Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8jze_a.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N PHE 2.A O no hydrogen 3.026 N/A TRP 10.A N THR 7.A O no hydrogen 2.882 N/A ALA 13.A N ALA 11.A O no hydrogen 3.030 N/A HIS 15.A ND1 LYS 12.A O no hydrogen 3.157 N/A LEU 20.A N ASN 17.A O no hydrogen 3.315 N/A SER 21.A OG LYS 18.A O no hydrogen 2.979 N/A GLY 23.A N LEU 20.A O no hydrogen 3.391 N/A LYS 25.A N GLY 23.A O no hydrogen 2.868 N/A THR 27.A N GLN 633.A O no hydrogen 2.905 N/A THR 27.A OG1 GLN 633.A O no hydrogen 3.468 N/A THR 27.A OG1 ARG 635.A O no hydrogen 3.089 N/A TRP 29.A N THR 26.A O no hydrogen 3.133 N/A TRP 29.A NE1 LEU 20.A O no hydrogen 2.890 N/A ILE 30.A N THR 27.A O no hydrogen 3.155 N/A ASN 32.A N THR 28.A O no hydrogen 2.931 N/A LEU 33.A N TRP 29.A O no hydrogen 2.861 N/A HIS 34.A N ILE 30.A O no hydrogen 2.987 N/A HIS 34.A ND1 ILE 30.A O no hydrogen 2.684 N/A ASP 35.A N TRP 31.A O no hydrogen 2.868 N/A TYR 36.A N ASN 32.A O no hydrogen 2.930 N/A ASP 39.A N TYR 36.A O no hydrogen 3.350 N/A PHE 40.A N HIS 38.A O no hydrogen 2.899 N/A ILE 42.A N ASP 39.A OD1 no hydrogen 3.431 N/A GLN 43.A N PHE 40.A O no hydrogen 3.395 N/A GLN 43.A NE2 TYR 36.A O no hydrogen 2.625 N/A GLN 43.A NE2 ALA 37.A O no hydrogen 2.739 N/A GLN 44.A N PHE 16.A O no hydrogen 2.761 N/A ALA 51.A N THR 47.A O no hydrogen 3.191 N/A ARG 52.A N GLY 48.A O no hydrogen 2.958 N/A LYS 53.A N LEU 49.A O no hydrogen 2.855 N/A LYS 53.A NZ GLN 43.A OE1 no hydrogen 2.404 N/A VAL 54.A N ILE 50.A O no hydrogen 2.919 N/A PHE 55.A N ALA 51.A O no hydrogen 2.958 N/A SER 56.A N ARG 52.A O no hydrogen 2.928 N/A SER 56.A OG SER 158.A O no hydrogen 2.321 N/A SER 56.A OG SER 158.A OG no hydrogen 2.451 N/A SER 57.A N LYS 53.A O no hydrogen 2.862 N/A SER 57.A OG LYS 53.A O no hydrogen 2.602 N/A ASN 58.A N VAL 54.A O no hydrogen 2.938 N/A LEU 59.A N PHE 55.A O no hydrogen 2.985 N/A ALA 60.A N SER 56.A O no hydrogen 2.877 N/A HIS 61.A N SER 57.A O no hydrogen 2.918 N/A LEU 62.A N ASN 58.A O no hydrogen 2.927 N/A SER 63.A N LEU 59.A O no hydrogen 2.915 N/A SER 63.A OG ALA 60.A O no hydrogen 2.471 N/A LEU 64.A N ALA 60.A O no hydrogen 2.933 N/A VAL 65.A N HIS 61.A O no hydrogen 2.920 N/A PHE 66.A N LEU 62.A O no hydrogen 2.938 N/A PHE 67.A N SER 63.A O no hydrogen 2.868 N/A TRP 68.A N LEU 64.A O no hydrogen 2.944 N/A ILE 69.A N VAL 65.A O no hydrogen 2.925 N/A SER 70.A N PHE 66.A O no hydrogen 2.878 N/A SER 70.A OG PHE 66.A O no hydrogen 3.481 N/A SER 70.A OG PHE 67.A O no hydrogen 2.456 N/A GLY 71.A N PHE 67.A O no hydrogen 2.894 N/A MET 72.A N TRP 68.A O no hydrogen 2.977 N/A HIS 73.A N ILE 69.A O no hydrogen 2.910 N/A HIS 73.A ND1 TYR 129.A OH no hydrogen 2.995 N/A LEU 74.A N SER 70.A O no hydrogen 2.895 N/A HIS 75.A N GLY 71.A O no hydrogen 2.914 N/A HIS 75.A ND1 SER 96.A O no hydrogen 3.111 N/A GLY 76.A N MET 72.A O no hydrogen 2.967 N/A ALA 77.A N LEU 74.A O no hydrogen 3.114 N/A TYR 78.A N LEU 74.A O no hydrogen 2.882 N/A LEU 79.A N HIS 75.A O no hydrogen 2.825 N/A SER 80.A OG GLY 76.A O no hydrogen 2.756 N/A ASN 81.A N SER 95.A O no hydrogen 3.086 N/A ASN 81.A ND2 THR 93.A O no hydrogen 3.219 N/A TYR 82.A N SER 80.A OG no hydrogen 3.120 N/A TYR 82.A OH ILE 134.A O no hydrogen 2.440 N/A TRP 85.A N ASN 81.A O no hydrogen 3.086 N/A LEU 86.A N TYR 82.A O no hydrogen 2.878 N/A LYS 87.A N ASP 83.A O no hydrogen 2.963 N/A LYS 87.A NZ ASP 83.A O no hydrogen 3.478 N/A ASP 88.A N ILE 84.A O no hydrogen 2.777 N/A LYS 90.A NZ ASP 435.A OD2 no hydrogen 3.238 N/A SER 91.A