrogen 2.890 N/A THR 64.A OG1 THR 60.A O no hydrogen 2.993 N/A LEU 65.A N ILE 61.A O no hydrogen 3.029 N/A VAL 66.A N TYR 62.A O no hydrogen 2.959 N/A GLY 67.A N THR 63.A O no hydrogen 3.085 N/A LEU 68.A N THR 64.A O no hydrogen 2.822 N/A LEU 69.A N LEU 65.A O no hydrogen 2.924 N/A ASN 70.A N VAL 66.A O no hydrogen 2.681 N/A ASN 70.A ND2 HIS 114.A O no hydrogen 3.426 N/A ASN 70.A ND2 LEU 240.A O no hydrogen 3.253 N/A ALA 71.A N GLY 67.A O no hydrogen 2.643 N/A ARG 72.A N LEU 69.A O no hydrogen 3.199 N/A ARG 72.A NE GLU 34.A OE2 no hydrogen 2.900 N/A ARG 72.A NH1 GLU 27.A OE2 no hydrogen 3.480 N/A ASN 73.A N LEU 69.A O no hydrogen 2.923 N/A GLY 77.A N ASN 73.A O no hydrogen 3.258 N/A GLY 78.A N TYR 74.A O no hydrogen 2.955 N/A GLU 79.A N ASN 75.A O no hydrogen 2.919 N/A PHE 80.A N PHE 76.A O no hydrogen 2.866 N/A VAL 81.A N GLY 77.A O no hydrogen 2.913 N/A GLU 82.A N GLY 78.A O no hydrogen 2.964 N/A ALA 83.A N GLU 79.A O no hydrogen 2.874 N/A MET 84.A N PHE 80.A O no hydrogen 2.885 N/A ILE 85.A N VAL 81.A O no hydrogen 2.950 N/A ARG 86.A N GLU 82.A O no hydrogen 2.925 N/A GLN 87.A N ALA 83.A O no hydrogen 2.866 N/A LEU 88.A N MET 84.A O no hydrogen 2.885 N/A LYS 89.A N ILE 85.A O no hydrogen 2.929 N/A GLU 90.A N ARG 86.A O no hydrogen 2.897 N/A SER 91.A N GLN 87.A O no hydrogen 2.888 N/A SER 91.A OG ASN 96.A OD1 no hydrogen 3.335 N/A LEU 92.A N LEU 88.A O no hydrogen 2.923 N/A LYS 93.A N LYS 89.A O no hydrogen 2.910 N/A ALA 94.A N GLU 90.A O no hydrogen 2.705 N/A ASN 95.A N LEU 92.A O no hydrogen 3.193 N/A ASN 95.A ND2 ASP 255.A O no hydrogen 2.499 N/A ASN 96.A ND2 GLU 99.A OE2 no hydrogen 3.361 N/A VAL 101.A N TYR 97.A O no hydrogen 2.897 N/A TYR 102.A N ASN 98.A O no hydrogen 2.957 N/A LEU 103.A N GLU 99.A O no hydrogen 2.884 N/A VAL 104.A N ALA 100.A O no hydrogen 2.891 N/A ARG 105.A N VAL 101.A O no hydrogen 2.902 N/A ARG 105.A NH1 GLU 292.A OE1 no hydrogen 3.284 N/A PHE 106.A N TYR 102.A O no hydrogen 2.894 N/A LEU 107.A N LEU 103.A O no hydrogen 2.917 N/A SER 108.A N VAL 104.A O no hydrogen 2.879 N/A SER 108.A OG VAL 104.A O no hydrogen 3.138 N/A SER 108.A OG ARG 105.A O no hydrogen 2.363 N/A ASP 109.A N ARG 105.A O no hydrogen 2.909 N/A LEU 110.A N PHE 106.A O no hydrogen 2.923 N/A VAL 111.A N SER 108.A O no hydrogen 3.142 N/A ASN 112.A N ASP 109.A O no hydrogen 3.039 N/A ASN 112.A ND2 ASP 109.A OD1 no hydrogen 2.877 N/A ASN 112.A ND2 TRP 155.A O no hydrogen 2.558 N/A ASN 112.A ND2 TYR 229.A OH no hydrogen 2.850 N/A CYS 113.A SG ASP 109.A O no hydrogen 3.573 N/A HIS 114.A N VAL 111.A O no hydrogen 3.044 N/A VAL 115.A N LEU 110.A O no hydrogen 3.157 N/A ALA 117.A N HIS 242.A O no hydrogen 2.560 N/A SER 120.A OG ALA 117.A O no hydrogen 2.811 N/A VAL 122.A N ALA 118.A O no hydrogen 2.887 N/A ALA 123.A N PRO 119.A O no hydrogen 2.936 N/A MET 124.A N SER 120.A O no hydrogen 2.925 N/A PHE 125.A N MET 121.A O no hydrogen 2.902 N/A GLU 126.A N VAL 122.A O no hydrogen 2.851 N/A ASN 127.A N ALA 123.A O no hydrogen 2.948 N/A PHE 128.A N MET 124.A O no hydrogen 2.945 N/A VAL 129.A N PHE 125.A O no hydrogen 2.921 N/A SER 130.A N GLU 126.A O no hydrogen 2.843 N/A VAL 131.A N ASN 127.A O no hydrogen 2.968 N/A VAL 131.A N PHE 128.A O no hydrogen 3.289 N/A THR 132.A N VAL 129.A O no hydrogen 2.851 N/A THR 132.A OG1 VAL 129.A O no hydrogen 2.513 N/A GLN 133.A N SER 130.A O no hydrogen 2.783 