Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7pmk_6.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG PHE 2.A O no hydrogen 2.750 N/A VAL 10.A N ASN 8.A OD1 no hydrogen 2.972 N/A LYS 12.A N HIS 9.A O no hydrogen 2.909 N/A GLY 18.A N ASP 15.A OD1 no hydrogen 3.242 N/A GLU 19.A N ASP 15.A O no hydrogen 2.859 N/A LYS 20.A N VAL 16.A O no hydrogen 2.913 N/A VAL 21.A N THR 17.A O no hydrogen 2.851 N/A ARG 22.A N GLY 18.A O no hydrogen 2.868 N/A ARG 22.A NH1 GLU 19.A OE1 no hydrogen 2.741 N/A ARG 22.A NH2 GLU 19.A OE1 no hydrogen 2.733 N/A GLU 23.A N GLU 19.A O no hydrogen 2.911 N/A ALA 24.A N LYS 20.A O no hydrogen 2.945 N/A PHE 25.A N VAL 21.A O no hydrogen 2.836 N/A GLU 26.A N ARG 22.A O no hydrogen 2.810 N/A GLN 27.A N GLU 23.A O no hydrogen 3.028 N/A PHE 28.A N ALA 24.A O no hydrogen 2.932 N/A LEU 29.A N PHE 25.A O no hydrogen 2.821 N/A GLU 30.A N GLU 26.A O no hydrogen 3.012 N/A ASP 31.A N GLN 27.A O no hydrogen 2.962 N/A PHE 32.A N PHE 28.A O no hydrogen 2.824 N/A SER 33.A OG ASP 31.A O no hydrogen 2.928 N/A GLN 35.A NE2 ASP 38.A OD2 no hydrogen 2.723 N/A SER 36.A N GLN 35.A OE1 no hydrogen 2.919 N/A SER 36.A OG THR 37.A OG1 no hydrogen 3.261 N/A THR 37.A OG1 SER 36.A OG no hydrogen 3.261 N/A GLU 41.A N THR 39.A OG1 no hydrogen 3.428 N/A GLU 43.A N VAL 34.A O no hydrogen 2.815 N/A TYR 46.A OH HIS 67.A ND1 no hydrogen 3.084 N/A ARG 47.A NE GLU 30.A O no hydrogen 2.977 N/A ARG 47.A NH2 GLU 30.A O no hydrogen 2.815 N/A ALA 48.A N LYS 44.A O no hydrogen 3.014 N/A GLN 49.A N VAL 45.A O no hydrogen 2.810 N/A GLN 49.A NE2 TYR 62.A O no hydrogen 2.956 N/A ILE 50.A N TYR 46.A O no hydrogen 2.903 N/A GLU 51.A N ARG 47.A O no hydrogen 3.026 N/A PHE 52.A N ALA 48.A O no hydrogen 2.919 N/A MET 53.A N GLN 49.A O no hydrogen 2.863 N/A LYS 54.A N ILE 50.A O no hydrogen 2.892 N/A LYS 54.A NZ GLU 51.A OE1 no hydrogen 2.998 N/A ILE 55.A N GLU 51.A O no hydrogen 2.906 N/A TYR 56.A N PHE 52.A O no hydrogen 2.973 N/A LEU 58.A N MET 53.A O no hydrogen 2.916 N/A ASN 59.A ND2 ASN 59.A O no hydrogen 2.902 N/A ASN 59.A ND2 ASP 240.A OD1 no hydrogen 2.965 N/A THR 60.A OG1 GLN 120.A O no hydrogen 2.654 N/A THR 60.A OG1 SER 122.A OG no hydrogen 3.359 N/A ILE 61.A N GLN 120.A O no hydrogen 3.020 N/A TYR 62.A N GLN 49.A OE1 no hydrogen 2.759 N/A ILE 63.A N SER 122.A O no hydrogen 3.073 N/A ASP 64.A N TYR 46.A OH no hydrogen 2.847 N/A TYR 65.A N PHE 124.A O no hydrogen 2.881 N/A TYR 65.A OH ALA 77.A O no hydrogen 2.846 N/A GLN 66.A N ASP 64.A OD1 no hydrogen 2.834 N/A GLN 66.A NE2 ASN 125.A O no hydrogen 3.001 N/A HIS 67.A N ASP 64.A O no hydrogen 3.159 N/A SER 69.A N TYR 65.A O no hydrogen 2.896 N/A SER 69.A OG TYR 65.A O no hydrogen 2.756 N/A MET 70.A N GLN 66.A O no hydrogen 2.934 N/A ARG 71.A N HIS 67.A O no hydrogen 3.225 N/A ARG 71.A NE GLU 72.A OE2 no hydrogen 2.946 N/A ARG 71.A NH1 ASP 31.A OD1 no hydrogen 2.859 N/A ARG 71.A NH2 ASP 31.A OD1 no hydrogen 2.769 N/A ARG 71.A NH2 GLU 72.A OE2 no hydrogen 3.506 N/A GLY 74.A N ARG 71.A O no hydrogen 2.770 N/A ALA 75.A N GLU 72.A O no hydrogen 3.211 N/A MET 78.A N GLY 74.A O no hydrogen 2.864 N/A ALA 79.A N ALA 75.A O no hydrogen 2.954 N/A ILE 80.A N LEU 76.A O no hydrogen 2.921 N/A SER 81.A N ALA 77.A O no hydrogen 2.870 N/A GLU 82.A N MET 78.A O no hydrogen 2.893 N/A GLN 83.A N ALA 79.A O no hydrogen 3.076 N/A GLN 83.A NE2 GLU 82.A OE1 no hydrogen 2.739 N/A TYR 85.A N GLY 141.A O no hydrogen 2.957 N/A ARG 86.A N GLN 83.A O no hydrogen 3.187 N/A ARG 86.A NE GLN 83.A OE1 no hydrogen 2.999 N/A ARG 86.A NH1 ASP 15.A OD2 no hydrogen 2.816 N/A ARG 86.A NH2 GLN 83.A OE1 no hydrogen 