OG ASP 88.A OD1 no hydrogen 3.565 N/A SER 91.A OG ASP 88.A OD2 no hydrogen 2.928 N/A THR 93.A OG1 THR 120.A OG1 no hydrogen 3.168 N/A SER 95.A OG ILE 119.A O no hydrogen 2.923 N/A SER 101.A OG ASP 106.A OD1 no hydrogen 2.647 N/A GLN 105.A N LEU 102.A O no hydrogen 2.543 N/A GLN 105.A NE2 TYR 100.A O no hydrogen 3.529 N/A ILE 107.A N GLY 104.A O no hydrogen 2.849 N/A LEU 108.A N GLN 105.A O no hydrogen 2.814 N/A ASN 109.A ND2 ALA 99.A O no hydrogen 2.955 N/A SER 110.A N GLY 118.A O no hydrogen 3.132 N/A SER 110.A OG GLY 118.A O no hydrogen 3.479 N/A THR 112.A N PHE 116.A O no hydrogen 3.457 N/A THR 112.A OG1 PHE 116.A O no hydrogen 3.499 N/A SER 113.A N PHE 116.A O no hydrogen 3.244 N/A PHE 116.A N SER 113.A O no hydrogen 3.253 N/A GLY 118.A N SER 110.A O no hydrogen 3.058 N/A ILE 119.A N HIS 97.A O no hydrogen 2.755 N/A THR 120.A OG1 THR 93.A OG1 no hydrogen 3.168 N/A ILE 121.A N PRO 94.A O no hydrogen 2.907 N/A GLN 127.A N GLN 127.A OE1 no hydrogen 2.840 N/A GLN 127.A NE2 HIS 322.A O no hydrogen 3.638 N/A LEU 128.A N GLY 124.A O no hydrogen 3.175 N/A TYR 129.A N PHE 125.A O no hydrogen 2.868 N/A TYR 129.A OH MET 72.A O no hydrogen 3.403 N/A TYR 129.A OH HIS 73.A ND1 no hydrogen 2.995 N/A ARG 130.A N PHE 126.A O no hydrogen 2.941 N/A ARG 130.A NH1 LEU 86.A O no hydrogen 3.151 N/A SER 131.A N GLN 127.A O no hydrogen 2.898 N/A SER 131.A OG GLN 127.A O no hydrogen 3.083 N/A SER 131.A OG LEU 128.A O no hydrogen 2.680 N/A GLU 132.A N TYR 129.A O no hydrogen 2.900 N/A GLY 133.A N ARG 130.A O no hydrogen 3.094 N/A ILE 134.A N TYR 129.A O no hydrogen 2.994 N/A ILE 135.A N GLN 139.A OE1 no hydrogen 2.486 N/A THR 136.A N GLN 139.A OE1 no hydrogen 3.109 N/A THR 136.A OG1 SER 138.A OG no hydrogen 3.158 N/A SER 138.A OG THR 136.A OG1 no hydrogen 3.158 N/A GLN 139.A N THR 136.A O no hydrogen 3.280 N/A GLN 139.A NE2 GLY 133.A O no hydrogen 3.344 N/A LYS 141.A N GLN 137.A O no hydrogen 2.889 N/A TYR 142.A N SER 138.A O no hydrogen 2.907 N/A ALA 143.A N GLN 139.A O no hydrogen 2.906 N/A CYS 144.A N LEU 140.A O no hydrogen 2.909 N/A CYS 144.A SG SER 70.A O no hydrogen 3.448 N/A ALA 145.A N LYS 141.A O no hydrogen 2.890 N/A THR 146.A N TYR 142.A O no hydrogen 2.877 N/A THR 146.A OG1 TYR 142.A O no hydrogen 2.979 N/A THR 146.A OG1 ALA 143.A O no hydrogen 2.647 N/A SER 147.A N ALA 143.A O no hydrogen 2.941 N/A SER 147.A OG ALA 143.A O no hydrogen 3.095 N/A LEU 148.A N CYS 144.A O no hydrogen 2.903 N/A ILE 149.A N ALA 145.A O no hydrogen 2.902 N/A ALA 150.A N THR 146.A O no hydrogen 2.883 N/A THR 151.A N SER 147.A O no hydrogen 2.890 N/A THR 151.A OG1 SER 63.A O no hydrogen 3.213 N/A THR 151.A OG1 SER 147.A O no hydrogen 3.100 N/A LEU 152.A N LEU 148.A O no hydrogen 2.950 N/A ILE 153.A N ILE 149.A O no hydrogen 2.875 N/A CYS 154.A N ALA 150.A O no hydrogen 2.886 N/A CYS 154.A SG ALA 150.A O no hydrogen 3.231 N/A LEU 155.A N THR 151.A O no hydrogen 2.918 N/A SER 156.A N LEU 152.A O no hydrogen 2.907 N/A SER 156.A OG LEU 152.A O no hydrogen 3.174 N/A SER 156.A OG ILE 153.A O no hydrogen 2.643 N/A GLY 157.A N ILE 153.A O no hydrogen 2.886 N/A SER 158.A N CYS 154.A O no hydrogen 2.909 N/A SER 158.A OG SER 56.A O no hydrogen 2.309 N/A SER 158.A OG SER 56.A OG no hydrogen 2.451 N/A TYR 159.A N LEU 155.A O no hydrogen 2.945 N/A LEU 160.A N SER 156.A O no hydrogen 2.854 N/A HIS 161.A N GLY 157.A O no hydrogen 2.910 N/A GLN 163.A N LEU 160.A O no hydrogen 2.974 N/A LEU 164.A N LEU 160.A O no hydrogen 2.885 N/A MET 165.A N HIS 161.A O no hydrogen 3.388 N/A SER 166.A N