Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ium_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 7.A NE GLU 34.A OE2 no hydrogen 3.110 N/A GLY 9.A N PRO 23.A O no hydrogen 2.437 N/A GLN 11.A NE2 ASP 13.A OD1 no hydrogen 3.202 N/A ASP 13.A N VAL 20.A O no hydrogen 3.056 N/A TYR 15.A N GLN 18.A O no hydrogen 2.968 N/A GLN 18.A N TYR 15.A O no hydrogen 3.151 N/A VAL 20.A N ASP 13.A O no hydrogen 3.189 N/A GLU 28.A N ARG 25.A O no hydrogen 2.712 N/A ASP 29.A N TRP 26.A O no hydrogen 3.120 N/A ARG 31.A N ASP 29.A OD1 no hydrogen 2.824 N/A SER 32.A N ASP 29.A OD1 no hydrogen 2.700 N/A SER 32.A OG ASP 29.A OD1 no hydrogen 3.186 N/A SER 32.A OG THR 35.A OG1 no hydrogen 2.950 N/A THR 35.A N SER 32.A O no hydrogen 2.629 N/A THR 35.A OG1 TRP 26.A O no hydrogen 3.414 N/A THR 35.A OG1 ASP 29.A O no hydrogen 3.118 N/A THR 35.A OG1 SER 32.A OG no hydrogen 2.950 N/A GLU 36.A N SER 32.A O no hydrogen 3.036 N/A ALA 37.A N PRO 33.A O no hydrogen 3.256 N/A TRP 38.A NE1 THR 6.A OG1 no hydrogen 3.255 N/A VAL 39.A N THR 35.A O no hydrogen 2.944 N/A ALA 41.A N ALA 37.A O no hydrogen 3.076 N/A GLN 42.A N TRP 38.A O no hydrogen 2.729 N/A GLN 42.A NE2 GLN 617.A OE1 no hydrogen 3.056 N/A ASN 43.A N VAL 39.A O no hydrogen 2.812 N/A ALA 44.A N LYS 40.A O no hydrogen 3.198 N/A VAL 45.A N ALA 41.A O no hydrogen 3.380 N/A THR 46.A N GLN 42.A O no hydrogen 3.021 N/A THR 46.A OG1 GLN 42.A O no hydrogen 3.382 N/A THR 46.A OG1 ILE 628.A O no hydrogen 2.628 N/A GLN 47.A N ASN 43.A O no hydrogen 2.850 N/A ASP 48.A N ALA 44.A O no hydrogen 3.052 N/A TYR 49.A N VAL 45.A O no hydrogen 2.929 N/A TYR 49.A OH GLU 651.A OE2 no hydrogen 2.414 N/A LEU 50.A N THR 46.A O no hydrogen 2.843 N/A ALA 51.A N GLN 47.A O no hydrogen 2.886 N/A GLN 52.A N TYR 49.A O no hydrogen 3.254 N/A GLN 52.A NE2 TYR 49.A O no hydrogen 3.413 N/A ILE 53.A N LEU 50.A O no hydrogen 2.888 N/A TYR 55.A OH TYR 653.A O no hydrogen 2.746 N/A ARG 56.A NH1 ASP 643.A OD1 no hydrogen 2.887 N/A ILE 59.A N TYR 55.A O no hydrogen 3.074 N/A LYS 60.A N ARG 56.A O no hydrogen 2.943 N/A GLU 61.A N ALA 57.A O no hydrogen 2.888 N/A LYS 62.A N ALA 58.A O no hydrogen 3.258 N/A LEU 63.A N ILE 59.A O no hydrogen 3.124 N/A ALA 64.A N LYS 60.A O no hydrogen 2.857 N/A ALA 65.A N GLU 61.A O no hydrogen 2.982 N/A SER 66.A N LYS 62.A O no hydrogen 3.249 N/A SER 66.A N LEU 63.A O no hydrogen 3.270 N/A SER 66.A OG LYS 62.A O no hydrogen 2.867 N/A SER 66.A OG LEU 63.A O no hydrogen 3.332 N/A LYS 71.A N ASN 87.A O no hydrogen 2.752 N/A GLY 73.A N PHE 85.A O no hydrogen 2.635 N/A PHE 76.A N TYR 83.A O no hydrogen 2.777 N/A GLU 78.A N TYR 81.A O no hydrogen 3.044 N/A ARG 80.A NE GLU 