2.691 N/A PHE 87.A N GLN 83.A O no hydrogen 3.347 N/A PHE 87.A N TYR 84.A O no hydrogen 3.059 N/A LEU 88.A N TYR 84.A O no hydrogen 2.950 N/A LEU 91.A N PHE 87.A O no hydrogen 2.921 N/A GLN 92.A N LEU 88.A O no hydrogen 2.967 N/A GLN 92.A NE2 PHE 119.A O no hydrogen 2.855 N/A LYS 93.A N PRO 89.A O no hydrogen 2.916 N/A GLY 94.A N PHE 90.A O no hydrogen 2.972 N/A LEU 95.A N LEU 91.A O no hydrogen 2.885 N/A ARG 96.A N GLN 92.A O no hydrogen 2.861 N/A ARG 96.A NH1 GLU 116.A OE2 no hydrogen 2.799 N/A ARG 96.A NH2 GLU 116.A OE2 no hydrogen 2.745 N/A ARG 97.A N LYS 93.A O no hydrogen 3.051 N/A ARG 97.A NH1 GLU 26.A OE1 no hydrogen 2.902 N/A VAL 98.A N GLY 94.A O no hydrogen 3.008 N/A VAL 99.A N LEU 95.A O no hydrogen 2.885 N/A ARG 100.A N ARG 96.A O no hydrogen 2.893 N/A LYS 101.A N ARG 97.A O no hydrogen 2.996 N/A LYS 101.A NZ TYR 102.A OH no hydrogen 3.306 N/A TYR 102.A N VAL 98.A O no hydrogen 2.968 N/A TYR 102.A OH GLU 30.A OE1 no hydrogen 2.722 N/A ALA 103.A N VAL 99.A O no hydrogen 2.727 N/A GLU 105.A N GLU 105.A OE1 no hydrogen 2.676 N/A LEU 106.A N ALA 103.A O no hydrogen 2.898 N/A LEU 107.A N PRO 104.A O no hydrogen 3.372 N/A ASN 108.A ND2 GLN 114.A O no hydrogen 2.725 N/A THR 109.A N THR 115.A O no hydrogen 2.889 N/A SER 110.A OG GLU 105.A O no hydrogen 2.681 N/A SER 110.A OG ASN 108.A O no hydrogen 3.047 N/A THR 115.A OG1 GLU 116.A O no hydrogen 3.556 N/A ARG 117.A N LEU 107.A O no hydrogen 3.224 N/A ARG 117.A NE LEU 106.A O no hydrogen 2.774 N/A ARG 117.A NE ASN 108.A O no hydrogen 3.095 N/A ARG 117.A NH1 ASP 57.A O no hydrogen 3.096 N/A ARG 117.A NH1 LEU 58.A O no hydrogen 2.633 N/A ARG 117.A NH2 ASN 108.A O no hydrogen 2.806 N/A GLN 120.A N ASN 59.A O no hydrogen 3.253 N/A GLN 120.A NE2 ARG 238.A O no hydrogen 2.910 N/A SER 122.A N ILE 61.A O no hydrogen 2.938 N/A SER 122.A OG THR 60.A OG1 no hydrogen 3.359 N/A SER 122.A OG CYS 299.A O no hydrogen 2.732 N/A PHE 124.A N ILE 63.A O no hydrogen 2.866 N/A ASN 125.A ND2 ASP 64.A OD1 no hydrogen 2.894 N/A ASN 125.A ND2 ASP 64.A OD2 no hydrogen 3.267 N/A HIS 130.A N SER 145.A O no hydrogen 2.845 N/A ARG 131.A N ASP 134.A OD2 no hydrogen 2.855 N/A ARG 131.A NE ASP 134.A OD1 no hydrogen 3.395 N/A ARG 131.A NE ASP 134.A OD2 no hydrogen 2.979 N/A ARG 131.A NH1 GLU 223.A OE2 no hydrogen 2.780 N/A ARG 131.A NH2 ASP 134.A OD1 no hydrogen 2.757 N/A ARG 133.A NE GLU 219.A OE2 no hydrogen 2.967 N/A ARG 133.A NH2 GLU 219.A OE1 no hydrogen 2.793 N/A ASP 134.A N ARG 131.A O no hydrogen 2.986 N/A ILE 135.A N ILE 132.A O no hydrogen 3.492 N/A ARG 136.A NH1 ARG 133.A O no hydrogen 2.938 N/A ARG 136.A NH1 ILE 135.A O no hydrogen 2.708 N/A GLU 138.A N GLU 138.A OE1 no hydrogen 2.709 N/A LYS 139.A N ARG 136.A O no hydrogen 2.902 N/A ILE 140.A N SER 137.A O no hydrogen 3.338 N/A GLY 141.A N GLU 257.A O no hydrogen 2.719 N/A SER 142.A N LYS 139.A O no hydrogen 3.054 N/A SER 142.A OG LYS 139.A O no hydrogen 2.645 N/A LEU 143.A N SER 81.A O no hydrogen 2.894 N/A LEU 144.A N GLY 255.A O no hydrogen 2.925 N/A SER 145.A OG THR 128.A O no hydrogen 2.715 N/A ILE 146.A N PHE 253.A O no hydrogen 2.815 N/A SER 147.A N HIS 130.A O no hydrogen 3.321 N/A SER 147.A OG CYS 251.A O no hydrogen 2.984 N/A GLY 148.A N CYS 251.A O no hydrogen 3.344 N/A THR 149.A N GLN 218.A O no hydrogen 2.992 N/A THR 149.A OG1 ASP 249.A O no hydrogen 2.778 N/A VAL 150.A N ASP 249.A O no hydrogen 2.770 N/A THR 151.A N ARG 216.A O no hydrogen 2.902 N/A THR 151.A OG1 GLN 218.A OE1 no hydrogen 3.223 N/A ARG 152.A N ARG 216.A O no hydrogen 3.346 N/A SER 154.A N LYS 214.A O no hydrogen 2.815 N/A SER 154.A OG GLU 155.A