THR 169.A OG1 no hydrogen 2.329 N/A THR 169.A N SER 166.A O no hydrogen 3.184 N/A THR 169.A OG1 SER 166.A O no hydrogen 2.869 N/A LYS 173.A N SER 170.A O no hydrogen 3.122 N/A LEU 178.A N LYS 174.A O no hydrogen 2.976 N/A SER 179.A N PHE 175.A O no hydrogen 2.904 N/A SER 179.A OG PHE 175.A O no hydrogen 3.157 N/A SER 179.A OG GLN 176.A O no hydrogen 2.903 N/A GLN 180.A N GLN 176.A O no hydrogen 2.939 N/A GLN 180.A NE2 GLY 271.A O no hydrogen 3.169 N/A ASP 181.A N SER 177.A O no hydrogen 2.924 N/A HIS 182.A N LEU 178.A O no hydrogen 2.896 N/A LEU 183.A N SER 179.A O no hydrogen 2.903 N/A ILE 184.A N GLN 180.A O no hydrogen 2.960 N/A ILE 185.A N ASP 181.A O no hydrogen 2.886 N/A ILE 186.A N HIS 182.A O no hydrogen 2.920 N/A PHE 187.A N HIS 182.A O no hydrogen 3.422 N/A GLY 188.A N LEU 183.A O no hydrogen 3.091 N/A GLY 188.A N ILE 184.A O no hydrogen 2.918 N/A SER 189.A N ILE 184.A O no hydrogen 2.709 N/A ARG 190.A N ILE 186.A O no hydrogen 3.178 N/A SER 191.A OG HIS 260.A O no hydrogen 2.593 N/A THR 192.A N GLY 188.A O no hydrogen 3.254 N/A THR 192.A OG1 GLY 188.A O no hydrogen 3.288 N/A THR 192.A OG1 SER 189.A O no hydrogen 3.417 N/A SER 193.A OG ARG 190.A O no hydrogen 2.427 N/A LEU 194.A N ARG 190.A O no hydrogen 2.938 N/A SER 195.A N SER 191.A O no hydrogen 2.904 N/A SER 195.A OG ALA 257.A O no hydrogen 2.781 N/A ALA 196.A N THR 192.A O no hydrogen 2.873 N/A HIS 197.A N SER 193.A O no hydrogen 2.907 N/A GLN 198.A N LEU 194.A O no hydrogen 2.870 N/A ILE 199.A N SER 195.A O no hydrogen 2.882 N/A HIS 200.A N ALA 196.A O no hydrogen 2.922 N/A LYS 201.A N GLN 198.A O no hydrogen 3.210 N/A MET 202.A N GLN 198.A O no hydrogen 2.828 N/A LEU 203.A N GLN 198.A O no hydrogen 3.238 N/A ALA 205.A N MET 202.A O no hydrogen 2.639 N/A ASN 206.A N MET 202.A O no hydrogen 2.400 N/A ASN 206.A ND2 ARG 130.A O no hydrogen 2.847 N/A LEU 209.A N ALA 205.A O no hydrogen 3.024 N/A ASP 210.A N ASN 206.A O no hydrogen 2.893 N/A SER 211.A N PRO 207.A O no hydrogen 2.641 N/A GLY 212.A N LEU 209.A O no hydrogen 2.986 N/A ILE 213.A N LEU 208.A O no hydrogen 3.183 N/A ILE 218.A N LYS 215.A O no hydrogen 2.733 N/A GLN 220.A N SER 217.A O no hydrogen 2.842 N/A VAL 221.A N PRO 216.A O no hydrogen 3.278 N/A ILE 222.A N PRO 216.A O no hydrogen 3.278 N/A ILE 222.A N ILE 218.A O no hydrogen 3.371 N/A SER 223.A N LEU 219.A O no hydrogen 3.258 N/A ASN 224.A N ILE 222.A O no hydrogen 2.726 N/A LYS 242.A N SER 239.A O no hydrogen 2.935 N/A ASN 245.A N SER 250.A O no hydrogen 2.600 N/A ASN 245.A ND2 ASP 210.A OD2 no hydrogen 2.756 N/A ASN 245.A ND2 THR 248.A OG1 no hydrogen 2.892 N/A THR 248.A OG1 SER 250.A OG no hydrogen 2.947 N/A ARG 249.A N ASN 245.A O no hydrogen 2.830 N/A SER 250.A OG THR 248.A OG1 no hydrogen 2.947 N/A VAL 251.A N PRO 318.A O no hydrogen 2.963 N/A VAL 256.A N PHE 252.A O no hydrogen 3.286 N/A ALA 257.A N LEU 253.A O no hydrogen 2.900 N/A ALA 258.A N SER 254.A O no hydrogen 2.933 N/A HIS 259.A N GLN 255.A O no hydrogen 2.859 N/A HIS 260.A N VAL 256.A O no hydrogen 2.926 N/A LYS 261.A N ALA 257.A O no hydrogen 2.942 N/A THR 262.A N ALA 258.A O no hydrogen 2.915 N/A THR 262.A OG1 ALA 258.A O no hydrogen 2.767 N/A THR 262.A OG1 HIS 259.A O no hydrogen 2.864 N/A THR 263.A N HIS 259.A O no hydrogen 2.854 N/A THR 263.A OG1 HIS 259.A O no hydrogen 2.830 N/A GLY 264.A N HIS 260.A O no hydrogen 2.913 N/A VAL 265.A N LYS 261.A O no hydrogen 2.953 N/A VAL 266.A N THR 262.A O no hydrogen 2.856 N/A PHE 267.A N THR 263.A O no hydrogen 2.881 N/A ILE 268.A N GLY 264.A O no