Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4n2n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A N GLY 21.A O no hydrogen 3.340 N/A ARG 4.A N TYR 23.A O no hydrogen 2.740 N/A ARG 4.A NH1 VAL 17.A O no hydrogen 2.772 N/A VAL 6.A N TRP 25.A O no hydrogen 3.119 N/A ARG 7.A NH1 ASP 27.A OD2 no hydrogen 2.911 N/A LEU 8.A N ASP 27.A O no hydrogen 3.017 N/A SER 12.A OG ARG 13.A O no hydrogen 2.904 N/A ARG 13.A NE GLU 15.A OE2 no hydrogen 3.188 N/A VAL 14.A N GLY 109.A O no hydrogen 2.807 N/A ALA 16.A N PHE 111.A O no hydrogen 2.955 N/A VAL 17.A N TYR 197.A OH no hydrogen 3.358 N/A TYR 18.A N THR 113.A O no hydrogen 2.877 N/A LEU 20.A N ILE 115.A O no hydrogen 2.949 N/A THR 22.A N VAL 19.A O no hydrogen 3.183 N/A THR 22.A OG1 VAL 19.A O no hydrogen 2.653 N/A TYR 23.A N ARG 2.A O no hydrogen 2.884 N/A LEU 24.A N VAL 78.A O no hydrogen 2.916 N/A TRP 25.A N ARG 4.A O no hydrogen 2.874 N/A TRP 25.A NE1 THR 5.A OG1 no hydrogen 2.414 N/A THR 26.A N LEU 76.A O no hydrogen 2.787 N/A THR 26.A OG1 VAL 6.A O no hydrogen 3.315 N/A TYR 29.A N ASP 27.A OD1 no hydrogen 2.830 N/A SER 30.A N ASP 27.A OD1 no hydrogen 3.098 N/A SER 30.A OG ASP 27.A OD1 no hydrogen 3.565 N/A SER 30.A OG ASP 27.A OD2 no hydrogen 2.575 N/A ALA 32.A N TYR 29.A O no hydrogen 3.149 N/A ALA 36.A N PRO 33.A O no hydrogen 3.130 N/A GLN 37.A N TYR 97.A O no hydrogen 2.754 N/A THR 38.A N TYR 97.A O no hydrogen 3.352 N/A PHE 39.A N TRP 68.A O no hydrogen 2.942 N/A SER 40.A N ASN 95.A O no hydrogen 2.943 N/A SER 40.A OG TYR 97.A OH no hydrogen 2.756 N/A LYS 42.A N THR 93.A O no hydrogen 2.863 N/A HIS 43.A N THR 62.A O no hydrogen 2.998 N/A HIS 43.A ND1 SER 44.A O no hydrogen 2.943 N/A HIS 43.A NE2 VAL 60.A O no hydrogen 2.663 N/A SER 44.A N LYS 91.A O no hydrogen 3.031 N/A SER 44.A OG SER 89.A O no hydrogen 3.502 N/A SER 44.A OG LYS 91.A O no hydrogen 3.456 N/A VAL 47.A N SER 44.A O no hydrogen 3.250 N/A TRP 48.A N THR 79.A O.A no hydrogen 2.943 N/A TRP 48.A N THR 79.A O.B no hydrogen 2.860 N/A GLU 50.A N ARG 77.A O no hydrogen 2.974 N/A VAL 51.A N GLU 58.A O no hydrogen 2.835 N/A VAL 52.A N THR 75.A O no hydrogen 2.749 N/A ARG 53.A N GLU 56.A O no hydrogen 2.859 N/A ASP 54.A N SER 73.A O no hydrogen 3.291 N/A GLU 56.A N ARG 53.A O no hydrogen 3.025 N/A GLU 58.A N VAL 51.A O no hydrogen 2.923 N/A VAL 60.A N VAL 49.A O no hydrogen 2.962 N/A GLN 66.A NE2 GLU 58.A OE1 no hydrogen 3.562 N/A GLN 66.A NE2 GLU 58.A OE2 no hydrogen 3.230 N/A TRP 68.A N PHE 39.A O no hydrogen 2.981 N/A TRP 68.A NE1 GLU 58.A OE1 no hydrogen 3.314 N/A LEU 70.A N GLN 37.A O no hydrogen 2.818 N/A SER 71.A OG SER 73.A OG no hydrogen 2.838 N/A SER 73.A N SER 71.A OG no hydrogen 3.123 N/A SER 73.A OG SER 71.A OG no hydrogen 2.838 N/A THR 74.A N SER 71.A O no hydrogen 3.086 N/A THR 75.A N VAL 52.A O no hydrogen 2.901 N/A LEU 76.A N THR 26.A O no hydrogen 2.940 N/A ARG 77.A N GLU 50.A O no hydrogen 2.885 N/A ARG 77.A NE GLU 50.A OE1 no hydrogen 2.948 N/A ARG 77.A NH2 GLU 50.A OE2 no hydrogen 3.347 N/A VAL 78.A N LEU 24.A O no hydrogen 2.820 N/A THR 79.A N.A TRP 48.A O no hydrogen 3.007 N/A THR 79.A N.B TRP 48.A O no hydrogen 2.993 N/A MET 80.A N TYR 18.A OH no hydrogen 2.952 N/A SER 84.A N ALA 114.A O no hydrogen 2.790 N/A SER 84.A OG ASP 90.A OD2 no hydrogen 2.573 N/A THR 85.A N SER 88.A OG no hydrogen 2.820 N/A ALA 87.A N THR 85.A OG1 no hydrogen 3.243 N/A SER 88.A N THR 85.A O no hydrogen 3.125 N/A SER 88.A OG THR 85.A