N/A GLU 134.A N VAL 131.A O no hydrogen 3.259 N/A GLN 139.A N ALA 748.A OXT no hydrogen 3.138 N/A GLN 139.A NE2 ASP 143.A OD2 no hydrogen 2.933 N/A ARG 141.A NH1 GLU 134.A OE1 no hydrogen 2.776 N/A ARG 141.A NH2 PRO 250.A O no hydrogen 3.130 N/A ASP 143.A N GLN 139.A O no hydrogen 2.903 N/A TRP 144.A N VAL 140.A O no hydrogen 2.888 N/A TYR 145.A N ARG 141.A O no hydrogen 2.938 N/A VAL 146.A N ARG 142.A O no hydrogen 2.968 N/A TYR 147.A N ASP 143.A O no hydrogen 2.851 N/A ALA 148.A N TRP 144.A O no hydrogen 2.857 N/A PHE 149.A N TYR 145.A O no hydrogen 3.012 N/A LEU 150.A N VAL 146.A O no hydrogen 2.904 N/A SER 151.A N TYR 147.A O no hydrogen 2.846 N/A SER 151.A OG TYR 147.A O no hydrogen 2.517 N/A SER 151.A OG ALA 148.A O no hydrogen 2.952 N/A SER 152.A N ALA 148.A O no hydrogen 2.951 N/A SER 152.A OG ALA 148.A O no hydrogen 2.494 N/A SER 152.A OG PHE 149.A O no hydrogen 2.539 N/A LEU 153.A N PHE 149.A O no hydrogen 2.984 N/A TRP 155.A N SER 152.A O no hydrogen 3.019 N/A VAL 156.A N LEU 153.A O no hydrogen 3.191 N/A GLY 157.A N LEU 153.A O no hydrogen 2.849 N/A LEU 160.A N VAL 156.A O no hydrogen 2.943 N/A TYR 161.A N GLY 157.A O no hydrogen 2.882 N/A TYR 161.A OH ASP 169.A OD1 no hydrogen 3.349 N/A GLU 162.A N LYS 158.A O no hydrogen 2.912 N/A LYS 163.A N GLU 159.A O no hydrogen 2.940 N/A LYS 164.A N LEU 160.A O no hydrogen 2.907 N/A MET 168.A N LYS 164.A O no hydrogen 2.921 N/A ASP 169.A N ASP 165.A O no hydrogen 2.875 N/A ARG 170.A N ALA 166.A O no hydrogen 2.962 N/A ARG 170.A NE GLU 167.A OE1 no hydrogen 2.863 N/A ARG 170.A NH2 GLU 167.A OE1 no hydrogen 3.056 N/A ILE 171.A N GLU 167.A O no hydrogen 2.898 N/A PHE 172.A N MET 168.A O no hydrogen 2.877 N/A ALA 173.A N ASP 169.A O no hydrogen 2.895 N/A ASN 174.A N ARG 170.A O no hydrogen 2.969 N/A THR 175.A N ILE 171.A O no hydrogen 2.895 N/A THR 175.A OG1 ILE 171.A O no hydrogen 3.358 N/A GLU 176.A N PHE 172.A O no hydrogen 2.878 N/A SER 177.A N ALA 173.A O no hydrogen 2.907 N/A TYR 178.A N ASN 174.A O no hydrogen 2.941 N/A TYR 178.A OH ASP 143.A OD1 no hydrogen 2.445 N/A LEU 179.A N THR 175.A O no hydrogen 2.897 N/A LYS 180.A N GLU 176.A O no hydrogen 2.931 N/A ARG 181.A N TYR 178.A O no hydrogen 3.092 N/A ARG 181.A NH2 THR 132.A O no hydrogen 3.447 N/A ARG 182.A NH1 GLU 203.A OE1 no hydrogen 2.376 N/A ARG 182.A NH2 GLU 203.A OE2 no hydrogen 2.506 N/A GLN 183.A N GLN 139.A OE1 no hydrogen 3.093 N/A LYS 184.A NZ ASP 206.A OD2 no hydrogen 3.239 N/A VAL 187.A N LYS 184.A O no hydrogen 3.157 N/A LEU 190.A N VAL 187.A O no hydrogen 2.853 N/A GLN 191.A N VAL 187.A O no hydrogen 2.963 N/A GLN 191.A NE2 GLN 201.A O no hydrogen 2.717 N/A THR 194.A N THR 380.A O no hydrogen 3.376 N/A GLN 201.A NE2 ARG 266.A O no hydrogen 2.738 N/A TYR 204.A N ARG 262.A O no hydrogen 3.053 N/A CYS 207.A N GLU 203.A O no hydrogen 2.884 N/A CYS 207.A SG GLU 202.A OE1 no hydrogen 3.489 N/A LEU 208.A N TYR 204.A O no hydrogen 2.913 N/A TRP 209.A N LEU 205.A O no hydrogen 2.881 N/A ALA 210.A N ASP 206.A O no hydrogen 2.944 N/A GLN 211.A N CYS 207.A O no hydrogen 2.943 N/A GLN 211.A NE2 SER 282.A O no hydrogen 3.422 N/A ILE 212.A N LEU 208.A O no hydrogen 2.885 N/A GLN 213.A N TRP 209.A O no hydrogen 2.922 N/A LYS 214.A N ALA 210.A O no hydrogen 2.929 N/A LYS 214.A NZ SER 284.A OG no hydrogen 3.285 N/A LEU 215.A N GLN 211.A O no hydrogen 2.907 N/A LYS 