Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4n2b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N TYR 22.A O no hydrogen 2.766 N/A ARG 3.A NH1 VAL 16.A O no hydrogen 2.641 N/A VAL 5.A N TRP 24.A O no hydrogen 3.113 N/A ARG 6.A NH1 ASP 26.A OD2 no hydrogen 2.745 N/A LEU 7.A N ASP 26.A O no hydrogen 3.010 N/A SER 11.A OG ARG 12.A O no hydrogen 3.003 N/A ARG 12.A NE GLU 14.A OE2 no hydrogen 3.444 N/A VAL 13.A N GLY 108.A O no hydrogen 2.910 N/A ALA 15.A N PHE 110.A O no hydrogen 2.910 N/A TYR 17.A N THR 112.A O no hydrogen 2.849 N/A LEU 19.A N ILE 114.A O no hydrogen 2.924 N/A THR 21.A N VAL 18.A O no hydrogen 3.167 N/A THR 21.A OG1 VAL 18.A O no hydrogen 2.694 N/A TYR 22.A N ARG 1.A O no hydrogen 2.895 N/A LEU 23.A N VAL 77.A O no hydrogen 2.883 N/A TRP 24.A N ARG 3.A O no hydrogen 2.915 N/A TRP 24.A NE1 THR 4.A OG1 no hydrogen 2.327 N/A THR 25.A N LEU 75.A O no hydrogen 2.769 N/A THR 25.A OG1 VAL 5.A O no hydrogen 3.192 N/A TYR 28.A N ASP 26.A OD1 no hydrogen 2.870 N/A SER 29.A N ASP 26.A OD1 no hydrogen 3.135 N/A SER 29.A OG ASP 26.A OD1 no hydrogen 3.526 N/A SER 29.A OG ASP 26.A OD2 no hydrogen 2.555 N/A ALA 31.A N TYR 28.A O no hydrogen 3.015 N/A ALA 35.A N PRO 32.A O no hydrogen 3.188 N/A GLN 36.A N TYR 96.A O no hydrogen 2.734 N/A THR 37.A N TYR 96.A O no hydrogen 3.298 N/A PHE 38.A N TRP 67.A O no hydrogen 2.919 N/A SER 39.A N ASN 94.A O no hydrogen 2.946 N/A SER 39.A OG TYR 96.A OH no hydrogen 2.706 N/A LYS 41.A N THR 92.A O no hydrogen 2.843 N/A HIS 42.A N THR 61.A O no hydrogen 2.980 N/A HIS 42.A ND1 SER 43.A O no hydrogen 2.844 N/A HIS 42.A NE2 VAL 59.A O no hydrogen 2.657 N/A SER 43.A N LYS 90.A O no hydrogen 2.988 N/A SER 43.A OG SER 88.A O no hydrogen 3.430 N/A SER 43.A OG LYS 90.A O no hydrogen 3.489 N/A VAL 46.A N SER 43.A O no hydrogen 3.323 N/A TRP 47.A N THR 78.A O no hydrogen 2.772 N/A GLU 49.A N ARG 76.A O no hydrogen 2.916 N/A VAL 50.A N GLU 57.A O no hydrogen 2.857 N/A VAL 51.A N THR 74.A O no hydrogen 2.765 N/A ARG 52.A N GLU 55.A O no hydrogen 2.747 N/A ASP 53.A N SER 72.A O no hydrogen 3.013 N/A GLU 55.A N ARG 52.A O no hydrogen 2.868 N/A GLU 57.A N VAL 50.A O no hydrogen 2.878 N/A VAL 59.A N VAL 48.A O no hydrogen 2.931 N/A GLN 65.A NE2 GLU 57.A OE2 no hydrogen 3.470 N/A ARG 66.A NH1 SER 101.A OG no hydrogen 3.199 N/A TRP 67.A N PHE 38.A O no hydrogen 2.872 N/A LEU 69.A N GLN 36.A O no hydrogen 2.917 N/A SER 70.A OG SER 72.A OG no hydrogen 2.967 N/A SER 72.A N SER 70.A OG no hydrogen 3.126 N/A SER 72.A OG SER 70.A OG no hydrogen 2.967 N/A THR 73.A N SER 70.A O no hydrogen 2.955 N/A THR 74.A N VAL 51.A O no hydrogen 2.953 N/A LEU 75.A N THR 25.A O no hydrogen 2.866 N/A ARG 76.A N GLU 49.A O no hydrogen 2.853 N/A ARG 76.A NE GLU 49.A OE1 no hydrogen 2.781 N/A ARG 76.A NH2 GLU 49.A OE1 no hydrogen 3.390 N/A ARG 76.A NH2 GLU 49.A OE2 no hydrogen 3.106 N/A VAL 77.A N LEU 23.A O no hydrogen 2.796 N/A THR 78.A N TRP 47.A O no hydrogen 2.934 N/A MET 79.A N TYR 17.A OH no hydrogen 2.964 N/A SER 83.A N ALA 113.A O no hydrogen 2.830 N/A SER 83.A OG ASP 89.A OD2 no hydrogen 2.559 N/A THR 84.A N SER 87.A OG no hydrogen 2.813 N/A ALA 86.A N THR 84.A OG1 no hydrogen 2.990 N/A SER 87.A N THR 84.A O no hydrogen 3.220 N/A SER 87.A OG THR 84.A O no hydrogen 3.283 N/A LYS 90.A N SER 43.A OG no hydrogen 3.014 N/A VAL 91.A N LEU 109.A O no hydrogen 2.933 N/A THR 92.A N LYS 41.A O no hydrogen 2.803 