153.A OE2 no hydrogen 2.904 N/A ARG 80.A NH2 GLU 153.A OE1 no hydrogen 2.611 N/A TYR 81.A N GLU 78.A O no hydrogen 3.337 N/A TYR 81.A OH GLU 153.A OE1 no hydrogen 2.798 N/A TYR 81.A OH GLU 153.A OE2 no hydrogen 3.373 N/A HIS 82.A N GLN 99.A O no hydrogen 2.886 N/A TYR 83.A N PHE 76.A O no hydrogen 2.795 N/A PHE 84.A N TRP 97.A O no hydrogen 3.046 N/A LYS 86.A N VAL 95.A O no hydrogen 2.896 N/A ASN 87.A N LYS 71.A O no hydrogen 2.976 N/A ASN 87.A ND2 GLN 91.A O no hydrogen 3.127 N/A ASN 87.A ND2 ASN 94.A OD1 no hydrogen 2.819 N/A GLY 89.A N ASN 87.A OD1 no hydrogen 2.840 N/A LEU 90.A N ASP 88.A OD2 no hydrogen 2.802 N/A GLN 91.A N ASP 88.A OD2 no hydrogen 3.059 N/A GLN 93.A N ASN 112.A OD1 no hydrogen 2.893 N/A GLN 93.A NE2 THR 120.A O no hydrogen 2.794 N/A VAL 95.A N LYS 86.A O no hydrogen 2.837 N/A LEU 96.A N LEU 109.A O no hydrogen 2.969 N/A TRP 97.A N PHE 84.A O no hydrogen 2.777 N/A ARG 98.A N GLU 106.A O no hydrogen 2.737 N/A ARG 98.A NE GLU 106.A OE2 no hydrogen 3.470 N/A ARG 98.A NH1 TYR 83.A OH no hydrogen 3.193 N/A ARG 98.A NH1 VAL 152.A O no hydrogen 2.895 N/A ARG 98.A NH2 GLU 106.A OE2 no hydrogen 3.267 N/A ARG 98.A NH2 VAL 152.A O no hydrogen 3.557 N/A GLN 99.A N HIS 82.A O no hydrogen 2.835 N/A GLN 99.A NE2 LYS 103.A O no hydrogen 2.848 N/A LYS 103.A N GLN 100.A O no hydrogen 2.894 N/A GLU 106.A N ARG 98.A O no hydrogen 2.747 N/A PHE 108.A N LEU 96.A O no hydrogen 2.763 N/A LEU 109.A N LEU 96.A O no hydrogen 3.023 N/A ASN 112.A N ASP 110.A OD1 no hydrogen 2.929 N/A ASN 112.A ND2 GLN 93.A O no hydrogen 3.036 N/A ASN 112.A ND2 ASP 110.A OD1 no hydrogen 2.667 N/A THR 113.A N ASP 110.A O no hydrogen 3.334 N/A THR 113.A OG1 ASP 110.A O no hydrogen 2.835 N/A LEU 114.A N PRO 111.A O no hydrogen 3.147 N/A SER 115.A OG THR 119.A OG1 no hydrogen 3.208 N/A ASP 117.A N SER 115.A OG no hydrogen 3.270 N/A GLY 118.A N SER 115.A O no hydrogen 2.791 N/A THR 119.A N SER 115.A OG no hydrogen 2.585 N/A THR 119.A OG1 SER 115.A OG no hydrogen 3.208 N/A THR 119.A OG1 ASP 117.A OD1 no hydrogen 2.560 N/A ALA 121.A N SER 139.A O no hydrogen 2.858 N/A LEU 122.A N GLN 93.A OE1 no hydrogen 2.907 N/A ASP 123.A N SER 137.A O no hydrogen 2.724 N/A GLN 124.A N SER 137.A OG no hydrogen 2.781 N/A GLN 124.A NE2 ASP 123.A OD1 no hydrogen 3.243 N/A SER 126.A N ALA 135.A O no hydrogen 2.785 N/A SER 126.A OG ILE 170.A O no hydrogen 3.098 N/A SER 128.A N ILE 133.A O no hydrogen 2.887 N/A SER 128.A OG ASP 130.A OD1 no hydrogen 2.741 N/A SER 128.A OG ILE 133.A O no hydrogen 3.445 N/A SER 128.A OG ASN 175.A OD1 no hydrogen 3.560 N/A ARG 129.A N GLY 174.A O no hydrogen 3.107 N/A ARG 129.A NE ASP 227.A OD1 no hydrogen 3.344 