216.A N ILE 212.A O no hydrogen 2.872 N/A LYS 216.A NZ ASP 169.A OD1 no hydrogen 3.009 N/A LYS 217.A N GLN 213.A O no hydrogen 2.905 N/A ASP 218.A N LYS 214.A O no hydrogen 3.033 N/A ARG 219.A N LYS 216.A O no hydrogen 3.142 N/A TRP 220.A N LEU 215.A O no hydrogen 2.871 N/A GLN 221.A N ASP 218.A O no hydrogen 3.168 N/A GLN 221.A NE2 ARG 219.A O no hydrogen 3.095 N/A ARG 223.A NH1 GLU 286.A OE1 no hydrogen 2.596 N/A HIS 224.A NE2 TYR 315.A OH no hydrogen 2.695 N/A ARG 227.A NE TYR 229.A OH no hydrogen 2.516 N/A LEU 230.A N ARG 227.A O no hydrogen 3.111 N/A ALA 231.A N PRO 228.A O no hydrogen 2.908 N/A PHE 232.A N TYR 229.A O no hydrogen 2.912 N/A ASP 233.A N LEU 230.A O no hydrogen 2.921 N/A LEU 236.A N PHE 232.A O no hydrogen 3.070 N/A CYS 237.A N SER 234.A O no hydrogen 3.064 N/A GLN 241.A NE2 HIS 114.A ND1 no hydrogen 3.466 N/A HIS 242.A N VAL 115.A O no hydrogen 2.610 N/A LEU 244.A N SER 120.A OG no hydrogen 3.417 N/A HIS 252.A ND1 TYR 258.A OH no hydrogen 2.461 N/A THR 253.A OG1 ASP 255.A OD1 no hydrogen 2.841 N/A ASP 255.A N THR 253.A OG1 no hydrogen 3.370 N/A SER 256.A N THR 253.A O no hydrogen 2.758 N/A SER 256.A OG THR 253.A O no hydrogen 2.732 N/A SER 256.A OG TYR 258.A OH no hydrogen 2.785 N/A TYR 258.A OH HIS 252.A ND1 no hydrogen 2.461 N/A TYR 258.A OH SER 256.A OG no hydrogen 2.785 N/A ILE 264.A N GLU 202.A O no hydrogen 3.111 N/A ARG 266.A NE SER 282.A OG no hydrogen 2.510 N/A ARG 266.A NH1 GLU 329.A OE2 no hydrogen 3.304 N/A MET 267.A N GLU 329.A OE2 no hydrogen 3.464 N/A TYR 270.A N ASP 269.A OD1 no hydrogen 2.734 N/A ASP 272.A N ASP 269.A O no hydrogen 2.972 N/A ASP 273.A N TYR 270.A O no hydrogen 3.283 N/A GLU 275.A N ASP 273.A OD1 no hydrogen 3.309 N/A GLY 276.A N ASP 273.A OD1 no hydrogen 2.971 N/A SER 284.A N GLY 281.A O no hydrogen 3.252 N/A ARG 287.A N SER 284.A O no hydrogen 2.921 N/A ARG 287.A NH1 PRO 280.A O no hydrogen 2.562 N/A ARG 287.A NH2 PHE 268.A O no hydrogen 3.019 N/A ARG 287.A NH2 GLU 329.A OE1 no hydrogen 3.165 N/A ARG 287.A NH2 GLU 329.A OE2 no hydrogen 3.414 N/A VAL 289.A N VAL 285.A O no hydrogen 2.923 N/A ILE 290.A N GLU 286.A O no hydrogen 2.917 N/A GLU 291.A N ARG 287.A O no hydrogen 2.894 N/A GLU 292.A N PHE 288.A O no hydrogen 2.903 N/A ASN 293.A N VAL 289.A O no hydrogen 2.917 N/A LEU 294.A N ILE 290.A O no hydrogen 2.937 N/A HIS 295.A N GLU 291.A O no hydrogen 2.902 N/A HIS 295.A ND1 GLU 334.A OE2 no hydrogen 2.903 N/A CYS 296.A N GLU 292.A O no hydrogen 2.911 N/A CYS 296.A SG TYR 102.A OH no hydrogen 3.643 N/A CYS 296.A SG GLU 292.A O no hydrogen 3.279 N/A CYS 296.A SG GLU 292.A OE1 no hydrogen 3.475 N/A ILE 297.A N ASN 293.A O no hydrogen 2.895 N/A ILE 298.A N LEU 294.A O no hydrogen 2.935 N/A LYS 299.A N HIS 295.A O no hydrogen 2.904 N/A LYS 299.A NZ TYR 102.A OH no hydrogen 3.434 N/A SER 300.A N CYS 296.A O no hydrogen 2.899 N/A SER 300.A OG GLU 57.A OE1 no hydrogen 3.308 N/A SER 300.A OG GLU 57.A OE2 no hydrogen 3.501 N/A SER 300.A OG CYS 296.A O no hydrogen 3.309 N/A HIS 301.A N ILE 297.A O no hydrogen 3.204 N/A CYS 308.A N GLU 304.A O no hydrogen 3.162 N/A ALA 309.A N ARG 305.A O no hydrogen 2.896 N/A ALA 310.A N LYS 306.A O no hydrogen 2.931 N/A GLN 311.A N THR 307.A O no hydrogen 2.902 N/A LEU 312.A N CYS 308.A O no hydrogen 2.890 N/A VAL 313.A N ALA 309.A O no hydrogen 2.941 N/A SER 314.A N ALA 310.A O no hydrogen 3.175 