N/A VAL 93.A N ALA 107.A O no hydrogen 2.852 N/A ASN 94.A N SER 39.A O no hydrogen 2.891 N/A ASN 94.A ND2 GLN 106.A OE1 no hydrogen 3.266 N/A TYR 95.A N ASP 105.A O no hydrogen 2.962 N/A TYR 95.A OH VAL 27.A O no hydrogen 2.476 N/A TYR 96.A N THR 37.A O no hydrogen 2.967 N/A TYR 96.A OH SER 39.A OG no hydrogen 2.706 N/A ILE 104.A N TYR 95.A O no hydrogen 2.755 N/A ALA 107.A N VAL 93.A O no hydrogen 2.892 N/A LEU 109.A N VAL 91.A O no hydrogen 2.801 N/A PHE 110.A N VAL 13.A O no hydrogen 2.792 N/A LEU 111.A N ASP 89.A O no hydrogen 2.936 N/A THR 112.A N ALA 15.A O no hydrogen 3.051 N/A ALA 113.A N SER 83.A OG no hydrogen 2.804 N/A ILE 114.A N TYR 17.A O no hydrogen 2.909 N/A GLU 115.A N LYS 187.A O no hydrogen 2.836 N/A SER 117.A N ARG 185.A O no hydrogen 2.956 N/A SER 117.A OG ASP 119.A OD1 no hydrogen 2.641 N/A LEU 118.A N ASP 286.A OD2 no hydrogen 2.917 N/A ASP 119.A N ILE 183.A O no hydrogen 2.814 N/A ALA 122.A N GLU 129.A OE2 no hydrogen 2.948 N/A ASP 123.A N GLU 129.A OE2 no hydrogen 2.960 N/A ARG 124.A NE.A GLY 146.A O no hydrogen 2.717 N/A ARG 124.A NH1.A THR 139.A O no hydrogen 3.356 N/A ARG 124.A NH1.B GLY 146.A O no hydrogen 2.252 N/A ARG 124.A NH2.A THR 139.A O no hydrogen 2.855 N/A ARG 124.A NH2.A GLY 146.A O no hydrogen 3.282 N/A ARG 124.A NH2.B THR 139.A O no hydrogen 2.717 N/A ASP 125.A N ASP 121.A OD1 no hydrogen 3.139 N/A GLY 126.A N ASP 121.A OD2 no hydrogen 2.688 N/A VAL 127.A N ASP 125.A OD1 no hydrogen 3.019 N/A GLU 129.A N GLU 129.A OE1 no hydrogen 2.770 N/A ASN 131.A N ASP 119.A OD1 no hydrogen 3.060 N/A ASN 131.A N ASP 119.A OD2 no hydrogen 3.151 N/A ASN 132.A ND2 GLU 129.A OE2 no hydrogen 2.747 N/A ASN 132.A ND2 GLN 145.A OE1 no hydrogen 2.830 N/A LYS 134.A N ASN 132.A OD1 no hydrogen 2.911 N/A LYS 135.A N ASN 132.A O no hydrogen 3.005 N/A LYS 135.A NZ LEU 118.A O no hydrogen 2.809 N/A LYS 135.A NZ ASP 119.A OD1 no hydrogen 3.257 N/A LYS 135.A NZ ASN 131.A OD1 no hydrogen 2.778 N/A LYS 135.A NZ ASP 286.A OD1 no hydrogen 3.551 N/A LYS 135.A NZ ASP 286.A OD2 no hydrogen 2.652 N/A SER 137.A N LYS 134.A O no hydrogen 3.030 N/A TRP 138.A NE1 ALA 147.A O no hydrogen 3.018 N/A THR 139.A N GLN 145.A O no hydrogen 2.773 N/A THR 139.A OG1 GLN 145.A O no hydrogen 3.448 N/A GLY 141.A N TRP 646.A O no hydrogen 2.921 N/A GLY 144.A N GLY 141.A O no hydrogen 2.857 N/A GLN 145.A N THR 139.A OG1 no hydrogen 2.852 N/A GLN 145.A NE2 GLY 144.A O no hydrogen 3.053 N/A GLY 146.A N ALA 122.A O no hydrogen 2.824 N/A LEU 149.A N ARG 291.A O no hydrogen 2.948 N/A ASN 152.A N GLY 252.A O no hydrogen 2.963 N/A ASN 152.A ND2 ASP 175.A OD1 no hydrogen 2.893 N/A ASN 152.A ND2 ASP 175.A OD2 no hydrogen 3.278 N/A ASN 152.A ND2 GLU 251.A OE1 no hydrogen 2.914 N/A CYS 153.A SG VAL 151.A O no hydrogen 3.697 N/A ARG 155.A N GLY 372.A O no hydrogen 3.060 N/A ARG 155.A NH1 PRO 161.A O no hydrogen 3.021 N/A GLU 156.A N ASP 164.A OD1 no hydrogen 2.994 N/A GLU 163.A N GLU 163.A OE2 no hydrogen 2.699 N/A ASP 164.A N ASP 154.A O no hydrogen 2.816 N/A CYS 165.A SG ASN 152.A O no hydrogen 3.224 N/A CYS 165.A SG LEU 253.A O no hydrogen 3.951 N/A ARG 166.A N GLU 163.A O no hydrogen 3.188 N/A ARG 166.A NE GLU 163.A OE1 no hydrogen 2.972 N/A ARG 166.A NH2 LEU 253.A O no hydrogen 3.425 N/A LYS 169.A N ASP 167.A OD1 no hydrogen 3.174 N/A GLU 174.A N SER 172.A OG no hydrogen 3.101 N/A ASP 175.A N SER 172.A O no hydrogen 3.000 N/A LEU 176.A N LYS 