O no hydrogen 3.335 N/A LYS 91.A N SER 44.A OG no hydrogen 3.033 N/A VAL 92.A N LEU 110.A O no hydrogen 2.944 N/A THR 93.A N LYS 42.A O no hydrogen 2.819 N/A VAL 94.A N ALA 108.A O no hydrogen 2.747 N/A ASN 95.A N SER 40.A O no hydrogen 2.994 N/A ASN 95.A ND2 GLN 107.A OE1 no hydrogen 3.096 N/A TYR 96.A N ASP 106.A O no hydrogen 2.981 N/A TYR 96.A OH VAL 28.A O no hydrogen 2.601 N/A TYR 97.A N THR 38.A O no hydrogen 2.963 N/A TYR 97.A OH SER 40.A OG no hydrogen 2.756 N/A ILE 105.A N TYR 96.A O no hydrogen 2.738 N/A ALA 108.A N VAL 94.A O no hydrogen 2.879 N/A LEU 110.A N VAL 92.A O no hydrogen 2.843 N/A PHE 111.A N VAL 14.A O no hydrogen 2.827 N/A LEU 112.A N ASP 90.A O no hydrogen 2.921 N/A THR 113.A N ALA 16.A O no hydrogen 3.057 N/A ALA 114.A N SER 84.A OG no hydrogen 2.800 N/A ILE 115.A N TYR 18.A O no hydrogen 2.859 N/A GLU 116.A N LYS 188.A O no hydrogen 2.874 N/A SER 118.A N ARG 186.A O no hydrogen 2.918 N/A SER 118.A OG ASP 120.A OD1 no hydrogen 2.605 N/A LEU 119.A N ASP 287.A OD2 no hydrogen 2.945 N/A ASP 120.A N ILE 184.A O no hydrogen 2.848 N/A ALA 123.A N GLU 130.A OE2 no hydrogen 2.963 N/A ASP 124.A N GLU 130.A OE2 no hydrogen 2.944 N/A ARG 125.A NE.A GLY 147.A O no hydrogen 2.635 N/A ARG 125.A NH1.A THR 140.A O no hydrogen 3.240 N/A ARG 125.A NH1.B GLY 147.A O no hydrogen 3.018 N/A ARG 125.A NH2.A THR 140.A O no hydrogen 2.865 N/A ARG 125.A NH2.A GLY 147.A O no hydrogen 3.231 N/A ARG 125.A NH2.B THR 140.A O no hydrogen 3.180 N/A ARG 125.A NH2.B GLY 142.A O no hydrogen 3.562 N/A ASP 126.A N ASP 122.A OD1 no hydrogen 3.077 N/A GLY 127.A N ASP 122.A OD2 no hydrogen 2.604 N/A VAL 128.A N ASP 126.A OD1 no hydrogen 2.959 N/A GLU 130.A N GLU 130.A OE1 no hydrogen 2.712 N/A LYS 131.A NZ GLU 116.A OE2 no hydrogen 3.486 N/A ASN 132.A N ASP 120.A OD1 no hydrogen 3.077 N/A ASN 133.A ND2 GLU 130.A OE2 no hydrogen 2.795 N/A ASN 133.A ND2 GLN 146.A OE1 no hydrogen 2.945 N/A LYS 135.A N ASN 133.A OD1 no hydrogen 2.888 N/A LYS 136.A N ASN 133.A O no hydrogen 2.999 N/A LYS 136.A NZ LEU 119.A O no hydrogen 2.786 N/A LYS 136.A NZ ASP 120.A OD1 no hydrogen 3.244 N/A LYS 136.A NZ ASN 132.A OD1 no hydrogen 2.733 N/A LYS 136.A NZ ASP 287.A OD2 no hydrogen 2.754 N/A SER 138.A N LYS 135.A O no hydrogen 2.984 N/A TRP 139.A NE1 ALA 148.A O no hydrogen 3.036 N/A THR 140.A N GLN 146.A O no hydrogen 2.858 N/A THR 140.A OG1 GLN 146.A O no hydrogen 3.525 N/A GLY 142.A N TRP 652.A O no hydrogen 2.918 N/A GLY 145.A N GLY 142.A O no hydrogen 3.017 N/A GLN 146.A N THR 140.A OG1 no hydrogen 2.885 N/A GLN 146.A NE2 GLY 145.A O no hydrogen 3.629 N/A GLY 147.A N ALA 123.A O no hydrogen 2.767 N/A LEU 150.A N ARG 292.A O no hydrogen 2.863 N/A ASN 153.A N GLY 253.A O no hydrogen 3.016 N/A ASN 153.A ND2 ASP 176.A OD1 no hydrogen 2.953 N/A ASN 153.A ND2 ASP 176.A OD2 no hydrogen 3.414 N/A ASN 153.A ND2 GLU 252.A OE1 no hydrogen 2.947 N/A CYS 154.A SG VAL 152.A O no hydrogen 3.701 N/A ARG 156.A N GLY 380.A O no hydrogen 3.005 N/A ARG 156.A NH1 LEU 161.A O no hydrogen 3.230 N/A GLU 157.A N ASP 165.A OD2 no hydrogen 3.034 N/A LEU 161.A N THR 158.A O no hydrogen 3.360 N/A ASP 165.A N ASP 155.A O no hydrogen 2.832 N/A CYS 166.A SG ASN 153.A O no hydrogen 3.314 N/A CYS 166.A SG LEU 254.A O no hydrogen 4.038 N/A ARG 167.A N GLU 164.A O no hydrogen 3.103 N/A ARG 167.A NH1 GLU 164.A OE1 no hydrogen 3.139 N/A ARG 167.A NH2 LEU 254.A O no hydrogen 3.442 N/A LYS 170.A N ASP 168.A OD1 