N/A ARG 129.A NE ASP 227.A OD2 no hydrogen 2.877 N/A ARG 129.A NH2 ASP 227.A OD1 no hydrogen 2.537 N/A ASP 130.A N ASN 175.A OD1 no hydrogen 2.794 N/A GLY 131.A N SER 128.A O no hydrogen 2.685 N/A ARG 132.A N ASP 130.A OD1 no hydrogen 2.720 N/A ILE 133.A N SER 128.A OG no hydrogen 3.089 N/A ALA 135.A N SER 126.A O no hydrogen 2.903 N/A TYR 136.A N HIS 149.A O no hydrogen 2.998 N/A SER 137.A N GLN 124.A O no hydrogen 2.906 N/A LEU 138.A N GLU 147.A O no hydrogen 3.077 N/A SER 139.A N ALA 121.A O no hydrogen 2.812 N/A SER 139.A OG ALA 121.A O no hydrogen 3.471 N/A SER 143.A N LEU 140.A O no hydrogen 2.818 N/A TRP 145.A N SER 143.A OG no hydrogen 2.761 N/A ARG 146.A N VAL 165.A O no hydrogen 2.722 N/A ARG 146.A NE ASP 123.A OD2 no hydrogen 2.694 N/A ARG 146.A NH1 SER 143.A O no hydrogen 2.788 N/A ARG 146.A NH1 TRP 145.A O no hydrogen 2.878 N/A ARG 146.A NH2 ASP 123.A OD2 no hydrogen 3.413 N/A GLU 147.A N LEU 138.A O no hydrogen 3.430 N/A ILE 148.A N LEU 162.A O no hydrogen 2.870 N/A HIS 149.A N TYR 136.A O no hydrogen 2.805 N/A ASP 151.A N GLN 156.A O no hydrogen 3.090 N/A VAL 152.A N ARG 132.A O no hydrogen 2.985 N/A SER 154.A N ASP 151.A OD2 no hydrogen 2.882 N/A SER 154.A OG ASP 151.A OD2 no hydrogen 2.937 N/A LYS 155.A N ASP 151.A O no hydrogen 2.783 N/A LEU 158.A N LEU 150.A O no hydrogen 2.861 N/A LEU 162.A N ILE 148.A O no hydrogen 2.777 N/A LYS 163.A N GLN 201.A OE1 no hydrogen 2.916 N/A LYS 163.A NZ GLU 147.A OE1 no hydrogen 3.492 N/A VAL 165.A N ARG 146.A O no hydrogen 3.114 N/A SER 168.A OG GLY 169.A O no hydrogen 2.656 N/A SER 168.A OG SER 181.A O no hydrogen 3.502 N/A SER 171.A N PHE 179.A O no hydrogen 3.080 N/A TRP 172.A NE1 SER 126.A O no hydrogen 2.817 N/A LEU 173.A N GLY 177.A O no hydrogen 2.844 N/A GLY 174.A N ASP 227.A OD1 no hydrogen 2.824 N/A GLU 176.A N LEU 173.A O no hydrogen 3.079 N/A PHE 178.A N HIS 195.A O no hydrogen 3.046 N/A PHE 179.A N SER 171.A O no hydrogen 2.748 N/A TYR 180.A N TYR 193.A O no hydrogen 3.008 N/A TYR 180.A OH ASP 204.A OD2 no hydrogen 2.639 N/A SER 181.A N SER 168.A OG no hydrogen 2.745 N/A SER 181.A OG VAL 219.A O no hydrogen 2.727 N/A SER 182.A N LYS 191.A O no hydrogen 2.894 N/A SER 182.A OG ASP 164.A O no hydrogen 2.889 N/A TYR 183.A OH ARG 217.A O no hydrogen 2.560 N/A HIS 190.A N HIS 216.A O no hydrogen 2.914 N/A HIS 190.A NE2 LYS 166.A O no hydrogen 2.857 N/A LYS 191.A N SER 182.A O no hydrogen 2.842 N/A LYS 191.A NZ TYR 183.A O no hydrogen 3.198 N/A LYS 191.A NZ GLN 189.A O no hydrogen 2.843 N/A VAL 192.A N PHE 208.A O no hydrogen 2.903 N/A TYR 193.A N TYR 180.A O no hydrogen 2.882 N/A TYR 193.A OH ASP 184.A O no hydrogen 2.441 N/A