173.A O no hydrogen 3.065 N/A LYS 177.A N GLU 174.A O no hydrogen 3.162 N/A LYS 177.A NZ GLU 174.A OE1 no hydrogen 2.912 N/A LYS 177.A NZ GLU 174.A OE2 no hydrogen 3.268 N/A ASP 178.A N ASP 175.A O no hydrogen 2.997 N/A MET 179.A N LEU 176.A O no hydrogen 3.058 N/A SER 180.A N VAL 250.A O no hydrogen 2.905 N/A SER 180.A OG ILE 148.A O no hydrogen 2.714 N/A MET 182.A N PHE 248.A O no hydrogen 3.004 N/A ILE 183.A N ASP 119.A O no hydrogen 2.867 N/A LEU 184.A N LEU 246.A O no hydrogen 2.908 N/A ARG 185.A N SER 117.A O no hydrogen 2.801 N/A ARG 185.A NE GLU 245.A OE2 no hydrogen 2.712 N/A ARG 185.A NH1 ASP 119.A OD2 no hydrogen 2.842 N/A ARG 185.A NH1 GLU 129.A O no hydrogen 3.215 N/A ARG 185.A NH2 VAL 128.A O no hydrogen 3.134 N/A THR 186.A N ALA 244.A O no hydrogen 2.973 N/A LYS 187.A N GLU 115.A O no hydrogen 3.129 N/A GLY 188.A N GLY 242.A O no hydrogen 3.119 N/A ASP 190.A N GLU 85.A OE2 no hydrogen 2.789 N/A GLU 197.A N LEU 271.A O no hydrogen 3.051 N/A VAL 199.A N SER 269.A O no hydrogen 2.881 N/A LEU 200.A N HIS 235.A O no hydrogen 2.931 N/A TYR 201.A N HIS 267.A O no hydrogen 2.859 N/A ILE 202.A N LEU 233.A O no hydrogen 2.895 N/A ASP 206.A N SER 203.A OG no hydrogen 3.012 N/A SER 207.A N MET 204.A O no hydrogen 3.077 N/A SER 207.A OG MET 204.A O no hydrogen 2.651 N/A LYS 209.A N ASP 206.A O no hydrogen 2.846 N/A LYS 209.A NZ SER 205.A O no hydrogen 3.062 N/A LYS 209.A NZ ASP 208.A OD1 no hydrogen 2.792 N/A GLY 211.A N GLU 251.A O no hydrogen 2.962 N/A VAL 212.A N LEU 228.A O no hydrogen 2.925 N/A PHE 213.A N PHE 249.A O no hydrogen 2.817 N/A TYR 214.A N ILE 225.A O no hydrogen 2.914 N/A GLU 216.A N ARG 223.A O no hydrogen 2.910 N/A GLY 221.A N PRO 218.A O no hydrogen 3.080 N/A GLN 222.A NE2 ASN 217.A OD1 no hydrogen 2.916 N/A ARG 223.A N GLU 216.A O no hydrogen 2.917 N/A ARG 223.A NE GLU 216.A OE2 no hydrogen 2.608 N/A ARG 223.A NH2 GLU 216.A OE2 no hydrogen 2.757 N/A TYR 224.A OH GLN 222.A OE1 no hydrogen 2.841 N/A ILE 225.A N TYR 214.A O no hydrogen 2.855 N/A ILE 227.A N VAL 212.A O no hydrogen 2.825 N/A GLY 229.A N LYS 232.A O no hydrogen 2.969 N/A ARG 230.A NH1 CYS 165.A O no hydrogen 3.104 N/A ARG 230.A NH1 ASP 167.A O no hydrogen 3.148 N/A ARG 230.A NH1 GLU 168.A OE2 no hydrogen 2.885 N/A ARG 230.A NH2 CYS 165.A O no hydrogen 2.833 N/A LYS 232.A N GLY 229.A O no hydrogen 2.942 N/A LYS 232.A NZ ILE 227.A O no hydrogen 2.787 N/A LYS 232.A NZ TYR 234.A O no hydrogen 3.034 N/A LYS 232.A NZ HIS 235.A ND1 no hydrogen 3.034 N/A HIS 235.A N LEU 200.A O no hydrogen 2.809 N/A VAL 237.A N ILE 198.A O no hydrogen 2.814 N/A TYR 239.A OH PRO 189.A O no hydrogen 2.795 N/A GLY 242.A N GLY 188.A O no hydrogen 2.765 N/A ALA 244.A N THR 186.A O no hydrogen 2.938 N/A LEU 246.A N LEU 184.A O no hydrogen 2.933 N/A PHE 248.A N MET 182.A O no hydrogen 2.760 N/A PHE 249.A N PHE 213.A O no hydrogen 2.846 N/A VAL 250.A N SER 180.A O no hydrogen 2.766 N/A GLU 251.A N GLY 211.A O no hydrogen 2.833 N/A GLY 252.A N LEU 150.A O no hydrogen 2.902 N/A LEU 253.A N LYS 209.A O no hydrogen 2.763 N/A CYS 254.A SG.A ASP 208.A O no hydrogen 3.201 N/A CYS 254.A SG.C PHE 255.A O no hydrogen 3.383 N/A ASP 257.A N PHE 260.A O no hydrogen 2.987 N/A GLU 258.A N ASP 257.A OD1 no hydrogen 2.735 N/A PHE 260.A N ASP 257.A O no hydrogen 2.937 N/A LEU 263.A N SER 261.A OG no hydrogen 3.131 N/A VAL 264.A N PHE 290.A O no hydrogen 2.926 N/A SER 265.A N.A ASP 