N/A SER 314.A OG ALA 310.A O no hydrogen 2.424 N/A SER 314.A OG GLN 311.A O no hydrogen 3.547 N/A TYR 315.A OH HIS 224.A NE2 no hydrogen 2.695 N/A TYR 315.A OH ASN 293.A OD1 no hydrogen 2.780 N/A LYS 318.A N HIS 224.A O no hydrogen 2.920 N/A LYS 318.A NZ GLU 222.A O no hydrogen 3.249 N/A HIS 326.A N PRO 322.A O no hydrogen 3.169 N/A ILE 327.A N LEU 323.A O no hydrogen 2.884 N/A VAL 328.A N ASN 324.A O no hydrogen 2.952 N/A GLU 329.A N TYR 325.A O no hydrogen 2.892 N/A VAL 330.A N HIS 326.A O no hydrogen 2.918 N/A ILE 331.A N ILE 327.A O no hydrogen 2.930 N/A PHE 332.A N VAL 328.A O no hydrogen 2.936 N/A ALA 333.A N GLU 329.A O no hydrogen 2.843 N/A GLU 334.A N VAL 330.A O no hydrogen 2.895 N/A LEU 335.A N ILE 331.A O no hydrogen 2.927 N/A PHE 336.A N PHE 332.A O no hydrogen 2.860 N/A GLN 337.A NE2 ALA 340.A O no hydrogen 3.079 N/A HIS 343.A N TYR 348.A OH no hydrogen 2.943 N/A TYR 348.A OH GLU 334.A OE1 no hydrogen 3.019 N/A THR 349.A N ASP 345.A O no hydrogen 3.049 N/A THR 350.A N VAL 346.A O no hydrogen 2.961 N/A THR 350.A OG1 VAL 346.A O no hydrogen 2.682 N/A LEU 351.A N MET 347.A O no hydrogen 2.815 N/A LEU 352.A N TYR 348.A O no hydrogen 2.941 N/A ILE 353.A N THR 349.A O no hydrogen 2.977 N/A GLU 354.A N THR 350.A O no hydrogen 2.881 N/A LEU 355.A N LEU 351.A O no hydrogen 2.859 N/A CYS 356.A N LEU 352.A O no hydrogen 2.927 N/A CYS 356.A SG LEU 352.A O no hydrogen 3.304 N/A LYS 357.A N ILE 353.A O no hydrogen 2.937 N/A LEU 358.A N GLU 354.A O no hydrogen 2.890 N/A GLN 359.A N LEU 355.A O no hydrogen 2.989 N/A LEU 363.A N GLN 359.A O no hydrogen 3.302 N/A VAL 366.A N SER 362.A O no hydrogen 3.349 N/A LEU 367.A N LEU 363.A O no hydrogen 2.850 N/A ALA 368.A N PRO 364.A O no hydrogen 2.922 N/A GLN 369.A N GLN 365.A O no hydrogen 2.910 N/A GLN 369.A NE2 TYR 325.A OH no hydrogen 3.379 N/A ALA 370.A N VAL 366.A O no hydrogen 2.846 N/A THR 371.A N LEU 367.A O no hydrogen 2.883 N/A THR 371.A OG1 LEU 367.A O no hydrogen 3.279 N/A GLU 372.A N ALA 368.A O no hydrogen 2.955 N/A MET 373.A N GLN 369.A O no hydrogen 2.933 N/A LEU 374.A N ALA 370.A O no hydrogen 2.865 N/A TYR 375.A N THR 371.A O no hydrogen 2.900 N/A MET 376.A N GLU 372.A O no hydrogen 2.898 N/A ARG 377.A N MET 373.A O no hydrogen 3.169 N/A ARG 377.A NH1 MET 267.A O no hydrogen 3.203 N/A LEU 378.A N TYR 375.A O no hydrogen 3.082 N/A MET 381.A N LEU 378.A O no hydrogen 3.427 N/A ASN 382.A N VAL 192.A O no hydrogen 2.754 N/A ASN 382.A ND2 GLN 191.A O no hydrogen 2.906 N/A THR 383.A N GLU 703.A OE2 no hydrogen 3.106 N/A CYS 385.A SG PHE 336.A O no hydrogen 3.338 N/A VAL 386.A N ASN 382.A O no hydrogen 2.572 N/A ASP 387.A N THR 383.A O no hydrogen 2.896 N/A ARG 388.A N THR 384.A O no hydrogen 2.987 N/A ARG 388.A NH1 LEU 335.A O no hydrogen 3.130 N/A ARG 388.A NH1 GLN 337.A O no hydrogen 2.668 N/A ARG 388.A NH2 PRO 339.A O no hydrogen 2.899 N/A PHE 389.A N CYS 385.A O no hydrogen 2.856 N/A ILE 390.A N VAL 386.A O no hydrogen 2.859 N/A ASN 391.A N ASP 387.A O no hydrogen 2.950 N/A ASN 391.A ND2 ASP 387.A O no hydrogen 2.529 N/A TRP 392.A N ARG 388.A O no hydrogen 2.922 N/A PHE 393.A N PHE 389.A O no hydrogen 2.898 N/A SER 394.A N ILE 390.A O no hydrogen 2.913 N/A SER 394.A OG ILE 390.A O no hydrogen 2.282 N/A HIS 395.A N ASN 391.A O no hydrogen 2.980 N/A HIS 396.A N TRP 392.A O no hydrogen 2.878 N/A LEU 397.A N PHE 393.A O no