PHE 194.A N ARG 205.A O no hydrogen 3.036 N/A HIS 195.A N PHE 178.A O no hydrogen 2.840 N/A HIS 195.A ND1 ASP 204.A OD1 no hydrogen 2.751 N/A HIS 195.A NE2 GLU 159.A OE1 no hydrogen 2.723 N/A ARG 196.A NH1 GLU 176.A OE1 no hydrogen 3.065 N/A LEU 197.A N GLU 176.A O no hydrogen 2.833 N/A GLY 198.A N GLU 159.A OE2 no hydrogen 2.494 N/A THR 199.A N ARG 196.A O no hydrogen 3.279 N/A THR 199.A OG1 ARG 196.A O no hydrogen 2.586 N/A GLN 201.A NE2 LYS 163.A O no hydrogen 3.231 N/A ASP 203.A N ALA 200.A O no hydrogen 2.860 N/A ASP 204.A N GLN 201.A O no hydrogen 2.772 N/A ARG 205.A N PHE 194.A O no hydrogen 3.330 N/A VAL 207.A N VAL 192.A O no hydrogen 2.764 N/A PHE 208.A N VAL 192.A O no hydrogen 3.414 N/A GLY 209.A N GLN 214.A OE1 no hydrogen 2.917 N/A GLN 214.A N ILE 211.A O no hydrogen 2.682 N/A HIS 215.A N PRO 212.A O no hydrogen 3.172 N/A HIS 215.A NE2 ALA 210.A O no hydrogen 2.661 N/A HIS 216.A ND1 GLN 214.A O no hydrogen 2.565 N/A TYR 218.A N ALA 235.A O no hydrogen 2.750 N/A VAL 219.A N HIS 190.A ND1 no hydrogen 3.004 N/A GLY 220.A N SER 233.A O no hydrogen 2.859 N/A THR 222.A N LEU 231.A O no hydrogen 2.877 N/A VAL 223.A N SER 171.A OG no hydrogen 2.797 N/A THR 224.A N PHE 229.A O no hydrogen 2.870 N/A THR 224.A OG1 ASP 226.A OD1 no hydrogen 2.635 N/A THR 224.A OG1 ASN 271.A OD1 no hydrogen 3.058 N/A ASP 227.A N THR 224.A O no hydrogen 2.824 N/A ARG 228.A N ASP 226.A OD1 no hydrogen 2.931 N/A ARG 228.A NE ASP 247.A OD1 no hydrogen 3.321 N/A ARG 228.A NE ASP 247.A OD2 no hydrogen 3.436 N/A ARG 228.A NH2 ASP 247.A OD2 no hydrogen 2.910 N/A PHE 229.A N THR 224.A OG1 no hydrogen 3.128 N/A LEU 230.A N LYS 246.A O no hydrogen 2.948 N/A LEU 231.A N THR 222.A O no hydrogen 2.781 N/A ILE 232.A N TYR 244.A O no hydrogen 2.866 N/A SER 233.A N GLY 220.A O no hydrogen 2.884 N/A ALA 234.A N ARG 242.A O no hydrogen 3.043 N/A ALA 235.A N TYR 218.A O no hydrogen 2.643 N/A SER 239.A N SER 237.A OG no hydrogen 3.029 N/A GLY 240.A N ASP 265.A OD1 no hydrogen 2.764 N/A ASN 241.A N ALA 264.A O no hydrogen 3.067 N/A ASN 241.A ND2 ARG 242.A O no hydrogen 2.903 N/A ASN 241.A ND2 VAL 266.A O no hydrogen 3.081 N/A ARG 242.A N ALA 234.A O no hydrogen 2.762 N/A ARG 242.A NE GLY 260.A O no hydrogen 2.876 N/A ARG 242.A NH1 HIS 216.A NE2 no hydrogen 2.948 N/A LEU 243.A N GLN 259.A O no hydrogen 2.985 N/A TYR 244.A N ILE 232.A O no hydrogen 2.864 N/A VAL 245.A N LEU 256.A O no hydrogen 2.925 N/A LYS 246.A N LEU 230.A O no hydrogen 2.897 N/A LEU 248.A N ARG 228.A O no hydrogen 2.657 N/A SER 249.A N ASP 247.A OD1 no hydrogen 2.919 N/A SER 249.A OG ASP 247.A OD1 no hydrogen 2.510 N/A GLN 250.A N ASP 247.A O no hydrogen 3.463 