hydrogen 2.928 N/A THR 269.A N VAL 265.A O no hydrogen 2.901 N/A THR 269.A OG1 VAL 265.A O no hydrogen 2.995 N/A THR 269.A OG1 VAL 266.A O no hydrogen 2.598 N/A LEU 270.A N VAL 266.A O no hydrogen 2.850 N/A GLY 271.A N PHE 267.A O no hydrogen 2.909 N/A LEU 272.A N ILE 268.A O no hydrogen 2.954 N/A ILE 273.A N THR 269.A O no hydrogen 2.834 N/A ARG 274.A N LEU 270.A O no hydrogen 2.902 N/A PHE 275.A N LEU 272.A O no hydrogen 3.268 N/A LEU 276.A N ILE 273.A O no hydrogen 2.651 N/A LEU 286.A N GLN 282.A O no hydrogen 2.740 N/A THR 287.A N PHE 283.A O no hydrogen 2.908 N/A THR 287.A OG1 PHE 283.A O no hydrogen 3.343 N/A THR 287.A OG1 SER 284.A O no hydrogen 3.257 N/A SER 288.A N SER 284.A O no hydrogen 2.919 N/A SER 288.A OG SER 284.A O no hydrogen 2.373 N/A TYR 292.A N ASP 291.A OD1 no hydrogen 2.440 N/A HIS 293.A ND1 HIS 351.A ND1 no hydrogen 3.127 N/A HIS 293.A NE2 ASP 41.A OD2 no hydrogen 2.693 N/A VAL 295.A N ASP 291.A O no hydrogen 3.261 N/A LEU 296.A N TYR 292.A O no hydrogen 2.898 N/A SER 297.A N HIS 293.A O no hydrogen 2.882 N/A SER 297.A OG SER 348.A O no hydrogen 2.343 N/A SER 297.A OG SER 348.A OG no hydrogen 2.948 N/A ILE 298.A N ILE 294.A O no hydrogen 2.881 N/A ASN 299.A N VAL 295.A O no hydrogen 2.880 N/A LEU 300.A N LEU 296.A O no hydrogen 2.847 N/A ALA 301.A N SER 297.A O no hydrogen 2.917 N/A LEU 302.A N ILE 298.A O no hydrogen 2.927 N/A ILE 303.A N ASN 299.A O no hydrogen 2.849 N/A ALA 304.A N LEU 300.A O no hydrogen 2.903 N/A SER 305.A N ALA 301.A O no hydrogen 2.928 N/A SER 305.A OG ALA 301.A O no hydrogen 2.681 N/A SER 305.A OG LEU 302.A O no hydrogen 2.622 N/A LEU 306.A N LEU 302.A O no hydrogen 2.906 N/A SER 307.A N ILE 303.A O no hydrogen 2.834 N/A SER 307.A OG HIS 337.A O no hydrogen 2.499 N/A ILE 308.A N ALA 304.A O no hydrogen 2.957 N/A ILE 309.A N SER 305.A O no hydrogen 2.961 N/A VAL 310.A N LEU 306.A O no hydrogen 2.862 N/A ALA 311.A N SER 307.A O no hydrogen 2.860 N/A ASP 312.A N ILE 308.A O no hydrogen 2.968 N/A HIS 313.A N ILE 309.A O no hydrogen 2.869 N/A HIS 313.A N VAL 310.A O no hydrogen 3.244 N/A LEU 314.A N VAL 310.A O no hydrogen 2.881 N/A ARG 316.A NH1 HIS 313.A ND1 no hydrogen 3.366 N/A ARG 316.A NH2 HIS 313.A ND1 no hydrogen 2.983 N/A HIS 322.A N THR 248.A O no hydrogen 2.798 N/A SER 324.A OG ARG 249.A O no hydrogen 3.158 N/A SER 326.A OG THR 329.A OG1 no hydrogen 2.979 N/A TYR 327.A OH ILE 438.A O no hydrogen 2.655 N/A THR 329.A OG1 SER 326.A OG no hydrogen 2.979 N/A ILE 330.A N SER 326.A O no hydrogen 3.051 N/A LEU 331.A N TYR 327.A O no hydrogen 2.915 N/A CYS 332.A N PRO 328.A O no hydrogen 2.917 N/A CYS 332.A SG THR 122.A OG1 no hydrogen 2.726 N/A LEU 333.A N THR 329.A O no hydrogen 2.896 N/A SER 334.A N ILE 330.A O no hydrogen 2.994 N/A ILE 335.A N LEU 331.A O no hydrogen 2.937 N/A HIS 336.A N CYS 332.A O no hydrogen 2.900 N/A HIS 337.A ND1 LEU 333.A O no hydrogen 2.355 N/A ALA 338.A N SER 334.A O no hydrogen 2.981 N/A TRP 339.A N ILE 335.A O no hydrogen 2.937 N/A LEU 340.A N HIS 336.A O no hydrogen 2.966 N/A SER 341.A N HIS 337.A O no hydrogen 2.880 N/A SER 341.A OG ALA 304.A O no hydrogen 2.857 N/A GLY 342.A N ALA 338.A O no hydrogen 3.010 N/A PHE 343.A N TRP 339.A O no hydrogen 2.945 N/A LEU 344.A N LEU 340.A O no hydrogen 2.904 N/A ILE 345.A N SER 341.A O no hydrogen 2.942 N/A ILE 346.A N GLY 342.A O no hydrogen 3.010 N/A GLY 347.A N PHE 343.A O no hydrogen 2.943 N/A SER 348.A N LEU 344.A O no hydrogen 2.894 N/A SER 348.A OG SER 297.A O no hydrogen 2.706 N/A SER 348.A OG SER 297.A OG no