O no hydrogen 2.701 N/A ARG 157.A N TRP 212.A O no hydrogen 2.916 N/A ARG 157.A NE GLU 155.A OE1 no hydrogen 3.043 N/A ARG 157.A NH2 GLU 155.A OE1 no hydrogen 2.928 N/A GLU 159.A N LEU 210.A O no hydrogen 2.681 N/A TYR 161.A N ARG 208.A O no hydrogen 2.917 N/A LYS 162.A N ARG 208.A O no hydrogen 3.063 N/A LYS 162.A NZ GLU 116.A OE1 no hydrogen 2.881 N/A LYS 162.A NZ ASN 176.A OD1 no hydrogen 3.294 N/A ALA 163.A N VAL 177.A O no hydrogen 2.999 N/A SER 164.A OG ASN 203.A O no hydrogen 3.237 N/A PHE 165.A N VAL 174.A O no hydrogen 2.850 N/A THR 166.A N THR 201.A O no hydrogen 2.855 N/A THR 166.A OG1 ARG 171.A O no hydrogen 3.427 N/A THR 166.A OG1 ALA 172.A O no hydrogen 3.437 N/A CYS 167.A N ALA 172.A O no hydrogen 3.017 N/A ASP 168.A N PHE 199.A O no hydrogen 3.383 N/A VAL 174.A N PHE 165.A O no hydrogen 2.758 N/A ASN 176.A N ASP 175.A OD1 no hydrogen 2.692 N/A VAL 177.A N ALA 163.A O no hydrogen 2.887 N/A GLN 179.A NE2 VAL 177.A O no hydrogen 3.345 N/A GLN 179.A NE2 THR 184.A O no hydrogen 2.947 N/A SER 180.A N THR 184.A OG1 no hydrogen 3.290 N/A PHE 181.A N SER 180.A OG no hydrogen 2.653 N/A TYR 183.A OH GLU 185.A OE2 no hydrogen 2.620 N/A THR 184.A N GLN 179.A OE1 no hydrogen 2.899 N/A THR 184.A OG1 LYS 182.A O no hydrogen 2.805 N/A SER 193.A N ASN 191.A OD1 no hydrogen 2.991 N/A CYS 194.A N ASN 191.A O no hydrogen 3.025 N/A CYS 194.A SG GLU 195.A OE1 no hydrogen 3.429 N/A GLU 195.A N GLU 195.A OE1 no hydrogen 2.771 N/A ASN 196.A ND2 PHE 199.A O no hydrogen 2.975 N/A ARG 197.A NH1 ASN 196.A O no hydrogen 2.895 N/A PHE 199.A N ASN 196.A OD1 no hydrogen 3.157 N/A THR 201.A N THR 166.A O no hydrogen 2.972 N/A ASN 203.A N SER 164.A O no hydrogen 2.849 N/A THR 205.A OG1 ASN 203.A OD1 no hydrogen 2.621 N/A ARG 206.A N ASN 203.A OD1 no hydrogen 2.732 N/A ARG 206.A NE ASP 175.A OD2 no hydrogen 3.007 N/A ARG 206.A NH2 ASP 175.A OD2 no hydrogen 2.834 N/A SER 207.A N ASN 203.A O no hydrogen 3.096 N/A SER 207.A OG ASN 203.A O no hydrogen 2.689 N/A SER 207.A OG VAL 204.A O no hydrogen 3.275 N/A ARG 208.A N LYS 162.A O no hydrogen 2.750 N/A LEU 210.A N GLU 159.A O no hydrogen 2.709 N/A TRP 212.A N ARG 157.A O no hydrogen 2.776 N/A GLN 213.A N LEU 237.A O no hydrogen 2.802 N/A GLN 213.A NE2 SER 154.A O no hydrogen 2.758 N/A GLN 213.A NE2 GLU 243.A OE1 no hydrogen 2.749 N/A VAL 215.A N VAL 235.A O no hydrogen 2.685 N/A ARG 216.A N ARG 152.A O no hydrogen 2.942 N/A ARG 216.A NE ASP 234.A OD1 no hydrogen 2.776 N/A ARG 216.A NH2 ASP 234.A OD1 no hydrogen 3.017 N/A ARG 216.A NH2 ASP 234.A OD2 no hydrogen 3.203 N/A ILE 217.A N LEU 233.A O no hydrogen 3.022 N/A GLN 218.A N THR 149.A O no hydrogen 2.991 N/A GLU 219.A N ARG 231.A O no hydrogen 2.835 N/A GLU 223.A N ASN 220.A O no hydrogen 2.944 N/A ILE 224.A N ASN 220.A O no hydrogen 3.244 N/A ARG 231.A N GLU 219.A OE1 no hydrogen 3.209 N/A LEU 233.A N ILE 217.A O no hydrogen 3.015 N/A VAL 235.A N VAL 215.A O no hydrogen 2.829 N/A ILE 236.A N PHE 296.A O no hydrogen 2.849 N/A LEU 237.A N GLN 213.A O no hydrogen 2.720 N/A ARG 238.A N SER 241.A OG no hydrogen 3.179 N/A ARG 238.A NH1 GLU 159.A OE1 no hydrogen 2.904 N/A GLY 239.A N ASP 211.A O no hydrogen 2.889 N/A ASP 240.A N GLN 120.A OE1 no hydrogen 2.722 N/A SER 241.A N ARG 238.A O no hydrogen 3.176 N/A SER 241.A OG ARG 238.A O no hydrogen 2.564 N/A VAL 242.A N GLY 239.A O no hydrogen 3.267 N/A GLU 243.A N GLN 213.A OE1 no hydrogen 2.754 N/A ARG 244.A NE ASP 240.A O no hydrogen 3.066 N/A ARG 244.A NH2 ASP 240.A O no hydrogen 3.370 N/A GLY 248.A N VAL 150.A O no hydrogen 2.669 N/A ASP 249.A N LYS 246.A O no hydrogen 3.012 N/A ARG 