206.A OD2 no hydrogen 3.149 N/A SER 265.A N.B ASP 206.A OD2 no hydrogen 3.164 N/A ILE 266.A N VAL 288.A O no hydrogen 2.970 N/A HIS 267.A N TYR 201.A O no hydrogen 3.007 N/A HIS 267.A ND1 THR 287.A OG1 no hydrogen 2.697 N/A VAL 268.A N ASP 286.A O no hydrogen 2.886 N/A SER 269.A N VAL 199.A O no hydrogen 2.839 N/A SER 269.A OG THR 285.A OG1 no hydrogen 2.814 N/A LEU 270.A N PHE 284.A O no hydrogen 2.891 N/A LEU 271.A N GLU 197.A O no hydrogen 2.827 N/A GLU 272.A N THR 281.A O no hydrogen 2.782 N/A TYR 273.A N GLY 195.A O no hydrogen 2.695 N/A THR 281.A N GLU 272.A O no hydrogen 2.914 N/A ILE 283.A N LEU 270.A O no hydrogen 2.823 N/A THR 285.A OG1 SER 269.A OG no hydrogen 2.814 N/A ASP 286.A N VAL 268.A O no hydrogen 2.876 N/A THR 287.A OG1 HIS 267.A ND1 no hydrogen 2.697 N/A VAL 288.A N ILE 266.A O no hydrogen 2.958 N/A ILE 289.A N LYS 135.A O no hydrogen 3.146 N/A PHE 290.A N VAL 264.A O no hydrogen 2.847 N/A ARG 291.A N ALA 147.A O no hydrogen 2.977 N/A ARG 291.A NH1 SER 261.A O no hydrogen 3.050 N/A ILE 292.A N GLY 262.A O no hydrogen 2.804 N/A ALA 293.A N LEU 149.A O no hydrogen 2.822 N/A TRP 295.A N GLN 439.A OE1 no hydrogen 2.797 N/A TRP 295.A NE1 VAL 359.A O no hydrogen 2.978 N/A ILE 296.A N TYR 349.A O no hydrogen 2.986 N/A MET 297.A N GLN 442.A OE1 no hydrogen 2.795 N/A ASN 300.A ND2 PHE 463.A O no hydrogen 3.067 N/A LEU 302.A N PRO 299.A O no hydrogen 3.089 N/A VAL 305.A N ARG 637.A O no hydrogen 2.795 N/A SER 306.A N ARG 637.A O no hydrogen 3.238 N/A VAL 307.A N GLU 332.A O no hydrogen 2.736 N/A PHE 308.A N ASN 635.A O no hydrogen 2.837 N/A VAL 309.A N LYS 334.A O no hydrogen 2.831 N/A CYS 310.A N GLY 633.A O no hydrogen 2.950 N/A CYS 310.A SG ASP 338.A O no hydrogen 3.031 N/A CYS 310.A SG GLY 633.A O no hydrogen 3.850 N/A CYS 311.A N CYS 336.A O no hydrogen 3.418 N/A CYS 311.A SG MET 312.A O no hydrogen 3.475 N/A ASN 315.A N MET 312.A O no hydrogen 3.028 N/A ASN 315.A ND2 ASP 619.A O no hydrogen 3.166 N/A LEU 319.A N ASN 315.A O no hydrogen 3.259 N/A LYS 320.A N TYR 316.A O no hydrogen 2.798 N/A GLU 321.A N LEU 317.A O no hydrogen 2.924 N/A VAL 322.A N PHE 318.A O no hydrogen 2.886 N/A LYS 323.A N LEU 319.A O no hydrogen 2.974 N/A LYS 323.A NZ GLU 327.A OE2 no hydrogen 2.954 N/A ASN 324.A N LYS 320.A O no hydrogen 2.977 N/A LEU 325.A N GLU 321.A O no hydrogen 2.990 N/A VAL 326.A N VAL 322.A O no hydrogen 2.915 N/A GLU 327.A N LYS 323.A O no hydrogen 2.908 N/A LYS 328.A N LEU 325.A O no hydrogen 3.081 N/A LYS 328.A NZ ASP 582.A OD1 no hydrogen 2.836 N/A LYS 328.A NZ GLU 613.A OE1 no hydrogen 2.453 N/A THR 329.A N VAL 326.A O no hydrogen 2.867 N/A THR 329.A OG1 VAL 326.A O no hydrogen 2.655 N/A CYS 331.A N THR 329.A OG1 no hydrogen 3.029 N/A CYS 331.A SG PRO 304.A O no hydrogen 3.676 N/A CYS 331.A SG THR 329.A OG1 no hydrogen 3.331 N/A GLU 332.A N VAL 305.A O no hydrogen 3.037 N/A LYS 334.A N VAL 307.A O no hydrogen 2.862 N/A CYS 336.A N VAL 309.A O no hydrogen 2.848 N/A GLN 342.A N ARG 339.A O no hydrogen 2.998 N/A GLN 342.A NE2.A THR 634.A O no hydrogen 3.134 N/A GLN 342.A NE2.B ASP 458.A OD2 no hydrogen 3.072 N/A GLN 342.A NE2.B ASN 575.A OD1 no hydrogen 3.025 N/A ASP 343.A N ARG 339.A O no hydrogen 2.996 N/A GLU 344.A N TRP 340.A O no hydrogen 2.700 N/A GLU 346.A N LEU 361.A O no hydrogen 3.023 N/A GLY 348.A N VAL 359.A O no hydrogen 2.879 N/A TYR 349.A N ILE 296.A O no hydrogen 2.765 N/A ILE 350.A N