no hydrogen 3.225 N/A ASP 176.A N SER 173.A O no hydrogen 3.060 N/A LEU 177.A N LYS 174.A O no hydrogen 3.010 N/A LYS 178.A N GLU 175.A O no hydrogen 3.177 N/A LYS 178.A NZ GLU 175.A OE2 no hydrogen 2.818 N/A ASP 179.A N ASP 176.A O no hydrogen 2.965 N/A MET 180.A N LEU 177.A O no hydrogen 3.024 N/A SER 181.A N VAL 251.A O no hydrogen 2.938 N/A SER 181.A OG ILE 149.A O no hydrogen 2.765 N/A MET 183.A N PHE 249.A O no hydrogen 2.924 N/A ILE 184.A N ASP 120.A O no hydrogen 2.856 N/A LEU 185.A N LEU 247.A O no hydrogen 2.923 N/A ARG 186.A N SER 118.A O no hydrogen 2.845 N/A ARG 186.A NE GLU 246.A OE2 no hydrogen 2.648 N/A ARG 186.A NH1 ASP 120.A OD2 no hydrogen 2.769 N/A ARG 186.A NH1 GLU 130.A O no hydrogen 3.253 N/A ARG 186.A NH2 VAL 129.A O no hydrogen 3.056 N/A THR 187.A N ALA 245.A O no hydrogen 2.906 N/A LYS 188.A N GLU 116.A O no hydrogen 3.151 N/A GLY 189.A N GLY 243.A O no hydrogen 3.204 N/A ASP 191.A N GLU 86.A OE1 no hydrogen 2.935 N/A GLU 198.A N LEU 272.A O no hydrogen 3.042 N/A VAL 200.A N SER 270.A O no hydrogen 2.888 N/A LEU 201.A N HIS 236.A O no hydrogen 2.931 N/A TYR 202.A N HIS 268.A O no hydrogen 2.889 N/A ILE 203.A N LEU 234.A O no hydrogen 2.933 N/A ASP 207.A N SER 204.A OG no hydrogen 3.079 N/A SER 208.A N MET 205.A O no hydrogen 3.180 N/A SER 208.A OG MET 205.A O no hydrogen 2.757 N/A LYS 210.A N ASP 207.A O no hydrogen 2.780 N/A LYS 210.A NZ SER 206.A O no hydrogen 3.053 N/A LYS 210.A NZ ASP 209.A OD1 no hydrogen 2.820 N/A GLY 212.A N GLU 252.A O no hydrogen 3.009 N/A VAL 213.A N LEU 229.A O no hydrogen 2.930 N/A PHE 214.A N PHE 250.A O no hydrogen 2.768 N/A TYR 215.A N ILE 226.A O no hydrogen 2.933 N/A GLU 217.A N ARG 224.A O no hydrogen 2.886 N/A GLY 222.A N PRO 219.A O no hydrogen 3.323 N/A GLN 223.A NE2 ASN 218.A OD1 no hydrogen 2.941 N/A ARG 224.A N GLU 217.A O no hydrogen 2.949 N/A TYR 225.A OH GLN 223.A OE1 no hydrogen 3.008 N/A ILE 226.A N TYR 215.A O no hydrogen 2.833 N/A ILE 228.A N VAL 213.A O no hydrogen 2.885 N/A GLY 230.A N LYS 233.A O no hydrogen 2.987 N/A ARG 231.A NH1 CYS 166.A O no hydrogen 3.171 N/A ARG 231.A NH1 ASP 168.A O no hydrogen 3.291 N/A ARG 231.A NH1 GLU 169.A OE2 no hydrogen 3.034 N/A ARG 231.A NH2 CYS 166.A O no hydrogen 2.922 N/A LYS 233.A N GLY 230.A O no hydrogen 2.947 N/A LYS 233.A NZ ILE 228.A O no hydrogen 2.894 N/A LYS 233.A NZ TYR 235.A O no hydrogen 3.130 N/A LYS 233.A NZ HIS 236.A ND1 no hydrogen 2.994 N/A HIS 236.A N LEU 201.A O no hydrogen 2.808 N/A VAL 238.A N ILE 199.A O no hydrogen 2.825 N/A TYR 240.A OH PRO 190.A O no hydrogen 2.742 N/A GLY 243.A N GLY 189.A O no hydrogen 2.805 N/A ALA 245.A N THR 187.A O no hydrogen 2.835 N/A LEU 247.A N LEU 185.A O no hydrogen 2.934 N/A PHE 249.A N MET 183.A O no hydrogen 2.760 N/A PHE 250.A N PHE 214.A O no hydrogen 2.881 N/A VAL 251.A N SER 181.A O no hydrogen 2.782 N/A GLU 252.A N GLY 212.A O no hydrogen 2.860 N/A GLY 253.A N LEU 151.A O no hydrogen 2.940 N/A LEU 254.A N LYS 210.A O no hydrogen 2.790 N/A CYS 255.A SG.A ASP 209.A O no hydrogen 3.217 N/A CYS 255.A SG.B PHE 256.A O no hydrogen 3.242 N/A ASP 258.A N PHE 261.A O no hydrogen 3.052 N/A GLU 259.A N ASP 258.A OD1 no hydrogen 2.690 N/A PHE 261.A N ASP 258.A O no hydrogen 2.981 N/A LEU 264.A N SER 262.A OG no hydrogen 3.060 N/A VAL 265.A N PHE 291.A O no hydrogen 2.875 N/A SER 266.A N.A ASP 207.A OD2 no hydrogen 3.180 N/A SER 266.A N.B ASP 207.A OD2 no hydrogen 3.193 N/A ILE 267.A N