hydrogen 2.922 N/A SER 398.A N SER 394.A O no hydrogen 2.895 N/A ASN 399.A N HIS 395.A O no hydrogen 2.912 N/A ASN 399.A ND2 HIS 395.A O no hydrogen 2.942 N/A PHE 400.A N HIS 396.A O no hydrogen 2.967 N/A PHE 400.A N LEU 397.A O no hydrogen 2.887 N/A PHE 402.A N LEU 397.A O no hydrogen 2.583 N/A ARG 403.A N PHE 400.A O no hydrogen 3.276 N/A ASP 408.A N SER 405.A O no hydrogen 3.227 N/A TRP 409.A N TRP 406.A O no hydrogen 2.908 N/A TRP 409.A NE1 GLU 372.A OE2 no hydrogen 3.003 N/A SER 410.A N GLU 407.A O no hydrogen 2.899 N/A CYS 412.A N TRP 409.A O no hydrogen 2.914 N/A CYS 412.A SG TRP 409.A O no hydrogen 3.296 N/A LEU 413.A N SER 410.A O no hydrogen 3.099 N/A GLN 415.A NE2 ASP 411.A O no hydrogen 3.056 N/A GLU 418.A N ASP 416.A OD2 no hydrogen 3.239 N/A SER 419.A N ASP 416.A O no hydrogen 3.399 N/A LYS 423.A N SER 419.A O no hydrogen 2.915 N/A LYS 423.A NZ ASN 700.A OD1 no hydrogen 2.591 N/A PHE 424.A N PRO 420.A O no hydrogen 2.890 N/A VAL 425.A N LYS 421.A O no hydrogen 2.946 N/A ARG 426.A N PRO 422.A O no hydrogen 2.884 N/A ARG 426.A NH2 PRO 417.A O no hydrogen 2.433 N/A GLU 427.A N LYS 423.A O no hydrogen 2.929 N/A VAL 428.A N PHE 424.A O no hydrogen 2.874 N/A LEU 429.A N VAL 425.A O no hydrogen 2.946 N/A GLU 430.A N ARG 426.A O no hydrogen 2.892 N/A LYS 431.A N GLU 427.A O no hydrogen 2.935 N/A CYS 432.A N VAL 428.A O no hydrogen 2.887 N/A CYS 432.A SG VAL 428.A O no hydrogen 3.209 N/A MET 433.A N LEU 429.A O no hydrogen 2.895 N/A ARG 434.A N GLU 430.A O no hydrogen 2.903 N/A LEU 435.A N LYS 431.A O no hydrogen 2.946 N/A SER 436.A N MET 433.A O no hydrogen 2.896 N/A ARG 440.A N TYR 437.A O no hydrogen 2.975 N/A ILE 441.A N HIS 438.A O no hydrogen 3.194 N/A ASP 443.A N GLN 439.A O no hydrogen 3.267 N/A PHE 449.A N PRO 446.A O no hydrogen 2.746 N/A SER 450.A N PRO 447.A O no hydrogen 3.334 N/A SER 450.A OG PRO 447.A O no hydrogen 3.532 N/A LEU 452.A N PHE 449.A O no hydrogen 2.902 N/A CYS 453.A N SER 450.A O no hydrogen 3.206 N/A THR 458.A N ASN 456.A O no hydrogen 2.977 N/A ILE 460.A N VAL 560.A O no hydrogen 2.994 N/A TYR 461.A OH THR 517.A OG1 no hydrogen 3.248 N/A LYS 462.A NZ GLU 512.A OE2 no hydrogen 2.577 N/A GLU 466.A N ASP 465.A OD1 no hydrogen 2.483 N/A SER 467.A N GLY 464.A O no hydrogen 2.845 N/A SER 467.A OG LYS 462.A O no hydrogen 2.572 N/A ALA 477.A N GLY 473.A O no hydrogen 3.179 N/A LEU 478.A N HIS 474.A O no hydrogen 2.915 N/A CYS 479.A N SER 475.A O no hydrogen 2.917 N/A CYS 479.A SG SER 475.A O no hydrogen 3.258 N/A LEU 480.A N VAL 476.A O no hydrogen 2.883 N/A ALA 481.A N ALA 477.A O no hydrogen 2.897 N/A VAL 482.A N LEU 478.A O no hydrogen 2.961 N/A ALA 483.A N CYS 479.A O no hydrogen 2.912 N/A PHE 484.A N LEU 480.A O no hydrogen 2.853 N/A LYS 485.A N ALA 481.A O no hydrogen 2.954 N/A LYS 485.A NZ ALA 481.A O no hydrogen 2.760 N/A SER 486.A N ALA 483.A O no hydrogen 2.937 N/A LYS 487.A N PHE 484.A O no hydrogen 3.198 N/A ILE 493.A N THR 489.A O no hydrogen 3.058 N/A PHE 494.A N ASN 490.A O no hydrogen 2.901 N/A SER 495.A N ASP 491.A O no hydrogen 2.914 N/A SER 495.A OG GLU 492.A O no hydrogen 2.480 N/A ILE 496.A N GLU 492.A O no hydrogen 2.930 N/A LEU 497.A N ILE 493.A O no hydrogen 2.892 N/A LYS 498.A N SER 495.A O no hydrogen 3.092 N/A VAL 500.A N LYS 498.A O no hydrogen 3.231 N/A ILE 511.A N ASN 507.A O no hydrogen 3.359 N/A GLU 512.A N PRO 508.A