PHE 357.A O no hydrogen 3.051 N/A ALA 352.A N LYS 355.A O no hydrogen 2.721 N/A LYS 355.A N ALA 352.A O no hydrogen 3.257 N/A LYS 355.A NZ ASP 178.A OD1 no hydrogen 2.860 N/A LYS 355.A NZ ASP 374.A OD1 no hydrogen 2.875 N/A LYS 355.A NZ ASP 374.A OD2 no hydrogen 3.000 N/A PHE 357.A N ILE 350.A O no hydrogen 3.090 N/A VAL 359.A N GLY 348.A O no hydrogen 2.899 N/A VAL 360.A N GLY 376.A O no hydrogen 2.783 N/A LEU 361.A N GLU 346.A O no hydrogen 2.907 N/A ASP 362.A N VAL 378.A O no hydrogen 2.967 N/A SER 363.A N GLU 344.A O no hydrogen 2.834 N/A SER 363.A OG.A ASP 391.A O no hydrogen 2.667 N/A SER 363.A OG.B ASP 343.A O no hydrogen 3.566 N/A LYS 368.A NZ GLU 163.A OE2 no hydrogen 3.054 N/A GLU 369.A N PRO 366.A O no hydrogen 3.089 N/A LEU 370.A N VAL 367.A O no hydrogen 3.041 N/A LEU 371.A N LYS 368.A O no hydrogen 3.064 N/A GLY 372.A N PHE 375.A O no hydrogen 3.026 N/A ASP 374.A N ASP 154.A OD2 no hydrogen 2.838 N/A PHE 375.A N GLY 372.A O no hydrogen 3.012 N/A GLY 376.A N PRO 358.A O no hydrogen 2.818 N/A TYR 377.A N CYS 153.A O no hydrogen 3.036 N/A TYR 377.A OH ASP 362.A OD1 no hydrogen 2.584 N/A VAL 378.A N VAL 360.A O no hydrogen 2.904 N/A THR 379.A OG1 ASP 362.A O no hydrogen 2.778 N/A ARG 380.A NE ASP 257.A OD2 no hydrogen 2.520 N/A ARG 380.A NH1 THR 379.A O no hydrogen 2.965 N/A ARG 380.A NH2 ASP 257.A OD2 no hydrogen 2.739 N/A THR 388.A N ASP 391.A OD1 no hydrogen 2.915 N/A SER 389.A OG VAL 454.A O no hydrogen 2.486 N/A SER 389.A OG HIS 456.A NE2 no hydrogen 3.207 N/A LEU 390.A N THR 388.A OG1 no hydrogen 3.046 N/A ASP 391.A N THR 388.A O no hydrogen 2.980 N/A SER 392.A N SER 389.A O no hydrogen 3.099 N/A SER 392.A OG.B ASP 343.A OD1 no hydrogen 2.365 N/A PHE 393.A N ASP 343.A O no hydrogen 2.747 N/A GLY 394.A N ASP 343.A OD1 no hydrogen 3.189 N/A GLY 394.A N SER 392.A OG.B no hydrogen 3.183 N/A ASN 395.A N SER 392.A O no hydrogen 2.922 N/A ASN 395.A ND2 LEU 390.A O no hydrogen 2.960 N/A ASN 395.A ND2 GLY 417.A O no hydrogen 3.052 N/A LEU 396.A N PHE 393.A O no hydrogen 3.089 N/A GLU 397.A N LEU 415.A O no hydrogen 3.030 N/A SER 399.A N ARG 413.A O no hydrogen 2.848 N/A SER 399.A OG PRO 400.A O no hydrogen 2.864 N/A SER 399.A OG ARG 413.A O no hydrogen 3.521 N/A VAL 402.A N TYR 409.A O no hydrogen 3.261 N/A VAL 404.A N LYS 407.A O no hydrogen 2.770 N/A LYS 407.A N VAL 404.A O no hydrogen 2.888 N/A LYS 407.A NZ SER 651.A OG no hydrogen 3.398 N/A TYR 409.A N VAL 402.A O no hydrogen 2.806 N/A GLY 412.A N TYR 409.A O no hydrogen 2.997 N/A ARG 413.A N SER 399.A OG no hydrogen 2.865 N/A ARG 413.A NE ALA 443.A O no hydrogen 2.943 N/A ARG 413.A NH1 GLU 543.A O no hydrogen 2.984 N/A ARG 413.A NH1 GLU 543.A OE1 no hydrogen 2.932 N/A ARG 413.A NH2 ALA 443.A O no hydrogen 3.185 N/A ILE 414.A N GLN 442.A O no hydrogen 2.846 N/A LEU 415.A N GLU 397.A O no hydrogen 2.798 N/A ILE 416.A N VAL 445.A O no hydrogen 3.070 N/A GLY 417.A N ASN 395.A OD1 no hydrogen 2.946 N/A SER 418.A N LEU 447.A O no hydrogen 2.791 N/A SER 418.A OG SER 419.A O no hydrogen 3.406 N/A SER 418.A OG GLU 446.A OE2 no hydrogen 3.358 N/A SER 419.A N SER 418.A OG no hydrogen 2.643 N/A SER 419.A OG ARG 426.A O no hydrogen 2.633 N/A SER 423.A N PHE 420.A O no hydrogen 3.011 N/A SER 423.A OG PHE 420.A O no hydrogen 2.565 N/A GLY 425.A N SER 423.A OG no hydrogen 3.029 N/A ARG 426.A N ASP 450.A OD1 no hydrogen 3.003 N/A ARG 426.A NE ASP 450.A OD2 no hydrogen 