250.A NH1 ASN 222.A OD1 no hydrogen 2.955 N/A CYS 251.A N GLY 148.A O no hydrogen 2.979 N/A LYS 252.A N ILE 302.A O no hydrogen 2.957 N/A PHE 253.A N ILE 146.A O no hydrogen 2.733 N/A THR 254.A N HIS 300.A O no hydrogen 3.195 N/A THR 254.A OG1 LEU 144.A O no hydrogen 2.534 N/A GLY 255.A N LEU 144.A O no hydrogen 3.023 N/A VAL 256.A N LEU 297.A O no hydrogen 2.914 N/A ILE 258.A N SER 295.A O no hydrogen 2.758 N/A VAL 260.A N LYS 293.A O no hydrogen 2.763 N/A ASP 262.A N THR 291.A O no hydrogen 2.896 N/A THR 264.A N ASP 262.A OD1 no hydrogen 3.149 N/A THR 264.A OG1 ASP 262.A OD1 no hydrogen 2.637 N/A GLN 265.A N ASP 262.A OD1 no hydrogen 3.469 N/A GLN 265.A NE2 ASP 289.A O no hydrogen 2.618 N/A LEU 266.A N ASP 262.A O no hydrogen 3.190 N/A GLY 267.A N THR 264.A O no hydrogen 3.129 N/A VAL 271.A N LEU 268.A O no hydrogen 3.296 N/A SER 274.A N THR 264.A OG1 no hydrogen 3.094 N/A SER 274.A OG ASP 262.A OD2 no hydrogen 2.887 N/A SER 274.A OG THR 264.A OG1 no hydrogen 3.051 N/A GLY 278.A N ASP 289.A OD2 no hydrogen 2.935 N/A VAL 279.A N LEU 290.A O no hydrogen 2.927 N/A THR 280.A OG1 ARG 288.A O no hydrogen 2.690 N/A GLY 281.A N THR 280.A OG1 no hydrogen 2.733 N/A LEU 285.A N LEU 282.A O no hydrogen 2.861 N/A ARG 288.A N LEU 285.A O no hydrogen 2.935 N/A ARG 288.A NH1 GLN 265.A O no hydrogen 3.043 N/A ARG 288.A NH1 SER 284.A O no hydrogen 3.479 N/A ARG 288.A NH2 SER 284.A O no hydrogen 3.400 N/A LEU 290.A N VAL 279.A O no hydrogen 2.685 N/A LYS 293.A N VAL 260.A O no hydrogen 2.963 N/A LYS 293.A NZ ASP 234.A OD2 no hydrogen 3.218 N/A SER 295.A N ILE 258.A O no hydrogen 2.783 N/A PHE 296.A N ASP 234.A O no hydrogen 2.925 N/A LEU 297.A N VAL 256.A O no hydrogen 2.680 N/A ALA 298.A N ILE 236.A O no hydrogen 2.891 N/A CYS 299.A N THR 254.A O no hydrogen 2.926 N/A CYS 299.A SG ILE 121.A O no hydrogen 3.793 N/A CYS 299.A SG THR 254.A O no hydrogen 3.419 N/A ILE 302.A N LYS 252.A O no hydrogen 3.035 N/A SER 303.A OG ASP 249.A OD1 no hydrogen 2.802 N/A SER 303.A OG ASP 249.A OD2 no hydrogen 3.203 N/A ILE 304.A N ARG 250.A O no hydrogen 2.794 N/A GLY 305.A N SER 303.A OG no hydrogen 3.186 N/A ARG 308.A NH1 ASN 438.A OD1 no hydrogen 3.015 N/A ARG 308.A NH2 ASN 438.A OD1 no hydrogen 3.062 N/A ASP 309.A N GLU 307.A O no hydrogen 2.814 N/A GLN 310.A NE2 THR 559.A OG1 no hydrogen 2.939 N/A PHE 313.A N ASP 309.A O no hydrogen 3.412 N/A LEU 314.A N GLN 310.A O no hydrogen 2.829 N/A ASN 315.A N GLU 311.A O no hydrogen 2.914 N/A ASN 315.A ND2 GLU 311.A OE1 no hydrogen 3.093 N/A SER 316.A N PHE 313.A O no hydrogen 3.174 N/A LEU 317.A N LEU 314.A O no hydrogen 2.988 N/A ASP 320.A N SER 318.A OG no hydrogen 3.272 N/A ILE 322.A N SER 318.A O no hydrogen 2.878 N/A ASN 323.A N SER 319.A O no hydrogen 2.938 N/A ASN 323.A ND2 SER 319.A O no hydrogen 2.808 N/A GLU 324.A N ASP 320.A O no hydrogen 2.943 N/A LEU 325.A N GLU 321.A O no hydrogen 2.918 N/A LYS 326.A N ILE 322.A O no hydrogen 2.909 N/A GLU 327.A N ASN 323.A O no hydrogen 2.889 N/A MET 328.A N GLU 324.A O no hydrogen 2.942 N/A VAL 329.A N LEU 325.A O no hydrogen 2.926 N/A LYS 330.A N LYS 326.A O no hydrogen 2.918 N/A LYS 330.A NZ GLU 327.A OE2 no hydrogen 2.983 N/A ASP 331.A N MET 328.A O no hydrogen 3.131 N/A HIS 333.A N ASP 331.A OD1 no hydrogen 3.148 N/A ILE 334.A N ASP 331.A O no hydrogen 3.454 N/A TYR 335.A OH GLU 625.A OE1 no hydrogen 2.790 N/A LYS 337.A NZ ASP 331.A OD2 no hydrogen 2.718 N/A LEU 338.A N ILE 334.A O no hydrogen 2.879 N/A VAL 339.A N TYR 335.A O no hydrogen 3.360 N/A ARG 340.A N ASP 336.A O no hydrogen 3.049 N/A ARG 340.A NE ASP 336.A OD1 no hydrogen 3.204 