O no hydrogen 2.874 N/A VAL 513.A N LEU 509.A O no hydrogen 2.906 N/A PHE 514.A N LYS 510.A O no hydrogen 2.958 N/A VAL 515.A N ILE 511.A O no hydrogen 2.890 N/A GLN 516.A N GLU 512.A O no hydrogen 2.895 N/A THR 517.A N VAL 513.A O no hydrogen 2.979 N/A THR 517.A OG1 TYR 461.A OH no hydrogen 3.248 N/A THR 517.A OG1 VAL 513.A O no hydrogen 2.677 N/A LEU 518.A N PHE 514.A O no hydrogen 2.911 N/A LEU 519.A N VAL 515.A O no hydrogen 2.896 N/A HIS 520.A N GLN 516.A O no hydrogen 2.915 N/A LEU 521.A N THR 517.A O no hydrogen 2.946 N/A ALA 522.A N LEU 518.A O no hydrogen 3.095 N/A ALA 523.A N HIS 520.A O no hydrogen 3.227 N/A SER 527.A N SER 525.A OG no hydrogen 3.102 N/A SER 529.A N SER 525.A O no hydrogen 3.181 N/A SER 529.A OG ALA 522.A O no hydrogen 2.749 N/A PHE 530.A N PHE 526.A O no hydrogen 2.888 N/A SER 531.A N SER 527.A O no hydrogen 2.910 N/A SER 531.A OG HIS 528.A O no hydrogen 3.218 N/A ALA 532.A N HIS 528.A O no hydrogen 2.916 N/A LEU 533.A N SER 529.A O no hydrogen 2.883 N/A ALA 534.A N PHE 530.A O no hydrogen 2.916 N/A LYS 535.A N SER 531.A O no hydrogen 2.895 N/A PHE 536.A N ALA 532.A O no hydrogen 3.233 N/A HIS 537.A N ALA 534.A O no hydrogen 3.199 N/A PHE 540.A N PHE 536.A O no hydrogen 3.281 N/A LYS 541.A N HIS 537.A O no hydrogen 2.924 N/A THR 542.A N GLU 538.A O no hydrogen 2.914 N/A THR 542.A OG1 GLU 538.A O no hydrogen 3.312 N/A THR 542.A OG1 GLU 538.A OE2 no hydrogen 3.104 N/A LEU 543.A N VAL 539.A O no hydrogen 2.899 N/A ALA 544.A N PHE 540.A O no hydrogen 2.673 N/A SER 546.A OG GLU 548.A OE2 no hydrogen 3.466 N/A GLU 548.A N GLU 548.A OE2 no hydrogen 2.606 N/A GLY 549.A N SER 546.A OG no hydrogen 3.203 N/A LYS 550.A N SER 546.A O no hydrogen 3.227 N/A LYS 550.A NZ ASP 582.A OD1 no hydrogen 2.966 N/A LYS 550.A NZ ASP 582.A OD2 no hydrogen 3.468 N/A LEU 551.A N ASP 547.A O no hydrogen 2.939 N/A HIS 552.A N GLU 548.A O no hydrogen 2.878 N/A VAL 553.A N GLY 549.A O no hydrogen 2.892 N/A LEU 554.A N LYS 550.A O no hydrogen 2.969 N/A ARG 555.A N LEU 551.A O no hydrogen 2.891 N/A ARG 555.A NH2 HIS 552.A ND1 no hydrogen 3.323 N/A VAL 556.A N HIS 552.A O no hydrogen 2.883 N/A MET 557.A N VAL 553.A O no hydrogen 2.916 N/A PHE 558.A N LEU 554.A O no hydrogen 2.916 N/A GLU 559.A N ARG 555.A O no hydrogen 2.899 N/A VAL 560.A N VAL 556.A O no hydrogen 2.918 N/A TRP 561.A N MET 557.A O no hydrogen 2.922 N/A ILE 568.A N HIS 564.A O no hydrogen 3.146 N/A ALA 569.A N PRO 565.A O no hydrogen 2.929 N/A VAL 570.A N GLN 566.A O no hydrogen 2.941 N/A LEU 571.A N MET 567.A O no hydrogen 2.873 N/A VAL 572.A N ILE 568.A O no hydrogen 2.910 N/A ASP 573.A N ALA 569.A O no hydrogen 2.920 N/A LYS 574.A N VAL 570.A O no hydrogen 2.956 N/A MET 575.A N LEU 571.A O no hydrogen 2.872 N/A ILE 576.A N VAL 572.A O no hydrogen 2.917 N/A ARG 577.A N ASP 573.A O no hydrogen 2.952 N/A ARG 577.A NE ASP 573.A OD1 no hydrogen 2.898 N/A THR 578.A N LYS 574.A O no hydrogen 2.901 N/A THR 578.A OG1 LYS 574.A O no hydrogen 3.115 N/A GLN 579.A N ILE 576.A O no hydrogen 3.052 N/A ILE 580.A N MET 575.A O no hydrogen 2.915 N/A CYS 583.A SG THR 611.A O no hydrogen 4.013 N/A VAL 586.A N ASP 582.A O no hydrogen 3.406 N/A ALA 587.A N CYS 583.A O no hydrogen 2.908 N/A ASN 588.A N ALA 584.A O no hydrogen 2.911 N/A TRP 589.A N ALA 585.A O no hydrogen 2.892 N/A ILE 590.A N VAL 586.A O no hydrogen 2.920 N/A SER 592.A