hydrogen 2.948 N/A GLY 349.A N ILE 345.A O no hydrogen 3.002 N/A ALA 350.A N ILE 346.A O no hydrogen 2.964 N/A HIS 351.A N GLY 347.A O no hydrogen 2.941 N/A HIS 351.A ND1 HIS 293.A ND1 no hydrogen 3.127 N/A ALA 352.A N SER 348.A O no hydrogen 2.902 N/A SER 353.A N GLY 349.A O no hydrogen 3.017 N/A SER 353.A OG GLY 349.A O no hydrogen 3.212 N/A ILE 354.A N ALA 350.A O no hydrogen 2.932 N/A PHE 355.A N HIS 351.A O no hydrogen 2.878 N/A ASN 356.A N ALA 352.A O no hydrogen 2.950 N/A ASN 356.A ND2 VAL 471.A O no hydrogen 2.830 N/A LEU 357.A N SER 353.A O no hydrogen 2.983 N/A LEU 358.A N ILE 354.A O no hydrogen 2.891 N/A GLY 359.A N PHE 355.A O no hydrogen 2.713 N/A THR 362.A OG1 GLU 364.A OE1 no hydrogen 2.374 N/A GLU 364.A N GLU 364.A OE1 no hydrogen 2.674 N/A ILE 365.A N THR 362.A O no hydrogen 3.370 N/A ARG 366.A N SER 363.A O no hydrogen 3.158 N/A ARG 368.A NH1 LEU 472.A O no hydrogen 3.307 N/A ARG 368.A NH1 ASN 476.A O no hydrogen 2.637 N/A ARG 368.A NH1 ASN 476.A OD1 no hydrogen 3.203 N/A ILE 371.A N HIS 367.A O no hydrogen 3.404 N/A TYR 372.A N ARG 368.A O no hydrogen 2.903 N/A SER 373.A N PRO 370.A O no hydrogen 3.373 N/A SER 373.A OG ASP 369.A O no hydrogen 2.720 N/A SER 373.A OG PRO 370.A O no hydrogen 2.700 N/A SER 373.A OG HIS 374.A ND1 no hydrogen 3.101 N/A HIS 374.A N PRO 370.A O no hydrogen 2.918 N/A HIS 374.A ND1 PRO 370.A O no hydrogen 2.287 N/A LEU 375.A N ILE 371.A O no hydrogen 2.973 N/A TRP 377.A N SER 373.A O no hydrogen 2.909 N/A VAL 378.A N HIS 374.A O no hydrogen 2.908 N/A CYS 379.A N LEU 375.A O no hydrogen 2.926 N/A CYS 379.A SG LEU 375.A O no hydrogen 3.094 N/A ILE 380.A N ILE 376.A O no hydrogen 2.939 N/A ALA 381.A N TRP 377.A O no hydrogen 2.851 N/A ILE 382.A N VAL 378.A O no hydrogen 2.933 N/A GLY 383.A N CYS 379.A O no hydrogen 2.913 N/A LEU 384.A N ILE 380.A O no hydrogen 2.898 N/A HIS 385.A ND1 ALA 381.A O no hydrogen 2.550 N/A SER 386.A N ILE 382.A O no hydrogen 3.002 N/A SER 386.A OG ILE 382.A O no hydrogen 2.441 N/A SER 388.A OG LEU 384.A O no hydrogen 2.557 N/A SER 388.A OG HIS 385.A O no hydrogen 2.921 N/A LEU 389.A N HIS 385.A O no hydrogen 3.295 N/A LEU 389.A N SER 386.A O no hydrogen 3.280 N/A CYS 391.A N PHE 387.A O no hydrogen 3.068 N/A CYS 391.A SG PHE 387.A O no hydrogen 3.926 N/A HIS 392.A N SER 388.A O no hydrogen 2.707 N/A HIS 392.A NE2 ASP 404.A O no hydrogen 2.619 N/A ASN 393.A N LEU 389.A O no hydrogen 3.011 N/A ASN 393.A ND2 PHE 406.A O no hydrogen 2.721 N/A ASN 393.A ND2 ILE 558.A O no hydrogen 2.964 N/A ASP 394.A N TYR 390.A O no hydrogen 2.871 N/A THR 395.A N CYS 391.A O no hydrogen 2.879 N/A THR 395.A OG1 CYS 391.A O no hydrogen 2.878 N/A LEU 396.A N HIS 392.A O no hydrogen 2.948 N/A GLU 397.A N ASN 393.A O no hydrogen 2.884 N/A ALA 398.A N ASP 394.A O no hydrogen 2.920 N/A LEU 399.A N THR 395.A O no hydrogen 2.911 N/A GLY 400.A N GLU 397.A O no hydrogen 3.100 N/A ARG 401.A N LEU 396.A O no hydrogen 2.762 N/A ARG 401.A NE ASP 404.A OD2 no hydrogen 3.169 N/A ARG 401.A NH2 ASP 404.A OD2 no hydrogen 3.137 N/A GLU 403.A N GLU 403.A OE1 no hydrogen 2.681 N/A ASP 404.A N ARG 401.A O no hydrogen 3.166 N/A PHE 406.A N ASN 393.A OD1 no hydrogen 2.413 N/A HIS 407.A N ILE 411.A O no hydrogen 3.018 N/A SER 410.A N HIS 407.A O no hydrogen 3.378 N/A SER 410.A OG PRO 402.A O no hydrogen 2.829 N/A LEU 413.A N THR 447.A OG1 no hydrogen 3.300 N/A LYS 419.A N ALA 415.A O no hydrogen 2.821 N/A GLN 420.A N ILE 416.A O no hydrogen 2.958 N/A SER 421.A N ALA 418.A O no hydrogen 2.815 N/A GLU 426.A N ARG 424.A O no