2.681 N/A ARG 426.A NH1 THR 453.A O no hydrogen 3.107 N/A ARG 426.A NH2 ASP 450.A OD2 no hydrogen 3.014 N/A ARG 426.A NH2 THR 453.A O no hydrogen 3.089 N/A ARG 427.A NE GLU 446.A OE2 no hydrogen 2.895 N/A ARG 427.A NH2 GLU 446.A OE1 no hydrogen 2.901 N/A THR 429.A N ASP 391.A OD2 no hydrogen 2.700 N/A THR 429.A OG1 ASP 391.A OD2 no hydrogen 2.899 N/A LYS 430.A N GLU 385.A OE1 no hydrogen 2.875 N/A LYS 430.A NZ ASP 434.A OD1 no hydrogen 3.392 N/A LYS 430.A NZ ASP 434.A OD2 no hydrogen 2.942 N/A VAL 432.A N THR 429.A O no hydrogen 3.214 N/A ARG 433.A N THR 429.A O no hydrogen 3.078 N/A ARG 433.A NE MET 428.A O no hydrogen 2.794 N/A ASP 434.A N LYS 430.A O no hydrogen 2.704 N/A PHE 435.A N VAL 431.A O no hydrogen 3.197 N/A LEU 436.A N VAL 432.A O no hydrogen 2.944 N/A LYS 437.A N ARG 433.A O no hydrogen 2.972 N/A ALA 438.A N ASP 434.A O no hydrogen 2.928 N/A GLN 439.A N LEU 436.A O no hydrogen 3.240 N/A GLN 439.A NE2 PRO 256.A O no hydrogen 2.889 N/A GLN 439.A NE2 PHE 435.A O no hydrogen 2.887 N/A GLN 440.A N LYS 437.A O no hydrogen 3.114 N/A VAL 441.A N GLN 439.A O no hydrogen 2.745 N/A GLN 442.A NE2 MET 297.A O no hydrogen 2.861 N/A GLN 442.A NE2 LEU 411.A O no hydrogen 2.823 N/A ALA 443.A N GLN 440.A O no hydrogen 3.315 N/A VAL 445.A N ILE 414.A O no hydrogen 2.824 N/A LEU 447.A N ILE 416.A O no hydrogen 2.816 N/A TYR 448.A N ASN 536.A OD1 no hydrogen 2.742 N/A SER 449.A N SER 418.A O no hydrogen 2.964 N/A SER 449.A OG ASN 395.A OD1 no hydrogen 3.510 N/A SER 449.A OG GLY 455.A O no hydrogen 2.832 N/A ASP 450.A N SER 418.A O no hydrogen 3.150 N/A TRP 451.A NE1 TYR 448.A O no hydrogen 2.906 N/A LEU 452.A N SER 449.A O no hydrogen 3.064 N/A THR 453.A N ALA 566.A O no hydrogen 2.810 N/A THR 453.A OG1 ASP 561.A OD2 no hydrogen 2.704 N/A THR 453.A OG1 ALA 566.A O no hydrogen 3.318 N/A HIS 456.A N GLU 459.A OE2 no hydrogen 2.948 N/A HIS 456.A NE2 SER 389.A O no hydrogen 2.809 N/A VAL 457.A N ASN 395.A OD1 no hydrogen 3.083 N/A ASP 458.A N GLY 394.A O no hydrogen 3.138 N/A GLU 459.A N HIS 456.A O no hydrogen 3.016 N/A PHE 460.A N VAL 457.A O no hydrogen 3.166 N/A MET 461.A N VAL 457.A O no hydrogen 3.238 N/A SER 462.A N LEU 475.A O no hydrogen 3.007 N/A SER 462.A OG.A VAL 574.A O no hydrogen 2.985 N/A VAL 464.A N LEU 473.A O no hydrogen 3.035 N/A ILE 466.A N LYS 471.A O no hydrogen 2.944 N/A THR 469.A N ILE 466.A O no hydrogen 3.136 N/A THR 469.A OG1 ILE 466.A O no hydrogen 2.645 N/A LYS 471.A N THR 469.A OG1 no hydrogen 2.970 N/A LEU 473.A N VAL 464.A O no hydrogen 2.814 N/A LEU 474.A N ASP 550.A O no hydrogen 2.778 N/A LEU 475.A N SER 462.A O no hydrogen 2.759 N/A MET 476.A N ILE 552.A O no hydrogen 2.917 N/A ALA 477.A N PHE 460.A O no hydrogen 2.909 N/A SER 478.A N LEU 554.A O no hydrogen 2.745 N/A SER 478.A OG GLN 530.A OE1 no hydrogen 3.556 N/A THR 479.A OG1 ASN 526.A O no hydrogen 2.973 N/A THR 479.A OG1 GLN 530.A OE1 no hydrogen 3.276 N/A SER 480.A N GLN 530.A OE1 no hydrogen 3.051 N/A SER 480.A OG.A SER 478.A OG no hydrogen 3.120 N/A ALA 481.A N SER 478.A OG no hydrogen 2.935 N/A TYR 483.A N THR 479.A O no hydrogen 2.934 N/A LYS 484.A N SER 480.A O no hydrogen 2.990 N/A LEU 485.A N ALA 481.A O no hydrogen 3.111 N/A PHE 486.A N CYS 482.A O no hydrogen 2.923 N/A ARG 487.A N TYR 483.A O no hydrogen 2.883 N/A GLU 488.A N LYS 484.A O no hydrogen 2.940 N/A LYS 489.A N LEU 485.A O no hydrogen 2.932 N/A GLN 490.A N PHE 486.A