N/A LEU 256.A N VAL 245.A O no hydrogen 2.843 N/A VAL 258.A N LEU 243.A O no hydrogen 2.817 N/A GLN 259.A N LEU 243.A O no hydrogen 3.155 N/A ASP 263.A N ASP 261.A OD1 no hydrogen 2.666 N/A ASP 265.A N ASN 281.A OD1 no hydrogen 2.847 N/A VAL 266.A N ASN 241.A OD1 no hydrogen 3.053 N/A SER 267.A N LEU 279.A O no hydrogen 2.796 N/A VAL 269.A N TYR 277.A O no hydrogen 2.818 N/A ASP 270.A N TYR 277.A O no hydrogen 3.502 N/A ASN 271.A ND2 ASP 226.A OD2 no hydrogen 2.783 N/A ASN 271.A ND2 GLY 273.A O no hydrogen 3.044 N/A LYS 272.A N THR 275.A O no hydrogen 2.943 N/A SER 274.A OG ASP 293.A OD1 no hydrogen 2.695 N/A THR 275.A N LYS 272.A O no hydrogen 2.978 N/A LEU 276.A N VAL 292.A O no hydrogen 2.862 N/A TYR 277.A N ASP 270.A O no hydrogen 2.715 N/A TYR 277.A OH TYR 338.A O no hydrogen 2.460 N/A LEU 278.A N VAL 290.A O no hydrogen 2.841 N/A LEU 279.A N SER 267.A O no hydrogen 2.800 N/A THR 280.A N ARG 288.A O no hydrogen 3.045 N/A THR 280.A OG1 ASP 265.A O no hydrogen 2.696 N/A ASN 281.A N ASP 265.A O no hydrogen 3.135 N/A ARG 282.A N THR 280.A OG1 no hydrogen 2.996 N/A ARG 282.A NH1 ASP 261.A OD1 no hydrogen 3.363 N/A ARG 282.A NH1 ASP 261.A OD2 no hydrogen 3.318 N/A ARG 282.A NH2 ASP 261.A OD2 no hydrogen 3.099 N/A ALA 284.A N ASN 281.A O no hydrogen 3.133 N/A ASN 286.A N GLU 308.A OE1 no hydrogen 2.784 N/A ASN 286.A ND2 ARG 309.A O no hydrogen 2.703 N/A ARG 287.A N ALA 284.A O no hydrogen 2.694 N/A ARG 287.A NE LEU 313.A O no hydrogen 2.807 N/A ARG 287.A NH2 LEU 313.A O no hydrogen 2.744 N/A ARG 288.A N THR 280.A O no hydrogen 2.934 N/A ARG 288.A NE ARG 282.A O no hydrogen 3.139 N/A ARG 288.A NH1 ASP 304.A OD1 no hydrogen 2.834 N/A ARG 288.A NH2 ARG 282.A O no hydrogen 2.607 N/A LEU 289.A N ILE 306.A O no hydrogen 3.043 N/A VAL 290.A N LEU 278.A O no hydrogen 2.825 N/A THR 291.A N ARG 303.A O no hydrogen 2.870 N/A THR 291.A OG1 ARG 303.A O no hydrogen 3.524 N/A VAL 292.A N LEU 276.A O no hydrogen 3.201 N/A ALA 294.A N SER 274.A O no hydrogen 2.866 N/A ALA 295.A N ASP 293.A OD2 no hydrogen 2.829 N/A ASN 296.A N ASP 293.A O no hydrogen 3.093 N/A HIS 301.A N GLY 298.A O no hydrogen 2.843 N/A TRP 302.A N PRO 299.A O no hydrogen 3.026 N/A TRP 302.A NE1 PRO 297.A O no hydrogen 2.654 N/A ARG 303.A N THR 291.A O no hydrogen 2.894 N/A ARG 303.A NH1 ALA 300.A O no hydrogen 3.014 N/A ARG 303.A NH1 TRP 302.A O no hydrogen 2.751 N/A LEU 305.A N LEU 289.A O no hydrogen 2.809 N/A ILE 306.A N LEU 289.A O no hydrogen 3.008 N/A ARG 309.A NH2 GLU 334.A OE1 no hydrogen 3.473 N/A LEU 313.A N ASN 286.A O no hydrogen 2.859 N/A THR 314.A N GLU 325.A O no hydrogen 3.211 N/A HIS 316.A N PHE 323.A O no hydrogen 2.821 