N/A ARG 340.A NE ASP 336.A OD2 no hydrogen 3.029 N/A ARG 340.A NH2 ASP 336.A OD2 no hydrogen 2.842 N/A SER 341.A N LEU 338.A O no hydrogen 2.955 N/A SER 341.A OG LYS 337.A O no hydrogen 2.681 N/A ILE 342.A N VAL 339.A O no hydrogen 3.157 N/A VAL 346.A N ALA 343.A O no hydrogen 3.030 N/A LYS 353.A N HIS 349.A O no hydrogen 3.256 N/A LYS 353.A NZ ILE 342.A O no hydrogen 3.206 N/A LYS 353.A NZ ALA 343.A O no hydrogen 3.249 N/A LYS 353.A NZ VAL 346.A O no hydrogen 2.839 N/A LYS 354.A N GLU 350.A O no hydrogen 2.891 N/A LYS 354.A NZ GLU 625.A OE1 no hydrogen 2.956 N/A GLY 355.A N ALA 351.A O no hydrogen 2.946 N/A ILE 356.A N VAL 352.A O no hydrogen 2.886 N/A LEU 357.A N LYS 353.A O no hydrogen 2.981 N/A LEU 358.A N LYS 354.A O no hydrogen 2.966 N/A GLN 359.A N ILE 356.A O no hydrogen 3.139 N/A GLN 359.A NE2 ILE 378.A O no hydrogen 2.826 N/A GLN 359.A NE2 ILE 483.A O no hydrogen 3.037 N/A MET 360.A N ILE 356.A O no hydrogen 2.988 N/A LEU 361.A N LEU 357.A O no hydrogen 2.956 N/A GLY 363.A N GLY 376.A O no hydrogen 2.893 N/A VAL 364.A N GLU 607.A OE1 no hydrogen 2.772 N/A HIS 365.A ND1 LEU 374.A O no hydrogen 2.914 N/A LYS 366.A N LEU 374.A O no hydrogen 3.387 N/A LYS 366.A NZ VAL 364.A O no hydrogen 2.870 N/A LYS 366.A NZ GLU 607.A OE1 no hydrogen 3.391 N/A LYS 366.A NZ GLU 607.A OE2 no hydrogen 2.773 N/A THR 368.A N ILE 372.A O no hydrogen 2.924 N/A THR 368.A OG1 ILE 372.A O no hydrogen 2.679 N/A GLY 371.A N THR 368.A O no hydrogen 2.848 N/A LYS 373.A NZ GLY 371.A O no hydrogen 3.455 N/A LEU 374.A N LYS 366.A O no hydrogen 2.882 N/A ARG 375.A NE GLU 462.A OE1 no hydrogen 2.775 N/A ARG 375.A NH1 ASP 377.A O no hydrogen 2.792 N/A ARG 375.A NH1 ASP 515.A OD1 no hydrogen 2.836 N/A ARG 375.A NH2 GLU 462.A OE1 no hydrogen 2.639 N/A ILE 378.A N SER 482.A OG no hydrogen 3.245 N/A ASN 379.A N ASP 515.A OD1 no hydrogen 2.639 N/A ASN 379.A ND2 MET 461.A O no hydrogen 3.080 N/A ASN 379.A ND2 ARG 513.A O no hydrogen 3.437 N/A ILE 380.A N ILE 483.A O no hydrogen 2.915 N/A CYS 381.A N LEU 516.A O no hydrogen 3.161 N/A CYS 381.A SG ALA 485.A O no hydrogen 3.821 N/A VAL 382.A N ALA 485.A O no hydrogen 2.657 N/A VAL 383.A N PHE 518.A O no hydrogen 2.656 N/A GLY 384.A N ALA 487.A O no hydrogen 3.028 N/A SER 387.A N ASP 385.A OD1 no hydrogen 2.742 N/A SER 387.A OG ASP 522.A OD1 no hydrogen 3.184 N/A SER 387.A OG ASP 522.A OD2 no hydrogen 2.721 N/A THR 388.A N ASP 385.A O no hydrogen 2.882 N/A THR 388.A OG1 ILE 520.A O no hydrogen 3.297 N/A LYS 390.A N THR 388.A O no hydrogen 2.811 N/A LYS 390.A NZ GLY 384.A O no hydrogen 2.877 N/A LYS 390.A NZ ALA 486.A O no hydrogen 2.771 N/A LYS 390.A NZ ALA 487.A O no hydrogen 2.967 N/A LYS 390.A NZ ASN 488.A OD1 no hydrogen 2.733 N/A SER 391.A OG ASP 444.A OD1 no hydrogen 3.481 N/A SER 391.A OG ASP 444.A OD2 no hydrogen 2.638 N/A GLN 392.A N GLN 392.A OE1 no hydrogen 2.589 N/A PHE 393.A N LYS 390.A O no hydrogen 3.144 N/A LYS 395.A N SER 391.A O no hydrogen 2.930 N/A TYR 396.A N GLN 392.A O no hydrogen 2.875 N/A VAL 397.A N PHE 393.A O no hydrogen 2.943 N/A VAL 398.A N LEU 394.A O no hydrogen 2.941 N/A GLY 399.A N LYS 395.A O no hydrogen 2.928 N/A PHE 400.A N TYR 396.A O no hydrogen 2.821 N/A PHE 400.A N VAL 397.A O no hydrogen 3.272 N/A ALA 401.A N VAL 397.A O no hydrogen 2.725 N/A ARG 403.A NE ASN 438.A O no hydrogen 2.741 N/A ARG 403.A NH2 ASN 438.A O no hydrogen 2.985 N/A SER 404.A OG VAL 398.A O no hydrogen 3.492 N/A SER 404.A OG ALA 401.A O no hydrogen 2.834 N/A VAL 405.A N ILE 440.A O no hydrogen 3.275 N/A TYR 406.A OH ASP 444.A OD2 no hydrogen 2.654 N/A THR 407.A N CYS 442.A O no hydrogen 