O no hydrogen 2.908 N/A GLN 490.A NE2 ASN 514.A OD1 no hydrogen 2.809 N/A LYS 491.A N ARG 487.A O no hydrogen 3.002 N/A ASP 492.A N GLU 488.A O no hydrogen 2.899 N/A GLY 493.A N GLN 490.A O no hydrogen 2.951 N/A HIS 494.A N LYS 489.A O no hydrogen 2.889 N/A ALA 497.A N HIS 494.A O no hydrogen 2.952 N/A MET 499.A N ILE 511.A O no hydrogen 2.717 N/A PHE 500.A N PHE 589.A O no hydrogen 2.874 N/A LEU 503.A N PHE 500.A O no hydrogen 3.003 N/A GLY 505.A N HIS 624.A O no hydrogen 2.869 N/A MET 506.A N LEU 503.A O no hydrogen 2.983 N/A SER 507.A N GLY 504.A O no hydrogen 3.362 N/A SER 507.A OG LEU 503.A O no hydrogen 3.456 N/A SER 507.A OG GLY 504.A O no hydrogen 3.502 N/A LYS 509.A N MET 506.A O no hydrogen 3.095 N/A ARG 510.A N SER 507.A O no hydrogen 3.047 N/A ILE 513.A N ALA 497.A O no hydrogen 3.115 N/A ASN 514.A N GLY 495.A O no hydrogen 2.769 N/A ASN 514.A ND2 GLU 496.A OE2 no hydrogen 2.814 N/A LYS 515.A N THR 512.A OG1 no hydrogen 2.972 N/A ILE 516.A N THR 512.A O no hydrogen 3.006 N/A LEU 517.A N ILE 513.A O no hydrogen 2.871 N/A SER 518.A N.A ASN 514.A O no hydrogen 3.010 N/A SER 518.A N.B ASN 514.A O no hydrogen 3.002 N/A SER 518.A OG.A ASN 514.A O no hydrogen 3.126 N/A SER 518.A OG.A LYS 515.A O no hydrogen 3.428 N/A SER 518.A OG.B ASN 514.A O no hydrogen 2.985 N/A ASN 519.A N ILE 516.A O no hydrogen 3.200 N/A SER 521.A OG ASN 519.A OD1 no hydrogen 3.112 N/A LEU 522.A N ASN 519.A OD1 no hydrogen 3.122 N/A VAL 523.A N ASN 519.A O no hydrogen 3.089 N/A GLN 524.A N GLU 520.A O no hydrogen 3.173 N/A GLU 525.A N SER 521.A O no hydrogen 2.935 N/A ASN 526.A N LEU 522.A O no hydrogen 3.012 N/A ASN 526.A ND2 LEU 522.A O no hydrogen 3.049 N/A ASN 526.A ND2 PHE 558.A O no hydrogen 2.879 N/A LEU 527.A N VAL 523.A O no hydrogen 2.972 N/A TYR 528.A N GLN 524.A O no hydrogen 3.135 N/A PHE 529.A N GLU 525.A O no hydrogen 2.901 N/A GLN 530.A N ASN 526.A O no hydrogen 2.828 N/A GLN 530.A NE2 ASP 534.A OD1 no hydrogen 2.890 N/A ARG 531.A N LEU 527.A O no hydrogen 3.093 N/A CYS 532.A N TYR 528.A O no hydrogen 3.096 N/A CYS 532.A SG TYR 528.A O no hydrogen 3.510 N/A LEU 533.A N PHE 529.A O no hydrogen 2.892 N/A ASP 534.A N GLN 530.A O no hydrogen 2.798 N/A TRP 535.A N ARG 531.A O no hydrogen 2.974 N/A ASN 536.A N CYS 532.A O no hydrogen 3.297 N/A ASN 536.A ND2 TYR 448.A O no hydrogen 2.808 N/A ASN 536.A ND2 CYS 532.A O no hydrogen 2.963 N/A ARG 537.A N LEU 533.A O no hydrogen 2.833 N/A ARG 537.A NE GLU 548.A OE1 no hydrogen 3.414 N/A ARG 537.A NE GLU 548.A OE2 no hydrogen 2.879 N/A ARG 537.A NH1 ASP 553.A OD1 no hydrogen 3.416 N/A ARG 537.A NH1 ASP 553.A OD2 no hydrogen 2.796 N/A ARG 537.A NH2 GLU 548.A OE1 no hydrogen 2.794 N/A ARG 537.A NH2 ASP 553.A OD1 no hydrogen 2.938 N/A ASP 538.A N ASP 534.A O no hydrogen 3.017 N/A ILE 539.A N TRP 535.A O no hydrogen 3.185 N/A LEU 540.A N ASN 536.A O no hydrogen 2.854 N/A LYS 541.A N ARG 537.A O no hydrogen 2.882 N/A LYS 541.A NZ GLU 548.A OE2 no hydrogen 2.788 N/A LYS 542.A N ASP 538.A O no hydrogen 2.985 N/A GLU 543.A N ILE 539.A O no hydrogen 2.820 N/A LEU 544.A N LEU 540.A O no hydrogen 2.861 N/A LEU 546.A N LYS 541.A O no hydrogen 3.024 N/A THR 547.A N ASP 550.A OD2 no hydrogen 2.855 N/A THR 547.A OG1 GLN 549.A OE1 no hydrogen 3.402 N/A THR 547.A OG1 ASP 550.A OD2 no hydrogen 3.481 N/A GLN 549.A N THR 547.A OG1 no hydrogen 3.140 N/A ASP 550.A N THR 547.A O no hydrogen 2.913 N/A ILE 