VAL 289.A O no hydrogen 3.011 N/A HIS 268.A N TYR 202.A O no hydrogen 2.994 N/A HIS 268.A ND1 THR 288.A OG1 no hydrogen 2.782 N/A VAL 269.A N ASP 287.A O no hydrogen 2.912 N/A SER 270.A N VAL 200.A O no hydrogen 2.858 N/A SER 270.A OG THR 286.A OG1 no hydrogen 2.685 N/A LEU 271.A N PHE 285.A O no hydrogen 2.855 N/A LEU 272.A N GLU 198.A O no hydrogen 2.812 N/A GLU 273.A N THR 282.A O no hydrogen 2.788 N/A TYR 274.A N GLY 196.A O no hydrogen 2.664 N/A THR 282.A N GLU 273.A O no hydrogen 2.928 N/A THR 286.A OG1 SER 270.A OG no hydrogen 2.685 N/A ASP 287.A N VAL 269.A O no hydrogen 2.854 N/A THR 288.A OG1 HIS 268.A ND1 no hydrogen 2.782 N/A VAL 289.A N ILE 267.A O no hydrogen 3.005 N/A ILE 290.A N LYS 136.A O no hydrogen 3.091 N/A PHE 291.A N VAL 265.A O no hydrogen 2.833 N/A ARG 292.A N ALA 148.A O no hydrogen 2.930 N/A ARG 292.A NH1 SER 262.A O no hydrogen 3.104 N/A ILE 293.A N GLY 263.A O no hydrogen 2.824 N/A ALA 294.A N LEU 150.A O no hydrogen 2.843 N/A TRP 296.A N GLN 445.A OE1 no hydrogen 2.820 N/A TRP 296.A NE1 VAL 360.A O no hydrogen 2.953 N/A ILE 297.A N TYR 350.A O no hydrogen 2.993 N/A MET 298.A N GLN 448.A OE1 no hydrogen 2.787 N/A ASN 301.A ND2 PHE 469.A O no hydrogen 3.132 N/A LEU 303.A N PRO 300.A O no hydrogen 3.196 N/A VAL 306.A N ARG 643.A O no hydrogen 2.853 N/A SER 307.A N ARG 643.A O no hydrogen 3.177 N/A SER 307.A OG GLU 333.A OE2 no hydrogen 2.620 N/A VAL 308.A N GLU 333.A O no hydrogen 2.783 N/A PHE 309.A N ASN 641.A O no hydrogen 2.822 N/A VAL 310.A N LYS 335.A O no hydrogen 2.859 N/A CYS 311.A N.A GLY 639.A O no hydrogen 2.953 N/A CYS 311.A N.B GLY 639.A O no hydrogen 2.935 N/A CYS 311.A SG.A ASP 339.A O no hydrogen 2.909 N/A CYS 311.A SG.A GLY 639.A O no hydrogen 3.800 N/A CYS 312.A N CYS 337.A O no hydrogen 3.349 N/A CYS 312.A SG MET 313.A O no hydrogen 3.472 N/A ASN 316.A N MET 313.A O no hydrogen 3.133 N/A ASN 316.A ND2 ASP 625.A O no hydrogen 3.213 N/A LEU 320.A N ASN 316.A O no hydrogen 3.363 N/A LYS 321.A N TYR 317.A O no hydrogen 2.813 N/A GLU 322.A N LEU 318.A O no hydrogen 2.945 N/A VAL 323.A N PHE 319.A O no hydrogen 2.843 N/A LYS 324.A N LEU 320.A O no hydrogen 2.839 N/A LYS 324.A NZ GLU 328.A OE2 no hydrogen 2.688 N/A ASN 325.A N LYS 321.A O no hydrogen 2.949 N/A LEU 326.A N GLU 322.A O no hydrogen 2.992 N/A VAL 327.A N VAL 323.A O no hydrogen 2.970 N/A GLU 328.A N LYS 324.A O no hydrogen 2.983 N/A LYS 329.A N LEU 326.A O no hydrogen 3.068 N/A LYS 329.A NZ ASP 588.A OD1 no hydrogen 2.779 N/A THR 330.A N VAL 327.A O no hydrogen 2.992 N/A THR 330.A OG1 VAL 327.A O no hydrogen 2.658 N/A CYS 332.A N THR 330.A OG1 no hydrogen 3.050 N/A CYS 332.A SG PRO 305.A O no hydrogen 3.563 N/A CYS 332.A SG THR 330.A OG1 no hydrogen 3.305 N/A GLU 333.A N VAL 306.A O no hydrogen 3.105 N/A LYS 335.A N VAL 308.A O no hydrogen 2.910 N/A CYS 337.A N VAL 310.A O no hydrogen 2.778 N/A ARG 340.A NE CYS 638.A O no hydrogen 2.590 N/A GLN 343.A N ARG 340.A O no hydrogen 2.682 N/A GLN 343.A NE2 ASP 464.A OD2 no hydrogen 3.524 N/A GLN 343.A NE2 ASN 581.A OD1 no hydrogen 3.033 N/A ASP 344.A N ARG 340.A O no hydrogen 2.954 N/A GLU 345.A N TRP 341.A O no hydrogen 2.686 N/A ALA 347.A N LEU 362.A O no hydrogen 2.955 N/A GLY 349.A N VAL 360.A O no hydrogen 3.051 N/A TYR 350.A N ILE 297.A O no hydrogen 2.835 N/A ILE 351.A N PHE 358.A O no hydrogen 3.065 N/A ALA 353.A N LYS 356.A O no hydrogen 2.715 N/A LYS 356.A N ALA 353.A O no hydrogen 3.170 