2.899 N/A THR 407.A OG1 SER 412.A OG no hydrogen 3.419 N/A SER 412.A N SER 408.A O no hydrogen 3.255 N/A SER 412.A OG THR 407.A OG1 no hydrogen 3.419 N/A SER 412.A OG SER 408.A O no hydrogen 2.712 N/A SER 412.A OG GLY 409.A O no hydrogen 3.559 N/A GLY 416.A N SER 413.A OG no hydrogen 3.060 N/A LEU 417.A N SER 413.A O no hydrogen 2.928 N/A LEU 417.A N ALA 414.A O no hydrogen 3.171 N/A THR 418.A N ALA 414.A O no hydrogen 2.958 N/A THR 418.A OG1 ALA 414.A O no hydrogen 3.118 N/A ALA 420.A N GLU 429.A O no hydrogen 2.916 N/A VAL 422.A N THR 427.A O no hydrogen 2.756 N/A ARG 423.A NE ASP 425.A O no hydrogen 2.936 N/A ARG 423.A NH2 ASP 425.A O no hydrogen 2.899 N/A THR 427.A N VAL 422.A O no hydrogen 2.796 N/A ILE 428.A N THR 427.A OG1 no hydrogen 2.815 N/A GLU 429.A N ALA 420.A O no hydrogen 2.646 N/A GLY 431.A N THR 418.A O no hydrogen 3.298 N/A ALA 432.A N GLY 416.A O no hydrogen 3.402 N/A LEU 433.A N LEU 417.A O no hydrogen 3.013 N/A MET 434.A N GLY 431.A O no hydrogen 3.141 N/A LEU 435.A N GLY 431.A O no hydrogen 3.107 N/A ALA 436.A N ALA 432.A O no hydrogen 3.152 N/A ASP 437.A N MET 434.A O no hydrogen 3.196 N/A ASN 438.A N ARG 480.A O no hydrogen 2.538 N/A ASN 438.A ND2 ASP 437.A OD2 no hydrogen 2.918 N/A ILE 440.A N ARG 403.A O no hydrogen 3.118 N/A CYS 441.A N SER 482.A O no hydrogen 2.986 N/A CYS 442.A N VAL 405.A O no hydrogen 2.999 N/A ILE 443.A N LEU 484.A O no hydrogen 2.906 N/A ASP 444.A N THR 407.A O no hydrogen 2.746 N/A GLU 445.A N ASP 444.A OD1 no hydrogen 2.771 N/A LYS 448.A N GLU 445.A O no hydrogen 3.128 N/A MET 449.A N PHE 446.A O no hydrogen 3.020 N/A GLN 454.A N ASP 450.A O no hydrogen 2.656 N/A GLN 454.A NE2 MET 449.A O no hydrogen 2.861 N/A VAL 455.A N ILE 451.A O no hydrogen 2.848 N/A ILE 457.A N GLN 454.A O no hydrogen 3.138 N/A HIS 458.A N VAL 455.A O no hydrogen 3.367 N/A MET 461.A N ILE 457.A O no hydrogen 2.832 N/A GLU 462.A N GLU 459.A O no hydrogen 3.266 N/A GLN 463.A N GLU 459.A O no hydrogen 2.810 N/A GLN 464.A NE2 ASP 377.A OD2 no hydrogen 2.845 N/A THR 465.A OG1 GLU 459.A OE2 no hydrogen 2.614 N/A ILE 466.A N LEU 477.A O no hydrogen 2.728 N/A SER 467.A N GLU 459.A OE1 no hydrogen 2.860 N/A SER 467.A OG GLU 459.A OE1 no hydrogen 2.715 N/A SER 467.A OG GLU 459.A OE2 no hydrogen 3.563 N/A ILE 468.A N ALA 475.A O no hydrogen 2.914 N/A LYS 470.A N ILE 473.A O no hydrogen 3.147 N/A ILE 473.A N LYS 470.A O no hydrogen 2.611 N/A ALA 475.A N ILE 468.A O no hydrogen 3.228 N/A LEU 477.A N ILE 466.A O no hydrogen 2.609 N/A ALA 479.A N GLN 464.A O no hydrogen 2.847 N/A ARG 480.A N ASP 437.A OD1 no hydrogen 2.690 N/A ARG 480.A NE ASP 437.A OD1 no hydrogen 2.887 N/A ARG 480.A NH2 ASP 437.A OD1 no hydrogen 3.529 N/A ARG 480.A NH2 ASP 437.A OD2 no hydrogen 2.758 N/A THR 481.A OG1 LEU 433.A O no hydrogen 3.338 N/A THR 481.A OG1 ALA 436.A O no hydrogen 2.822 N/A SER 482.A N GLY 439.A O no hydrogen 2.973 N/A SER 482.A OG ASP 377.A OD1 no hydrogen 2.746 N/A SER 482.A OG ILE 378.A O no hydrogen 3.354 N/A ILE 483.A N ASN 379.A OD1 no hydrogen 2.882 N/A LEU 484.A N CYS 441.A O no hydrogen 2.784 N/A ALA 485.A N ILE 380.A O no hydrogen 2.969 N/A ALA 486.A N ILE 443.A O no hydrogen 3.066 N/A ASN 488.A N ASP 447.A OD1 no hydrogen 2.775 N/A ASN 488.A ND2 GLU 445.A OE1 no hydrogen 2.744 N/A ASN 488.A ND2 ASP 447.A OD1 no hydrogen 2.725 N/A VAL 490.A N ASN 503.A O no hydrogen 2.966 N/A GLY 492.A N PRO 489.A O no hydrogen 2.896 N/A ARG 493.A N GLY 491.A O no hydrogen 2.819 N/A ARG 493.A NH1 ASP 385.A OD2 no hydrogen 2.946 N/A ASN 495.A N ASN 503.A OD1 no hydrogen 2.744 N/A LYS 497.A N ASN 495.A OD1 no