hydrogen 2.561 N/A ASP 430.A N GLN 428.A O no hydrogen 2.674 N/A GLU 432.A N ARG 440.A O no hydrogen 3.444 N/A LEU 434.A N LYS 437.A O no hydrogen 3.263 N/A ILE 439.A N GLU 432.A O no hydrogen 2.889 N/A ARG 440.A NH2 GLY 241.A O no hydrogen 2.325 N/A GLY 446.A N ASP 449.A OD2 no hydrogen 2.681 N/A THR 447.A N ASP 408.A OD1 no hydrogen 3.099 N/A THR 447.A OG1 ASP 408.A OD1 no hydrogen 2.817 N/A PHE 450.A N GLY 446.A O no hydrogen 3.236 N/A ILE 451.A N THR 447.A O no hydrogen 2.945 N/A VAL 452.A N ALA 448.A O no hydrogen 2.927 N/A HIS 453.A N ASP 449.A O no hydrogen 2.898 N/A HIS 453.A ND1 ASP 449.A O no hydrogen 2.393 N/A HIS 454.A N PHE 450.A O no hydrogen 2.994 N/A HIS 454.A ND1 PHE 450.A O no hydrogen 3.149 N/A ILE 455.A N ILE 451.A O no hydrogen 2.918 N/A HIS 456.A N VAL 452.A O no hydrogen 2.919 N/A HIS 456.A NE2 HIS 526.A ND1 no hydrogen 2.952 N/A ALA 457.A N HIS 453.A O no hydrogen 2.925 N/A PHE 458.A N HIS 454.A O no hydrogen 2.900 N/A THR 459.A N ILE 455.A O no hydrogen 2.957 N/A THR 459.A OG1 ILE 455.A O no hydrogen 3.187 N/A THR 459.A OG1 HIS 456.A O no hydrogen 2.814 N/A ILE 460.A N HIS 456.A O no hydrogen 2.929 N/A HIS 461.A N ALA 457.A O no hydrogen 2.911 N/A HIS 461.A ND1 ALA 457.A O no hydrogen 2.504 N/A VAL 462.A N PHE 458.A O no hydrogen 2.957 N/A THR 463.A N THR 459.A O no hydrogen 2.986 N/A THR 463.A OG1 THR 459.A O no hydrogen 3.179 N/A LEU 464.A N ILE 460.A O no hydrogen 2.910 N/A LEU 465.A N HIS 461.A O no hydrogen 2.824 N/A ILE 466.A N VAL 462.A O no hydrogen 2.989 N/A LEU 467.A N THR 463.A O no hydrogen 2.979 N/A SER 468.A N LEU 464.A O no hydrogen 2.855 N/A LYS 469.A N LEU 465.A O no hydrogen 2.869 N/A LYS 469.A NZ HIS 508.A NE2 no hydrogen 2.955 N/A GLY 470.A N ILE 466.A O no hydrogen 2.964 N/A VAL 471.A N LEU 467.A O no hydrogen 2.935 N/A LEU 472.A N SER 468.A O no hydrogen 2.874 N/A TYR 473.A N LYS 469.A O no hydrogen 3.110 N/A ARG 475.A NH1 ASN 356.A O no hydrogen 2.601 N/A SER 477.A N VAL 480.A O no hydrogen 2.863 N/A ARG 478.A NE ASP 369.A OD2 no hydrogen 3.500 N/A PHE 479.A N SER 477.A OG no hydrogen 2.998 N/A LYS 483.A NZ TYR 473.A O no hydrogen 2.413 N/A LYS 483.A NZ ILE 503.A O no hydrogen 2.863 N/A LEU 486.A N LYS 483.A O no hydrogen 3.238 N/A GLY 487.A N LEU 484.A O no hydrogen 3.251 N/A ASP 493.A N THR 500.A OG1 no hydrogen 2.863 N/A ARG 497.A NH1 ASP 493.A OD2 no hydrogen 3.070 N/A ARG 497.A NH2 ASP 493.A OD2 no hydrogen 3.214 N/A GLY 499.A N GLY 496.A O no hydrogen 2.829 N/A THR 500.A N GLY 494.A O no hydrogen 3.065 N/A THR 500.A OG1 GLY 494.A O no hydrogen 2.448 N/A GLN 502.A N PRO 491.A O no hydrogen 3.203 N/A SER 504.A OG TYR 490.A O no hydrogen 3.031 N/A SER 504.A OG ASP 507.A OD2 no hydrogen 2.424 N/A ASP 507.A N SER 504.A OG no hydrogen 3.173 N/A HIS 508.A N SER 504.A O no hydrogen 3.102 N/A HIS 508.A ND1 SER 504.A O no hydrogen 2.584 N/A LEU 509.A N PRO 505.A O no hydrogen 2.933 N/A PHE 510.A N TRP 506.A O no hydrogen 2.870 N/A SER 511.A N ASP 507.A O no hydrogen 2.943 N/A SER 511.A OG ASP 507.A O no hydrogen 3.480 N/A ALA 512.A N HIS 508.A O no hydrogen 2.874 N/A VAL 513.A N LEU 509.A O no hydrogen 2.851 N/A TRP 515.A N SER 511.A O no hydrogen 3.007 N/A MET 516.A N ALA 512.A O no hydrogen 2.816 N/A TYR 517.A N VAL 513.A O no hydrogen 2.909 N/A ASN 518.A N PHE 514.A O no hydrogen 2.939 N/A CYS 519.A N TRP 515.A O no hydrogen 2.822 N/A CYS 519.A SG THR 459.A OG1 no hydrogen 3.049 N/A LEU 520.A N MET 516.A O no hydrogen 2.991 N/A ASN 521.A N TYR 517.A O no hydrogen 2.919 N/A ASN 521.A ND2 TYR 