N/A LYS 356.A NZ ASP 179.A OD1 no hydrogen 3.035 N/A LYS 356.A NZ ASP 382.A OD1 no hydrogen 3.026 N/A LYS 356.A NZ ASP 382.A OD2 no hydrogen 2.999 N/A PHE 358.A N ILE 351.A O no hydrogen 3.164 N/A VAL 360.A N GLY 349.A O no hydrogen 2.802 N/A VAL 361.A N GLY 384.A O no hydrogen 2.853 N/A LEU 362.A N ALA 347.A O no hydrogen 2.910 N/A ASP 363.A N VAL 386.A O no hydrogen 2.937 N/A SER 364.A N GLU 345.A O no hydrogen 2.870 N/A SER 364.A OG.B ASP 397.A O no hydrogen 2.903 N/A GLY 368.A N LYS 371.A O no hydrogen 3.082 N/A LEU 370.A N ASP 367.A OD1 no hydrogen 3.033 N/A LEU 370.A N ASP 367.A OD2 no hydrogen 2.775 N/A LYS 371.A N ASP 367.A OD1 no hydrogen 2.652 N/A LYS 371.A NZ ASP 363.A OD2 no hydrogen 2.526 N/A LYS 371.A NZ SER 364.A O no hydrogen 2.334 N/A LYS 371.A NZ SER 364.A OG.A no hydrogen 3.287 N/A VAL 375.A N ASP 363.A OD1 no hydrogen 2.935 N/A LYS 376.A NZ GLU 164.A OE2 no hydrogen 3.199 N/A LEU 379.A N LYS 376.A O no hydrogen 2.896 N/A GLY 380.A N PHE 383.A O no hydrogen 3.138 N/A ASP 382.A N ASP 155.A OD2 no hydrogen 2.907 N/A PHE 383.A N GLY 380.A O no hydrogen 3.166 N/A GLY 384.A N PRO 359.A O no hydrogen 2.875 N/A TYR 385.A N CYS 154.A O no hydrogen 3.018 N/A TYR 385.A OH ASP 363.A OD1 no hydrogen 2.776 N/A VAL 386.A N VAL 361.A O no hydrogen 2.910 N/A THR 387.A OG1 ASP 363.A O no hydrogen 2.697 N/A ARG 388.A NE ASP 258.A OD2 no hydrogen 2.511 N/A ARG 388.A NH1 THR 387.A O no hydrogen 2.938 N/A ARG 388.A NH2 ASP 258.A OD2 no hydrogen 2.779 N/A THR 394.A N ASP 397.A OD1 no hydrogen 2.843 N/A SER 395.A OG VAL 460.A O no hydrogen 2.426 N/A SER 395.A OG HIS 462.A NE2 no hydrogen 3.224 N/A LEU 396.A N THR 394.A OG1 no hydrogen 3.136 N/A ASP 397.A N THR 394.A O no hydrogen 3.011 N/A SER 398.A N SER 395.A O no hydrogen 3.116 N/A SER 398.A OG.B ASP 344.A O no hydrogen 3.408 N/A PHE 399.A N ASP 344.A O no hydrogen 2.654 N/A GLY 400.A N SER 398.A OG.B no hydrogen 3.232 N/A ASN 401.A N SER 398.A O no hydrogen 2.891 N/A ASN 401.A ND2 LEU 396.A O no hydrogen 2.923 N/A ASN 401.A ND2 GLY 423.A O no hydrogen 3.014 N/A LEU 402.A N PHE 399.A O no hydrogen 3.136 N/A GLU 403.A N.A LEU 421.A O no hydrogen 3.050 N/A GLU 403.A N.B LEU 421.A O no hydrogen 3.021 N/A SER 405.A N ARG 419.A O no hydrogen 2.883 N/A SER 405.A OG PRO 406.A O no hydrogen 2.815 N/A VAL 408.A N TYR 415.A O no hydrogen 3.275 N/A VAL 410.A N LYS 413.A O no hydrogen 2.778 N/A LYS 413.A N VAL 410.A O no hydrogen 2.849 N/A LYS 413.A NZ SER 657.A OG no hydrogen 3.407 N/A TYR 415.A N VAL 408.A O no hydrogen 2.831 N/A GLY 418.A N TYR 415.A O no hydrogen 2.953 N/A ARG 419.A N SER 405.A OG no hydrogen 2.878 N/A ARG 419.A NE ALA 449.A O no hydrogen 2.902 N/A ARG 419.A NH1 GLU 549.A O no hydrogen 3.006 N/A ARG 419.A NH1 GLU 549.A OE1 no hydrogen 3.085 N/A ARG 419.A NH2 ALA 449.A O no hydrogen 3.108 N/A ILE 420.A N GLN 448.A O no hydrogen 2.889 N/A LEU 421.A N GLU 403.A O.A no hydrogen 2.734 N/A LEU 421.A N GLU 403.A O.B no hydrogen 2.687 N/A ILE 422.A N VAL 451.A O no hydrogen 2.972 N/A GLY 423.A N ASN 401.A O no hydrogen 3.472 N/A GLY 423.A N ASN 401.A OD1 no hydrogen 3.033 N/A SER 424.A N LEU 453.A O no hydrogen 2.838 N/A SER 424.A OG SER 425.A O no hydrogen 3.503 N/A SER 424.A OG GLU 452.A OE2 no hydrogen 3.236 N/A SER 425.A OG SER 429.A OG no hydrogen 3.412 N/A SER 425.A OG ARG 432.A O no hydrogen 2.717 N/A SER 429.A N PHE 426.A O no hydrogen 3.024 N/A SER 429.A OG PHE 426.A O no hydrogen 2.585 