hydrogen 2.975 N/A LEU 498.A N ASN 495.A O no hydrogen 3.271 N/A SER 499.A OG ARG 636.A O no hydrogen 3.550 N/A LEU 500.A N ARG 636.A O no hydrogen 2.909 N/A ARG 501.A N SER 499.A OG no hydrogen 3.136 N/A ARG 501.A NH1 GLN 585.A OE1 no hydrogen 3.525 N/A ARG 501.A NH2 GLN 585.A OE1 no hydrogen 2.910 N/A ASN 503.A N SER 499.A O no hydrogen 3.061 N/A ASN 503.A ND2 ASN 495.A O no hydrogen 2.906 N/A ASN 503.A ND2 SER 499.A O no hydrogen 2.904 N/A ASN 505.A ND2 ASP 447.A O no hydrogen 2.868 N/A ILE 510.A N THR 507.A O no hydrogen 3.020 N/A MET 511.A N THR 507.A O no hydrogen 3.042 N/A SER 512.A N ALA 508.A O no hydrogen 3.071 N/A SER 512.A OG ALA 508.A O no hydrogen 2.758 N/A SER 512.A OG PRO 509.A O no hydrogen 3.236 N/A ARG 513.A N ILE 510.A O no hydrogen 3.103 N/A ARG 513.A NE HIS 458.A O no hydrogen 2.943 N/A ARG 513.A NH1 PRO 509.A O no hydrogen 2.762 N/A ARG 513.A NH2 HIS 458.A O no hydrogen 3.343 N/A ASP 515.A N ASN 379.A O no hydrogen 2.684 N/A PHE 517.A N SER 633.A OG no hydrogen 3.214 N/A PHE 518.A N CYS 381.A O no hydrogen 2.845 N/A ILE 520.A N VAL 383.A O no hydrogen 3.037 N/A ASN 525.A N ASP 529.A OD2 no hydrogen 2.812 N/A ASN 525.A ND2 ASP 523.A O no hydrogen 2.878 N/A ASN 525.A ND2 ASP 523.A OD2 no hydrogen 2.950 N/A GLU 526.A N GLU 526.A OE1 no hydrogen 2.680 N/A ASP 529.A N ASN 525.A O no hydrogen 2.668 N/A THR 530.A N GLU 526.A O no hydrogen 2.926 N/A THR 530.A OG1 GLU 526.A O no hydrogen 2.726 N/A THR 530.A OG1 LYS 527.A O no hydrogen 3.006 N/A LEU 532.A N ILE 528.A O no hydrogen 2.863 N/A ALA 533.A N ASP 529.A O no hydrogen 2.870 N/A SER 534.A N THR 530.A O no hydrogen 2.921 N/A SER 534.A OG THR 530.A O no hydrogen 2.756 N/A HIS 535.A N GLU 531.A O no hydrogen 2.858 N/A ILE 536.A N LEU 532.A O no hydrogen 2.975 N/A VAL 537.A N ALA 533.A O no hydrogen 3.077 N/A ASP 538.A N SER 534.A O no hydrogen 2.841 N/A LEU 539.A N HIS 535.A O no hydrogen 2.878 N/A HIS 540.A N ILE 536.A O no hydrogen 3.256 N/A HIS 540.A ND1 ILE 536.A O no hydrogen 2.959 N/A MET 541.A N ASP 538.A O no hydrogen 2.776 N/A SER 546.A N GLN 549.A OE1 no hydrogen 3.312 N/A GLN 549.A N SER 546.A OG no hydrogen 3.098 N/A GLN 549.A NE2 GLU 324.A OE1 no hydrogen 3.166 N/A LEU 550.A N SER 546.A O no hydrogen 2.924 N/A ARG 551.A N ALA 547.A O no hydrogen 2.905 N/A ARG 551.A NE PHE 400.A O no hydrogen 3.332 N/A ARG 551.A NH2 PHE 400.A O no hydrogen 2.982 N/A ARG 552.A N GLU 548.A O no hydrogen 2.916 N/A ARG 552.A NH1 GLU 324.A OE1 no hydrogen 2.691 N/A TYR 553.A N GLN 549.A O no hydrogen 2.918 N/A TYR 553.A OH ALA 612.A O no hydrogen 2.734 N/A ILE 554.A N LEU 550.A O no hydrogen 2.877 N/A LYS 555.A N ARG 551.A O no hydrogen 2.895 N/A TYR 556.A N ARG 552.A O no hydrogen 2.963 N/A ALA 557.A N TYR 553.A O no hydrogen 2.670 N/A ARG 558.A N ILE 554.A O no hydrogen 2.929 N/A ARG 558.A NH1 MET 360.A O no hydrogen 2.837 N/A THR 559.A N TYR 556.A O no hydrogen 2.979 N/A THR 559.A OG1 TYR 556.A O no hydrogen 2.556 N/A PHE 560.A N ALA 557.A O no hydrogen 3.115 N/A LYS 561.A NZ ARG 308.A O no hydrogen 3.251 N/A ILE 563.A N ASP 616.A O no hydrogen 2.912 N/A THR 565.A OG1 ILE 618.A O no hydrogen 2.644 N/A GLU 567.A N GLU 567.A OE1 no hydrogen 2.710 N/A ARG 569.A N THR 565.A O no hydrogen 3.141 N/A ARG 569.A NE LEU 564.A O no hydrogen 3.012 N/A ARG 569.A NH2 LEU 564.A O no hydrogen 2.865 N/A TYR 571.A N GLU 567.A O no hydrogen 3.044 N/A LEU 572.A N ALA 568.A O no hydrogen 2.817 N/A VAL 573.A N ARG 569.A O no hydrogen 2.986 N/A GLU 574.A N SER 570.A O no hydrogen 3.024 N/A LYS 575.A N TYR 571.A O no hydrogen 2.935 N/A TYR 576.A N LEU 572.A O no hydrogen 2.881 