517.A O no hydrogen 2.212 N/A THR 524.A N LEU 520.A O no hydrogen 2.846 N/A THR 524.A OG1 LEU 520.A O no hydrogen 3.186 N/A PHE 525.A N ASN 521.A O no hydrogen 2.900 N/A HIS 526.A N VAL 522.A O no hydrogen 2.820 N/A HIS 526.A ND1 HIS 456.A NE2 no hydrogen 2.952 N/A TYR 527.A N VAL 523.A O no hydrogen 2.935 N/A PHE 528.A N THR 524.A O no hydrogen 2.834 N/A TRP 529.A N PHE 525.A O no hydrogen 2.884 N/A LYS 530.A N HIS 526.A O no hydrogen 2.867 N/A LYS 530.A NZ GLU 444.A O no hydrogen 3.314 N/A LYS 530.A NZ ASP 449.A OD1 no hydrogen 2.765 N/A LYS 530.A NZ ASP 449.A OD2 no hydrogen 3.103 N/A LYS 530.A NZ ASP 534.A OD2 no hydrogen 2.754 N/A MET 531.A N TYR 527.A O no hydrogen 2.932 N/A GLN 532.A NE2 PHE 528.A O no hydrogen 2.681 N/A GLN 532.A NE2 GLU 571.A OE1 no hydrogen 2.785 N/A SER 533.A N TRP 529.A O no hydrogen 2.904 N/A SER 533.A OG ASP 534.A OD1 no hydrogen 2.453 N/A ASP 534.A N LYS 530.A O no hydrogen 2.875 N/A VAL 535.A N MET 531.A O no hydrogen 2.902 N/A TRP 536.A N MET 531.A O no hydrogen 2.668 N/A PHE 538.A N SER 546.A O no hydrogen 2.839 N/A SER 540.A N HIS 544.A O no hydrogen 2.679 N/A LYS 543.A N SER 540.A O no hydrogen 2.959 N/A HIS 547.A ND1 TRP 536.A O no hydrogen 2.444 N/A SER 549.A N GLN 532.A O no hydrogen 3.382 N/A SER 549.A OG ASP 552.A OD2 no hydrogen 3.049 N/A SER 549.A OG GLU 571.A OE2 no hydrogen 3.529 N/A PHE 553.A N SER 533.A OG no hydrogen 3.107 N/A VAL 555.A N ASP 552.A O no hydrogen 3.298 N/A ASN 556.A N ASP 552.A O no hydrogen 2.811 N/A SER 557.A N PHE 553.A O no hydrogen 3.020 N/A SER 557.A OG PHE 553.A O no hydrogen 2.224 N/A THR 559.A N ASN 556.A O no hydrogen 3.291 N/A THR 559.A OG1 GLU 397.A OE1 no hydrogen 3.430 N/A THR 559.A OG1 ASN 556.A O no hydrogen 3.484 N/A GLY 562.A N THR 559.A OG1 no hydrogen 3.183 N/A TRP 563.A N THR 559.A O no hydrogen 3.294 N/A TRP 563.A NE1 SER 557.A O no hydrogen 2.959 N/A LEU 564.A N ILE 560.A O no hydrogen 2.920 N/A ARG 565.A N ASN 561.A O no hydrogen 2.884 N/A ARG 565.A NE ASN 566.A OD1 no hydrogen 2.953 N/A ARG 565.A NH1 ASN 561.A OD1 no hydrogen 2.271 N/A ASN 566.A N GLY 562.A O no hydrogen 2.898 N/A ASN 566.A ND2 ASP 552.A OD2 no hydrogen 3.499 N/A LEU 567.A N TRP 563.A O no hydrogen 3.286 N/A LEU 568.A N TRP 563.A O no hydrogen 3.107 N/A SER 570.A N ARG 565.A O no hydrogen 2.795 N/A SER 570.A OG ARG 565.A O no hydrogen 3.402 N/A SER 570.A OG ASN 566.A O no hydrogen 2.751 N/A ALA 572.A N TRP 569.A O no hydrogen 3.308 N/A SER 573.A N SER 570.A O no hydrogen 3.397 N/A SER 573.A OG SER 570.A O no hydrogen 3.067 N/A SER 573.A OG GLN 574.A OE1 no hydrogen 2.823 N/A ILE 576.A N ALA 572.A O no hydrogen 2.972 N/A GLN 577.A N SER 573.A O no hydrogen 3.061 N/A SER 578.A OG VAL 575.A O no hydrogen 2.255 N/A SER 583.A OG SER 110.A OG no hydrogen 3.324 N/A ILE 584.A N LEU 581.A O no hydrogen 3.151 N/A CYS 585.A SG SER 578.A O no hydrogen 3.696 N/A CYS 585.A SG LEU 581.A O no hydrogen 2.959 N/A GLY 588.A N ILE 584.A O no hydrogen 3.238 N/A PHE 589.A N CYS 585.A O no hydrogen 3.025 N/A ILE 590.A N PRO 586.A O no hydrogen 2.803 N/A PHE 591.A N TYR 587.A O no hydrogen 2.859 N/A LEU 592.A N GLY 588.A O no hydrogen 3.040 N/A ILE 593.A N PHE 589.A O no hydrogen 2.869 N/A GLY 594.A N ILE 590.A O no hydrogen 2.788 N/A HIS 595.A N PHE 591.A O no hydrogen 3.040 N/A HIS 595.A ND1 PHE 591.A O no hydrogen 2.725 N/A PHE 596.A N LEU 592.A O no hydrogen 2.975 N/A ILE 597.A N ILE 593.A O no hydrogen 2.844 N/A TRP 598.A N GLY 594.A O no hydrogen 2.912 N/A ALA 599.A N HIS 595.A O no hydrogen 2.979 N/A