N TRP 589.A O no hydrogen 3.080 N/A SER 592.A OG TRP 589.A O no hydrogen 3.050 N/A GLU 594.A N SER 592.A OG no hydrogen 3.285 N/A LEU 595.A N SER 592.A O no hydrogen 3.105 N/A SER 596.A N SER 593.A O no hydrogen 3.217 N/A SER 596.A OG SER 593.A O no hydrogen 3.119 N/A ARG 597.A NE SER 596.A OG no hydrogen 2.792 N/A ARG 597.A NH2 SER 596.A OG no hydrogen 2.974 N/A PHE 599.A N SER 596.A O no hydrogen 3.412 N/A ARG 601.A N ASP 598.A O no hydrogen 3.208 N/A ARG 601.A NH2 GLU 430.A OE1 no hydrogen 2.949 N/A LEU 602.A N GLU 427.A OE2 no hydrogen 2.813 N/A GLU 606.A N LEU 602.A O no hydrogen 2.904 N/A ILE 607.A N PHE 603.A O no hydrogen 2.891 N/A LEU 608.A N VAL 604.A O no hydrogen 2.968 N/A HIS 609.A N TRP 605.A O no hydrogen 2.913 N/A SER 610.A N GLU 606.A O no hydrogen 2.875 N/A THR 611.A N ILE 607.A O no hydrogen 2.931 N/A THR 611.A OG1 ILE 607.A O no hydrogen 3.556 N/A THR 611.A OG1 LEU 608.A O no hydrogen 2.511 N/A ILE 612.A N LEU 608.A O no hydrogen 2.985 N/A ARG 613.A N HIS 609.A O no hydrogen 2.870 N/A LYS 614.A N SER 610.A O no hydrogen 2.878 N/A LYS 614.A NZ SER 610.A OG no hydrogen 3.009 N/A MET 615.A N THR 611.A O no hydrogen 2.981 N/A ASN 616.A N ILE 612.A O no hydrogen 2.917 N/A LYS 617.A N ARG 613.A O no hydrogen 2.879 N/A HIS 618.A N LYS 614.A O no hydrogen 2.929 N/A VAL 619.A N MET 615.A O no hydrogen 2.966 N/A LEU 620.A N ASN 616.A O no hydrogen 2.922 N/A LYS 621.A N LYS 617.A O no hydrogen 2.866 N/A ILE 622.A N HIS 618.A O no hydrogen 2.991 N/A GLN 623.A N VAL 619.A O no hydrogen 2.931 N/A LYS 624.A N LEU 620.A O no hydrogen 2.879 N/A GLU 625.A N LYS 621.A O no hydrogen 2.952 N/A LEU 626.A N ILE 622.A O no hydrogen 2.951 N/A GLU 627.A N GLN 623.A O no hydrogen 2.887 N/A GLU 628.A N LYS 624.A O no hydrogen 2.894 N/A ALA 629.A N GLU 625.A O no hydrogen 2.948 N/A LYS 630.A N LEU 626.A O no hydrogen 2.916 N/A GLU 631.A N GLU 627.A O no hydrogen 2.881 N/A LYS 632.A N GLU 628.A O no hydrogen 2.937 N/A LEU 633.A N ALA 629.A O no hydrogen 2.914 N/A ALA 634.A N LYS 630.A O no hydrogen 2.920 N/A ARG 635.A N GLU 631.A O no hydrogen 2.911 N/A GLN 636.A N LYS 632.A O no hydrogen 2.916 N/A HIS 637.A N LEU 633.A O no hydrogen 2.888 N/A LYS 638.A N ALA 634.A O no hydrogen 2.924 N/A ARG 639.A N ARG 635.A O no hydrogen 2.937 N/A ARG 639.A NH1 ASP 643.A OD2 no hydrogen 3.256 N/A ARG 640.A N GLN 636.A O no hydrogen 2.908 N/A SER 641.A N HIS 637.A O no hydrogen 2.916 N/A SER 641.A OG HIS 637.A O no hydrogen 2.689 N/A SER 641.A OG LYS 638.A O no hydrogen 2.930 N/A ASP 642.A N LYS 638.A O no hydrogen 2.905 N/A GLU 648.A N GLY 644.A O no hydrogen 3.286 N/A GLN 649.A N VAL 645.A O no hydrogen 2.909 N/A ILE 650.A N LEU 646.A O no hydrogen 2.893 N/A GLU 651.A N GLU 647.A O no hydrogen 2.915 N/A ARG 652.A N GLU 648.A O no hydrogen 2.907 N/A LEU 653.A N GLN 649.A O no hydrogen 2.900 N/A GLN 654.A N ILE 650.A O no hydrogen 2.900 N/A GLU 655.A N GLU 651.A O no hydrogen 2.917 N/A LYS 656.A N ARG 652.A O no hydrogen 2.910 N/A VAL 657.A N LEU 653.A O no hydrogen 2.899 N/A GLU 658.A N GLN 654.A O no hydrogen 2.921 N/A SER 659.A N GLU 655.A O no hydrogen 2.933 N/A ALA 660.A N LYS 656.A O no hydrogen 2.916 N/A GLN 661.A N VAL 657.A O no hydrogen 2.897 N/A SER 662.A N GLU 658.A O no hydrogen 2.949 N/A GLU 663.A N SER 659.A O no hydrogen 2.899 N/A GLN 664.A N ALA 660.A O no hydrogen 2.939 N/A GLN 664.A