N/A LYS 577.A N VAL 573.A O no hydrogen 2.946 N/A LYS 577.A NZ GLU 574.A OE1 no hydrogen 2.883 N/A GLU 578.A N GLU 574.A O no hydrogen 2.934 N/A LEU 579.A N LYS 575.A O no hydrogen 2.999 N/A ARG 580.A N TYR 576.A O no hydrogen 2.820 N/A ARG 580.A NH1 ILE 594.A O no hydrogen 2.715 N/A LYS 581.A N LYS 577.A O no hydrogen 2.848 N/A LYS 581.A NZ GLU 578.A OE1 no hydrogen 3.007 N/A LYS 581.A NZ ASP 582.A OD1 no hydrogen 2.848 N/A ASP 582.A N GLU 578.A O no hydrogen 2.966 N/A ASP 583.A N LEU 579.A O no hydrogen 2.936 N/A ALA 584.A N LYS 581.A O no hydrogen 3.279 N/A GLN 585.A N SER 590.A O no hydrogen 2.869 N/A ARG 589.A N GLY 586.A O no hydrogen 2.991 N/A SER 590.A OG GLN 585.A O no hydrogen 2.747 N/A TYR 592.A N ASP 583.A OD2 no hydrogen 2.768 N/A ARG 593.A N ASP 583.A OD1 no hydrogen 3.096 N/A ILE 594.A N ASP 583.A OD2 no hydrogen 2.908 N/A THR 595.A N GLN 598.A OE1 no hydrogen 2.957 N/A THR 595.A OG1 GLN 598.A OE1 no hydrogen 2.789 N/A ARG 597.A N THR 595.A OG1 no hydrogen 3.034 N/A ARG 597.A NE GLU 462.A OE2 no hydrogen 2.928 N/A ARG 597.A NH1 SER 512.A OG no hydrogen 3.001 N/A GLN 598.A N THR 595.A O no hydrogen 3.118 N/A GLN 598.A NE2 SER 512.A O no hydrogen 2.879 N/A GLN 598.A NE2 PHE 514.A O no hydrogen 3.653 N/A GLU 600.A N VAL 596.A O no hydrogen 3.160 N/A SER 601.A N ARG 597.A O no hydrogen 2.874 N/A SER 601.A OG ASP 515.A O no hydrogen 3.265 N/A SER 601.A OG ASP 515.A OD2 no hydrogen 2.752 N/A MET 602.A N GLN 598.A O no hydrogen 2.945 N/A ILE 603.A N LEU 599.A O no hydrogen 3.049 N/A ARG 604.A N GLU 600.A O no hydrogen 2.945 N/A ARG 604.A NE ASP 515.A OD2 no hydrogen 2.731 N/A ARG 604.A NH1 ARG 375.A O no hydrogen 3.543 N/A ARG 604.A NH2 ASP 515.A OD2 no hydrogen 2.934 N/A LEU 605.A N SER 601.A O no hydrogen 2.870 N/A SER 606.A N MET 602.A O no hydrogen 2.894 N/A SER 606.A OG MET 602.A O no hydrogen 2.861 N/A SER 606.A OG ILE 603.A O no hydrogen 3.013 N/A GLU 607.A N ILE 603.A O no hydrogen 2.962 N/A ALA 608.A N ARG 604.A O no hydrogen 2.909 N/A ILE 609.A N LEU 605.A O no hydrogen 2.860 N/A ALA 610.A N SER 606.A O no hydrogen 2.896 N/A ARG 611.A N GLU 607.A O no hydrogen 2.923 N/A ARG 611.A NE PHE 560.A O no hydrogen 2.780 N/A ARG 611.A NH1 GLY 362.A O no hydrogen 2.656 N/A ARG 611.A NH1 GLY 363.A O no hydrogen 3.127 N/A ARG 611.A NH2 PHE 560.A O no hydrogen 3.151 N/A ALA 612.A N ALA 608.A O no hydrogen 2.873 N/A ASN 613.A N ILE 609.A O no hydrogen 2.988 N/A ASN 613.A ND2 ILE 609.A O no hydrogen 2.775 N/A CYS 614.A N ARG 611.A O no hydrogen 2.997 N/A CYS 614.A SG TYR 553.A OH no hydrogen 3.303 N/A CYS 614.A SG ARG 611.A O no hydrogen 3.682 N/A VAL 615.A N ALA 610.A O no hydrogen 3.086 N/A ILE 618.A N ILE 563.A O no hydrogen 2.766 N/A PHE 622.A N THR 619.A O no hydrogen 2.958 N/A ALA 624.A N PRO 620.A O no hydrogen 2.914 N/A GLU 625.A N SER 621.A O no hydrogen 2.946 N/A ALA 626.A N PHE 622.A O no hydrogen 2.888 N/A TYR 627.A N ILE 623.A O no hydrogen 2.865 N/A ASP 628.A N ALA 624.A O no hydrogen 2.918 N/A LEU 629.A N GLU 625.A O no hydrogen 2.833 N/A LEU 630.A N ALA 626.A O no hydrogen 3.012 N/A ARG 631.A N TYR 627.A O no hydrogen 3.047 N/A ARG 631.A NH1 ASP 628.A OD1 no hydrogen 2.810 N/A GLN 632.A N ASP 628.A O no hydrogen 3.243 N/A GLN 632.A N LEU 629.A O no hydrogen 3.322 N/A GLN 632.A NE2 ASP 628.A O no hydrogen 2.968 N/A SER 633.A N LEU 630.A O no hydrogen 3.047 N/A SER 633.A OG PHE 517.A O no hydrogen 2.918 N/A ILE 634.A N LEU 630.A O no hydrogen 3.145 N/A ILE 635.A N ARG 631.A O no hydrogen 3.120 N/A ARG 636.A N SER 633.A O no hydrogen 3.069 N/A ARG 636.A NH1 GLN 632.A O no hydrogen 2.728 N/A