N/A GLY 431.A N SER 429.A OG no hydrogen 3.031 N/A ARG 432.A N ASP 456.A OD1 no hydrogen 2.995 N/A ARG 432.A NE ASP 456.A OD2 no hydrogen 2.714 N/A ARG 432.A NH1 THR 459.A O no hydrogen 3.172 N/A ARG 432.A NH2 ASP 456.A OD2 no hydrogen 3.020 N/A ARG 432.A NH2 LEU 458.A O no hydrogen 2.859 N/A ARG 432.A NH2 THR 459.A O no hydrogen 3.160 N/A ARG 433.A NE GLU 452.A OE2 no hydrogen 2.939 N/A ARG 433.A NH2 GLU 452.A OE1 no hydrogen 2.949 N/A THR 435.A N ASP 397.A OD2 no hydrogen 2.771 N/A THR 435.A OG1 ASP 397.A OD2 no hydrogen 2.858 N/A LYS 436.A NZ ASP 440.A OD1 no hydrogen 3.497 N/A LYS 436.A NZ ASP 440.A OD2 no hydrogen 2.896 N/A VAL 438.A N THR 435.A O no hydrogen 3.167 N/A ARG 439.A N THR 435.A O no hydrogen 3.075 N/A ARG 439.A NE MET 434.A O no hydrogen 2.805 N/A ASP 440.A N LYS 436.A O no hydrogen 2.761 N/A PHE 441.A N VAL 437.A O no hydrogen 3.148 N/A LEU 442.A N VAL 438.A O no hydrogen 3.054 N/A LYS 443.A N ARG 439.A O no hydrogen 2.985 N/A ALA 444.A N ASP 440.A O no hydrogen 2.977 N/A GLN 445.A N LEU 442.A O no hydrogen 3.317 N/A GLN 445.A NE2 PRO 257.A O no hydrogen 2.893 N/A GLN 445.A NE2 PHE 441.A O no hydrogen 2.861 N/A VAL 447.A N GLN 445.A O no hydrogen 2.770 N/A GLN 448.A NE2 MET 298.A O no hydrogen 2.791 N/A GLN 448.A NE2 LEU 417.A O no hydrogen 2.856 N/A ALA 449.A N GLN 446.A O no hydrogen 3.364 N/A VAL 451.A N ILE 420.A O no hydrogen 2.827 N/A LEU 453.A N ILE 422.A O no hydrogen 2.760 N/A TYR 454.A N ASN 542.A OD1 no hydrogen 2.769 N/A SER 455.A N SER 424.A O no hydrogen 2.914 N/A SER 455.A OG GLY 461.A O no hydrogen 2.740 N/A ASP 456.A N SER 424.A O no hydrogen 3.211 N/A LEU 458.A N SER 455.A O no hydrogen 3.061 N/A THR 459.A N ALA 572.A O no hydrogen 2.812 N/A THR 459.A OG1 ASP 567.A OD2 no hydrogen 2.659 N/A THR 459.A OG1 ALA 572.A O no hydrogen 3.300 N/A HIS 462.A N GLU 465.A OE2 no hydrogen 2.928 N/A HIS 462.A NE2 SER 395.A O no hydrogen 2.794 N/A VAL 463.A N ASN 401.A OD1 no hydrogen 3.073 N/A ASP 464.A N GLY 400.A O no hydrogen 3.183 N/A GLU 465.A N HIS 462.A O no hydrogen 2.988 N/A PHE 466.A N VAL 463.A O no hydrogen 3.142 N/A MET 467.A N VAL 463.A O no hydrogen 3.197 N/A SER 468.A N LEU 481.A O no hydrogen 3.062 N/A SER 468.A OG.A VAL 580.A O no hydrogen 2.916 N/A VAL 470.A N LEU 479.A O no hydrogen 3.026 N/A ILE 472.A N LYS 477.A O no hydrogen 2.991 N/A THR 475.A N ILE 472.A O no hydrogen 3.125 N/A THR 475.A OG1 ILE 472.A O no hydrogen 2.664 N/A LYS 477.A N THR 475.A OG1 no hydrogen 2.889 N/A LEU 479.A N VAL 470.A O no hydrogen 2.779 N/A LEU 480.A N ASP 556.A O no hydrogen 2.856 N/A LEU 481.A N SER 468.A O no hydrogen 2.764 N/A MET 482.A N ILE 558.A O no hydrogen 2.964 N/A ALA 483.A N PHE 466.A O no hydrogen 2.904 N/A SER 484.A N LEU 560.A O no hydrogen 2.770 N/A THR 485.A OG1 ASN 532.A O no hydrogen 2.982 N/A THR 485.A OG1 GLN 536.A OE1 no hydrogen 3.222 N/A SER 486.A N GLN 536.A OE1 no hydrogen 3.013 N/A SER 486.A OG.A SER 484.A OG no hydrogen 2.858 N/A ALA 487.A N SER 484.A OG no hydrogen 2.885 N/A TYR 489.A N THR 485.A O no hydrogen 2.954 N/A LYS 490.A N SER 486.A O no hydrogen 3.045 N/A LEU 491.A N ALA 487.A O no hydrogen 3.106 N/A PHE 492.A N CYS 488.A O no hydrogen 2.967 N/A ARG 493.A N TYR 489.A O no hydrogen 2.907 N/A GLU 494.A N LYS 490.A O no hydrogen 2.957 N/A LYS 495.A N LEU 491.A O no hydrogen 2.961 N/A GLN 496.A N PHE 492.A O no hydrogen 2.925 N/A GLN 496.A NE2 ASN 520.A OD1 no hydrogen 2.686 N/A LYS 497.A