PHE 600.A N PHE 596.A O no hydrogen 2.845 N/A SER 601.A N ILE 597.A O no hydrogen 2.959 N/A SER 601.A OG TRP 598.A O no hydrogen 2.450 N/A LEU 602.A N ALA 599.A O no hydrogen 3.192 N/A MET 603.A N PHE 600.A O no hydrogen 3.214 N/A LEU 605.A N SER 601.A O no hydrogen 2.945 N/A PHE 606.A N LEU 602.A O no hydrogen 2.896 N/A SER 607.A OG MET 603.A O no hydrogen 2.264 N/A ARG 609.A NE LEU 637.A O no hydrogen 2.945 N/A ARG 609.A NH2 GLN 613.A OE1 no hydrogen 2.742 N/A ARG 609.A NH2 ALA 636.A O no hydrogen 3.100 N/A TRP 612.A NE1 SER 607.A OG no hydrogen 3.014 N/A GLN 613.A N ARG 609.A O no hydrogen 2.868 N/A GLN 613.A NE2 GLN 613.A O no hydrogen 3.281 N/A GLN 613.A NE2 PRO 634.A O no hydrogen 3.653 N/A GLU 614.A N ALA 610.A O no hydrogen 2.938 N/A LEU 615.A N TYR 611.A O no hydrogen 2.940 N/A ILE 616.A N TRP 612.A O no hydrogen 2.867 N/A GLU 617.A N GLN 613.A O no hydrogen 2.914 N/A SER 618.A N GLU 614.A O no hydrogen 2.945 N/A SER 618.A OG GLU 614.A O no hydrogen 3.133 N/A ILE 619.A N LEU 615.A O no hydrogen 2.965 N/A LEU 620.A N ILE 616.A O no hydrogen 2.810 N/A TRP 621.A N GLU 617.A O no hydrogen 2.955 N/A SER 622.A OG ILE 619.A O no hydrogen 2.519 N/A SER 622.A OG HIS 623.A ND1 no hydrogen 3.304 N/A HIS 623.A N ILE 619.A O no hydrogen 3.014 N/A HIS 624.A N LEU 620.A O no hydrogen 2.865 N/A LYS 625.A N TRP 621.A O no hydrogen 2.914 N/A LYS 627.A N HIS 624.A O no hydrogen 3.230 N/A ILE 628.A N HIS 623.A O no hydrogen 2.869 N/A GLN 633.A N LYS 25.A O no hydrogen 3.038 N/A ARG 635.A N THR 27.A OG1 no hydrogen 2.817 N/A ARG 635.A NH1 PRO 634.A O no hydrogen 3.341 N/A ALA 636.A N GLN 613.A OE1 no hydrogen 2.834 N/A GLY 642.A N SER 638.A O no hydrogen 2.690 N/A ARG 643.A N ILE 639.A O no hydrogen 2.982 N/A ARG 643.A NH1 PRO 491.A O no hydrogen 3.012 N/A ARG 643.A NH1 ASP 507.A OD1 no hydrogen 2.585 N/A ARG 643.A NH2 PRO 491.A O no hydrogen 3.468 N/A ALA 644.A N SER 640.A O no hydrogen 2.898 N/A VAL 645.A N GLN 641.A O no hydrogen 2.867 N/A GLY 646.A N GLY 642.A O no hydrogen 2.959 N/A PHE 647.A N ARG 643.A O no hydrogen 2.912 N/A ILE 648.A N ALA 644.A O no hydrogen 2.908 N/A HIS 649.A N VAL 645.A O no hydrogen 2.947 N/A HIS 649.A ND1 VAL 645.A O no hydrogen 2.839 N/A TYR 650.A N GLY 646.A O no hydrogen 2.894 N/A THR 651.A N PHE 647.A O no hydrogen 2.952 N/A THR 651.A OG1 PHE 647.A O no hydrogen 2.897 N/A THR 651.A OG1 ILE 648.A O no hydrogen 3.070 N/A LEU 652.A N ILE 648.A O no hydrogen 2.888 N/A GLY 653.A N HIS 649.A O no hydrogen 2.882 N/A GLY 654.A N TYR 650.A O no hydrogen 3.004 N/A ILE 655.A N THR 651.A O no hydrogen 2.865 N/A GLY 656.A N LEU 652.A O no hydrogen 2.890 N/A SER 657.A N GLY 653.A O no hydrogen 2.921 N/A THR 658.A N GLY 654.A O no hydrogen 3.008 N/A THR 658.A OG1 GLY 654.A O no hydrogen 2.726 N/A TRP 659.A N ILE 655.A O no hydrogen 2.798 N/A ALA 660.A N GLY 656.A O no hydrogen 2.925 N/A PHE 661.A N SER 657.A O no hydrogen 2.942 N/A ILE 662.A N THR 658.A O no hydrogen 2.878 N/A ILE 663.A N TRP 659.A O no hydrogen 2.969 N/A SER 664.A N ALA 660.A O no hydrogen 2.963 N/A SER 664.A OG ALA 660.A O no hydrogen 2.247 N/A ARG 665.A NE GLN 532.A OE1 no hydrogen 2.523 N/A ARG 665.A NH1 GLN 574.A OE1 no hydrogen 2.917 N/A ARG 665.A NH2 GLN 532.A OE1 no hydrogen 3.400 N/A LEU 666.A N ILE 662.A O no hydrogen 3.003 N/A LEU 667.A N ILE 663.A O no hydrogen 2.899 N/A VAL 668.A N SER 664.A O no hydrogen 2.942 N/A LEU 669.A N ARG 665.A O no hydrogen 2.920 N/A THR 670.A N LEU 666.A O no hydrogen 3.114 N/A THR 670.A OG1 LEU 666.A O no hydrogen 2.823 N/A