NE2 ASN 616.A OD1 no hydrogen 2.326 N/A LYS 665.A N GLN 661.A O no hydrogen 2.928 N/A ASN 666.A N SER 662.A O no hydrogen 2.900 N/A LEU 667.A N GLU 663.A O no hydrogen 2.900 N/A PHE 668.A N GLN 664.A O no hydrogen 3.019 N/A LEU 669.A N LYS 665.A O no hydrogen 2.880 N/A VAL 670.A N ASN 666.A O no hydrogen 2.880 N/A ILE 671.A N LEU 667.A O no hydrogen 2.962 N/A PHE 672.A N PHE 668.A O no hydrogen 2.951 N/A GLN 673.A N LEU 669.A O no hydrogen 2.898 N/A ARG 674.A N VAL 670.A O no hydrogen 2.937 N/A ARG 674.A NH2 PHE 591.A O no hydrogen 3.281 N/A PHE 675.A N ILE 671.A O no hydrogen 2.946 N/A ILE 676.A N PHE 672.A O no hydrogen 2.890 N/A MET 677.A N GLN 673.A O no hydrogen 2.908 N/A ILE 678.A N ARG 674.A O no hydrogen 2.939 N/A LEU 679.A N PHE 675.A O no hydrogen 2.951 N/A THR 680.A N ILE 676.A O no hydrogen 2.877 N/A GLU 681.A N MET 677.A O no hydrogen 2.915 N/A HIS 682.A N ILE 678.A O no hydrogen 2.999 N/A LEU 683.A N LEU 679.A O no hydrogen 2.902 N/A VAL 684.A N THR 680.A O no hydrogen 2.897 N/A ARG 685.A N GLU 681.A O no hydrogen 2.944 N/A CYS 686.A N HIS 682.A O no hydrogen 2.891 N/A CYS 686.A SG HIS 682.A NE2 no hydrogen 3.107 N/A CYS 686.A SG HIS 682.A O no hydrogen 3.657 N/A CYS 686.A SG SER 692.A O no hydrogen 3.294 N/A GLU 687.A N LEU 683.A O no hydrogen 2.899 N/A THR 688.A N VAL 684.A O no hydrogen 2.936 N/A ASP 689.A N ARG 685.A O no hydrogen 2.904 N/A THR 691.A N CYS 686.A O no hydrogen 3.331 N/A THR 691.A OG1 SER 692.A O no hydrogen 3.431 N/A LYS 699.A N THR 695.A O no hydrogen 2.880 N/A LYS 699.A NZ MET 381.A O no hydrogen 3.567 N/A ASN 700.A N PRO 696.A O no hydrogen 2.926 N/A CYS 701.A N TRP 697.A O no hydrogen 2.919 N/A ILE 702.A N TYR 698.A O no hydrogen 2.915 N/A GLU 703.A N LYS 699.A O no hydrogen 2.909 N/A ARG 704.A N ASN 700.A O no hydrogen 2.889 N/A ARG 704.A NH1 ASP 387.A OD2 no hydrogen 2.387 N/A ARG 704.A NH1 GLN 707.A OE1 no hydrogen 2.691 N/A LEU 705.A N CYS 701.A O no hydrogen 2.969 N/A GLN 706.A N ILE 702.A O no hydrogen 2.937 N/A GLN 707.A N GLU 703.A O no hydrogen 2.836 N/A GLN 707.A NE2 GLN 711.A OE1 no hydrogen 3.520 N/A ILE 708.A N ARG 704.A O no hydrogen 2.929 N/A PHE 709.A N LEU 705.A O no hydrogen 3.033 N/A LEU 710.A N GLN 706.A O no hydrogen 2.844 N/A GLN 711.A N GLN 707.A O no hydrogen 2.885 N/A HIS 712.A N ILE 708.A O no hydrogen 2.999 N/A ILE 715.A N HIS 712.A O no hydrogen 3.196 N/A ILE 716.A N HIS 712.A O no hydrogen 2.887 N/A GLN 717.A N HIS 713.A O no hydrogen 2.935 N/A LEU 723.A N TYR 719.A O no hydrogen 2.894 N/A GLU 724.A N MET 720.A O no hydrogen 2.919 N/A ASN 725.A N VAL 721.A O no hydrogen 2.938 N/A LEU 726.A N THR 722.A O no hydrogen 2.896 N/A PHE 728.A N LEU 723.A O no hydrogen 2.909 N/A LEU 732.A N THR 729.A O no hydrogen 3.162 N/A HIS 735.A N ASP 733.A OD1 no hydrogen 2.567 N/A HIS 735.A ND1 TYR 698.A OH no hydrogen 3.042 N/A LEU 737.A N ASP 733.A O no hydrogen 3.013 N/A ALA 738.A N PRO 734.A O no hydrogen 2.902 N/A VAL 739.A N ILE 736.A O no hydrogen 3.157 N/A GLN 741.A N LEU 737.A O no hydrogen 2.918 N/A GLN 742.A N ALA 738.A O no hydrogen 2.886 N/A PHE 743.A N VAL 739.A O no hydrogen 2.938 N/A CYS 744.A N PHE 740.A O no hydrogen 2.868 N/A CYS 744.A SG PHE 740.A O no hydrogen 3.450 N/A ALA 745.A N GLN 741.A O no hydrogen 2.923 N/A LEU 746.A N PHE 743.A O no hydrogen 3.136 N/A GLN 747.A NE2 TYR 258.A O no hydrogen 3.428 N/A