N ARG 493.A O no hydrogen 2.980 N/A LYS 497.A NZ ASP 498.A OD1 no hydrogen 2.676 N/A ASP 498.A N GLU 494.A O no hydrogen 2.947 N/A GLY 499.A N GLN 496.A O no hydrogen 2.953 N/A HIS 500.A N LYS 495.A O no hydrogen 2.909 N/A ALA 503.A N HIS 500.A O no hydrogen 2.832 N/A MET 505.A N ILE 517.A O no hydrogen 2.741 N/A PHE 506.A N PHE 595.A O no hydrogen 2.817 N/A LEU 509.A N PHE 506.A O no hydrogen 2.973 N/A GLY 511.A N HIS 630.A O no hydrogen 2.866 N/A MET 512.A N LEU 509.A O no hydrogen 2.965 N/A SER 513.A N GLY 510.A O no hydrogen 3.419 N/A SER 513.A OG LEU 509.A O no hydrogen 3.531 N/A SER 513.A OG GLY 510.A O no hydrogen 3.527 N/A LYS 515.A N MET 512.A O no hydrogen 3.099 N/A ARG 516.A N SER 513.A O no hydrogen 3.019 N/A ILE 519.A N ALA 503.A O no hydrogen 3.100 N/A ASN 520.A N GLY 501.A O no hydrogen 2.803 N/A ASN 520.A ND2 GLU 502.A OE2 no hydrogen 3.005 N/A LYS 521.A N THR 518.A OG1 no hydrogen 2.907 N/A LYS 521.A NZ LYS 515.A O no hydrogen 3.529 N/A LYS 521.A NZ ARG 516.A O no hydrogen 2.845 N/A ILE 522.A N THR 518.A O no hydrogen 2.982 N/A LEU 523.A N ILE 519.A O no hydrogen 2.867 N/A SER 524.A N.A ASN 520.A O no hydrogen 2.995 N/A SER 524.A N.B ASN 520.A O no hydrogen 2.989 N/A SER 524.A OG.A ASN 520.A O no hydrogen 3.202 N/A SER 524.A OG.A LYS 521.A O no hydrogen 3.470 N/A SER 524.A OG.B ASN 520.A O no hydrogen 3.177 N/A ASN 525.A N ILE 522.A O no hydrogen 3.302 N/A ASN 525.A ND2 SER 527.A OG no hydrogen 2.987 N/A VAL 529.A N ASN 525.A O no hydrogen 3.114 N/A GLN 530.A N GLU 526.A O no hydrogen 3.125 N/A GLU 531.A N SER 527.A O no hydrogen 2.961 N/A ASN 532.A N LEU 528.A O no hydrogen 3.025 N/A ASN 532.A ND2 LEU 528.A O no hydrogen 3.013 N/A ASN 532.A ND2 PHE 564.A O no hydrogen 2.899 N/A LEU 533.A N VAL 529.A O no hydrogen 2.942 N/A TYR 534.A N GLN 530.A O no hydrogen 3.094 N/A PHE 535.A N GLU 531.A O no hydrogen 2.948 N/A GLN 536.A N ASN 532.A O no hydrogen 2.921 N/A GLN 536.A NE2 ASP 540.A OD1 no hydrogen 2.974 N/A ARG 537.A N LEU 533.A O no hydrogen 3.117 N/A CYS 538.A N TYR 534.A O no hydrogen 3.103 N/A CYS 538.A SG TYR 534.A O no hydrogen 3.556 N/A LEU 539.A N PHE 535.A O no hydrogen 2.896 N/A ASP 540.A N GLN 536.A O no hydrogen 2.845 N/A TRP 541.A N ARG 537.A O no hydrogen 3.006 N/A ASN 542.A N CYS 538.A O no hydrogen 3.314 N/A ASN 542.A ND2 TYR 454.A O no hydrogen 2.847 N/A ASN 542.A ND2 CYS 538.A O no hydrogen 2.963 N/A ARG 543.A N LEU 539.A O no hydrogen 2.820 N/A ARG 543.A NE GLU 554.A OE2 no hydrogen 2.830 N/A ARG 543.A NH1 ASP 559.A OD1 no hydrogen 3.381 N/A ARG 543.A NH1 ASP 559.A OD2 no hydrogen 2.856 N/A ARG 543.A NH2 GLU 554.A OE1 no hydrogen 2.792 N/A ARG 543.A NH2 ASP 559.A OD1 no hydrogen 2.926 N/A ASP 544.A N ASP 540.A O no hydrogen 3.010 N/A ILE 545.A N TRP 541.A O no hydrogen 3.265 N/A LEU 546.A N ASN 542.A O no hydrogen 2.873 N/A LYS 547.A N ARG 543.A O no hydrogen 2.955 N/A LYS 547.A NZ GLU 554.A OE2 no hydrogen 2.777 N/A LYS 548.A N ASP 544.A O no hydrogen 3.021 N/A GLU 549.A N ILE 545.A O no hydrogen 2.830 N/A LEU 550.A N LEU 546.A O no hydrogen 2.900 N/A LEU 552.A N LYS 547.A O no hydrogen 3.009 N/A THR 553.A N ASP 556.A OD2 no hydrogen 2.942 N/A THR 553.A OG1 ASP 556.A OD2 no hydrogen 3.549 N/A GLN 555.A N THR 553.A OG1 no hydrogen 3.174 N/A ASP 556.A N THR 553.A O no hydrogen 2.998 N/A ILE 557.A N GLU 554.A O no hydrogen 3.185 N/A ILE 558.A N LEU 480.A O no hydrogen 2.938 N/A LEU 560.A N MET 482.A O no