551.A N GLU 548.A O no hydrogen 3.208 N/A ILE 552.A N LEU 474.A O no hydrogen 2.941 N/A LEU 554.A N MET 476.A O no hydrogen 2.853 N/A ALA 556.A N SER 478.A O no hydrogen 2.948 N/A PHE 558.A N ASN 526.A OD1 no hydrogen 2.961 N/A LYS 559.A N ARG 567.A O no hydrogen 2.804 N/A MET 560.A N GLU 525.A OE1 no hydrogen 3.315 N/A ASP 561.A N ARG 565.A O no hydrogen 2.784 N/A GLU 562.A N GLU 562.A OE1 no hydrogen 2.665 N/A ASP 563.A N ASP 561.A OD1 no hydrogen 2.834 N/A HIS 564.A N ASP 561.A O no hydrogen 3.053 N/A ARG 565.A N ASP 561.A OD1 no hydrogen 2.866 N/A ARG 565.A NE ASP 450.A O no hydrogen 2.721 N/A ARG 565.A NH2 ASP 450.A OD1 no hydrogen 2.996 N/A ALA 566.A N TRP 451.A O no hydrogen 2.756 N/A ARG 567.A N LYS 559.A O no hydrogen 2.945 N/A PHE 569.A N LEU 557.A O no hydrogen 2.807 N/A ASN 575.A N ASN 572.A O no hydrogen 3.442 N/A ILE 577.A N GLY 584.A O no hydrogen 2.841 N/A LEU 579.A N ASP 582.A O no hydrogen 2.774 N/A LYS 581.A NZ ASP 582.A OD2 no hydrogen 2.810 N/A LYS 581.A NZ GLU 613.A OE2 no hydrogen 2.899 N/A ASP 582.A N LEU 579.A O no hydrogen 2.977 N/A LEU 583.A N GLU 613.A O no hydrogen 2.867 N/A GLY 584.A N ILE 577.A O no hydrogen 2.912 N/A ILE 585.A N THR 615.A O no hydrogen 2.716 N/A LYS 587.A N ILE 617.A O no hydrogen 2.908 N/A LYS 587.A NZ GLU 600.A OE2 no hydrogen 2.681 N/A VAL 593.A N GLU 596.A O no hydrogen 2.866 N/A GLU 596.A N VAL 593.A O no hydrogen 3.273 N/A CYS 598.A N PRO 591.A O no hydrogen 2.903 N/A CYS 598.A SG PRO 591.A O no hydrogen 3.424 N/A MET 601.A N CYS 597.A O no hydrogen 3.005 N/A HIS 602.A N CYS 598.A O no hydrogen 3.015 N/A VAL 603.A N LEU 599.A O no hydrogen 2.918 N/A ARG 604.A N GLU 600.A O no hydrogen 2.957 N/A ARG 604.A NH1 GLU 608.A OE2 no hydrogen 2.822 N/A ARG 604.A NH1 CYS 614.A O no hydrogen 2.931 N/A ARG 604.A NH2 CYS 614.A O no hydrogen 3.255 N/A GLY 605.A N MET 601.A O no hydrogen 2.981 N/A LEU 606.A N HIS 602.A O no hydrogen 3.135 N/A LEU 606.A N VAL 603.A O no hydrogen 3.086 N/A LEU 607.A N VAL 603.A O no hydrogen 2.982 N/A GLU 608.A N ARG 604.A O no hydrogen 2.843 N/A LEU 610.A N LEU 607.A O no hydrogen 3.021 N/A GLY 611.A N GLU 608.A O no hydrogen 2.963 N/A GLU 613.A N LYS 581.A O no hydrogen 2.817 N/A THR 615.A N LEU 583.A O no hydrogen 2.878 N/A ILE 617.A N ILE 585.A O no hydrogen 2.756 N/A ASP 618.A N GLU 321.A OE1 no hydrogen 2.826 N/A SER 621.A N ASP 618.A OD2 no hydrogen 2.844 N/A SER 621.A OG ASP 618.A OD1 no hydrogen 2.491 N/A SER 621.A OG ASP 618.A OD2 no hydrogen 3.356 N/A TYR 623.A N ILE 620.A O no hydrogen 2.829 N/A HIS 624.A N SER 621.A O no hydrogen 2.976 N/A HIS 631.A ND1 ASP 338.A OD1 no hydrogen 3.249 N/A CYS 632.A SG.B ASP 619.A OD2 no hydrogen 3.198 N/A GLY 633.A N CYS 310.A O no hydrogen 3.083 N/A THR 634.A N GLN 342.A OE1.B no hydrogen 3.201 N/A ASN 635.A N PHE 308.A O no hydrogen 2.816 N/A ASN 635.A ND2 ILE 341.A O no hydrogen 2.803 N/A ASN 635.A ND2 ILE 345.A O no hydrogen 2.996 N/A ARG 637.A N SER 306.A O no hydrogen 2.808 N/A ARG 637.A NH1 ARG 638.A O no hydrogen 3.406 N/A ARG 638.A NH1 LEU 302.A O no hydrogen 2.901 N/A ARG 638.A NH1 VAL 578.A O no hydrogen 3.245 N/A ARG 638.A NH2 VAL 578.A O no hydrogen 2.833 N/A LYS 639.A N PRO 303.A O no hydrogen 2.894 N/A LYS 644.A NZ GLU 351.A OE2 no hydrogen 2.673 N/A TRP 645.A NE1 GLU 351.A O no hydrogen 2.809 N/A HIS 647.A N LYS 644.A O no hydrogen 2.878 N/A MET 648.A N TRP 645.A O no hydrogen 3.019 N/A