hydrogen 2.868 N/A ALA 562.A N SER 484.A O no hydrogen 2.959 N/A PHE 564.A N ASN 532.A OD1 no hydrogen 2.923 N/A LYS 565.A N ARG 573.A O no hydrogen 2.829 N/A LYS 565.A NZ MET 566.A O no hydrogen 3.544 N/A MET 566.A N GLU 531.A OE1 no hydrogen 3.103 N/A ASP 567.A N ARG 571.A O no hydrogen 2.855 N/A GLU 568.A N GLU 568.A OE1 no hydrogen 2.584 N/A ASP 569.A N ASP 567.A OD1 no hydrogen 2.874 N/A HIS 570.A N ASP 567.A O no hydrogen 3.137 N/A ARG 571.A N ASP 567.A OD1 no hydrogen 2.862 N/A ARG 571.A NE ASP 456.A O no hydrogen 2.745 N/A ARG 571.A NH2 ASP 456.A OD1 no hydrogen 3.088 N/A ALA 572.A N TRP 457.A O no hydrogen 2.769 N/A ARG 573.A N LYS 565.A O no hydrogen 3.007 N/A PHE 575.A N LEU 563.A O no hydrogen 2.812 N/A ASN 578.A ND2.B ASP 464.A O no hydrogen 3.118 N/A VAL 580.A N ASN 578.A OD1.B no hydrogen 3.120 N/A ASN 581.A N ASN 578.A O.A no hydrogen 3.465 N/A ILE 583.A N GLY 590.A O no hydrogen 2.783 N/A LEU 585.A N ASP 588.A O no hydrogen 2.818 N/A LYS 587.A NZ ASP 588.A OD1 no hydrogen 3.548 N/A LYS 587.A NZ ASP 588.A OD2 no hydrogen 2.824 N/A LYS 587.A NZ GLU 619.A OE2 no hydrogen 3.032 N/A ASP 588.A N LEU 585.A O no hydrogen 2.982 N/A LEU 589.A N GLU 619.A O no hydrogen 2.886 N/A GLY 590.A N ILE 583.A O no hydrogen 2.905 N/A ILE 591.A N THR 621.A O no hydrogen 2.796 N/A LYS 593.A N ILE 623.A O no hydrogen 2.994 N/A LYS 593.A NZ GLU 606.A OE2 no hydrogen 2.705 N/A VAL 599.A N GLU 602.A O no hydrogen 2.927 N/A GLU 602.A N VAL 599.A O no hydrogen 3.275 N/A CYS 604.A N PRO 597.A O no hydrogen 2.890 N/A CYS 604.A SG PRO 597.A O no hydrogen 3.407 N/A MET 607.A N CYS 603.A O no hydrogen 3.081 N/A HIS 608.A N CYS 604.A O no hydrogen 3.105 N/A VAL 609.A N LEU 605.A O no hydrogen 2.977 N/A ARG 610.A N GLU 606.A O no hydrogen 2.945 N/A ARG 610.A NH1 GLU 614.A OE2 no hydrogen 2.863 N/A ARG 610.A NH1 CYS 620.A O no hydrogen 2.974 N/A ARG 610.A NH2 CYS 620.A O no hydrogen 3.419 N/A GLY 611.A N MET 607.A O no hydrogen 3.036 N/A LEU 612.A N HIS 608.A O no hydrogen 3.099 N/A LEU 612.A N VAL 609.A O no hydrogen 3.146 N/A LEU 613.A N VAL 609.A O no hydrogen 2.999 N/A GLU 614.A N ARG 610.A O no hydrogen 2.856 N/A LEU 616.A N LEU 613.A O no hydrogen 3.029 N/A GLY 617.A N GLU 614.A O no hydrogen 2.919 N/A GLU 619.A N LYS 587.A O no hydrogen 2.800 N/A THR 621.A N LEU 589.A O no hydrogen 2.890 N/A ILE 623.A N ILE 591.A O no hydrogen 2.742 N/A ASP 624.A N GLU 322.A OE1 no hydrogen 2.744 N/A SER 627.A N ASP 624.A OD2 no hydrogen 2.874 N/A SER 627.A OG ASP 624.A OD1 no hydrogen 2.530 N/A SER 627.A OG ASP 624.A OD2 no hydrogen 3.375 N/A TYR 629.A N ILE 626.A O no hydrogen 2.924 N/A HIS 630.A N SER 627.A O no hydrogen 2.989 N/A GLY 639.A N CYS 311.A O.A no hydrogen 3.050 N/A GLY 639.A N CYS 311.A O.B no hydrogen 3.133 N/A THR 640.A N GLN 343.A OE1 no hydrogen 3.235 N/A ASN 641.A N PHE 309.A O no hydrogen 2.941 N/A ASN 641.A ND2 ILE 342.A O no hydrogen 2.920 N/A ASN 641.A ND2 ILE 346.A O no hydrogen 2.969 N/A ARG 643.A N SER 307.A O no hydrogen 2.846 N/A ARG 643.A NH1 ARG 644.A O no hydrogen 3.076 N/A ARG 644.A NH1 LEU 303.A O no hydrogen 2.950 N/A ARG 644.A NH1 VAL 584.A O no hydrogen 3.232 N/A ARG 644.A NH2 VAL 584.A O no hydrogen 2.848 N/A LYS 645.A N PRO 304.A O no hydrogen 2.899 N/A LYS 650.A NZ GLU 352.A OE2 no hydrogen 2.620 N/A TRP 651.A NE1 GLU 352.A O no hydrogen 2.824 N/A HIS 653.A N LYS 650.A O no hydrogen 2.917 N/A MET 654.A N TRP 651.A O no hydrogen 3.052 N/A