N/A HIS 316.A NE2 GLU 325.A OE1 no hydrogen 2.999 N/A GLY 318.A N TYR 321.A O no hydrogen 3.132 N/A SER 319.A N LYS 360.A O no hydrogen 2.719 N/A SER 319.A OG ASP 363.A O no hydrogen 2.585 N/A TYR 321.A N GLY 318.A O no hydrogen 2.926 N/A LEU 322.A N PHE 336.A O no hydrogen 2.732 N/A PHE 323.A N HIS 316.A O no hydrogen 2.642 N/A ALA 324.A N GLU 334.A O no hydrogen 2.870 N/A GLU 325.A N THR 314.A O no hydrogen 2.782 N/A TYR 326.A N ARG 332.A O no hydrogen 2.851 N/A THR 330.A N VAL 327.A O no hydrogen 2.936 N/A THR 330.A OG1 VAL 327.A O no hydrogen 2.899 N/A ALA 331.A N GLY 352.A O no hydrogen 2.806 N/A ARG 332.A N TYR 326.A O no hydrogen 2.968 N/A ARG 332.A NH1 VAL 327.A O no hydrogen 3.530 N/A ARG 332.A NH1 THR 330.A OG1 no hydrogen 2.858 N/A ARG 332.A NH1 ALA 331.A O no hydrogen 3.047 N/A GLU 334.A N ALA 324.A O no hydrogen 2.876 N/A GLN 335.A N ARG 344.A O no hydrogen 2.862 N/A GLN 335.A NE2 PRO 384.A O no hydrogen 2.915 N/A PHE 336.A N LEU 322.A O no hydrogen 2.791 N/A ASP 337.A N LYS 341.A O no hydrogen 3.114 N/A TYR 338.A OH ASP 270.A OD2 no hydrogen 2.608 N/A GLU 339.A N ASP 337.A OD1 no hydrogen 2.635 N/A GLY 340.A N ASP 337.A O no hydrogen 3.320 N/A LYS 341.A N ASP 337.A OD1 no hydrogen 3.100 N/A ARG 342.A NE GLU 334.A OE1 no hydrogen 2.541 N/A VAL 343.A N GLN 335.A O no hydrogen 2.888 N/A ARG 344.A NH1 GLN 335.A OE1 no hydrogen 2.605 N/A ARG 344.A NH1 PRO 384.A O no hydrogen 3.012 N/A ARG 344.A NH1 LYS 385.A O no hydrogen 3.495 N/A ARG 344.A NH2 LYS 385.A O no hydrogen 2.499 N/A VAL 346.A N VAL 333.A O no hydrogen 2.633 N/A LEU 348.A N VAL 346.A O no hydrogen 3.044 N/A SER 353.A N GLU 371.A O no hydrogen 2.811 N/A SER 353.A OG PRO 451.A O no hydrogen 2.601 N/A SER 355.A N GLY 369.A O no hydrogen 3.046 N/A PHE 357.A N TYR 367.A O no hydrogen 2.917 N/A ASN 358.A ND2 HIS 316.A ND1 no hydrogen 3.021 N/A GLY 359.A N SER 317.A O no hydrogen 2.975 N/A LYS 360.A N ASP 363.A OD2 no hydrogen 2.700 N/A LYS 360.A NZ ARG 77.A O no hydrogen 3.348 N/A LYS 360.A NZ GLU 78.A OE1 no hydrogen 3.349 N/A HIS 361.A N GLU 225.A OE2 no hydrogen 2.689 N/A HIS 361.A NE2 ASP 270.A OD2 no hydrogen 2.702 N/A ASP 363.A N LYS 360.A O no hydrogen 3.332 N/A LEU 366.A N PHE 382.A O no hydrogen 3.012 N/A PHE 368.A N TYR 380.A O no hydrogen 3.143 N/A GLY 369.A N SER 355.A O no hydrogen 2.655 N/A PHE 370.A N THR 378.A O no hydrogen 3.065 N/A GLU 371.A N SER 353.A O no hydrogen 3.078 N/A ASN 372.A N GLN 375.A O no hydrogen 3.097 N/A GLN 375.A N ASN 372.A O no hydrogen 3.371 N/A THR 378.A N PHE 370.A O no hydrogen 3.051 N/A THR 378.A OG1 GLN 375.A OE1 no hydrogen 2.573 N/A THR 378.A OG1 PRO 376.A O no hydrogen 2.833 N/A LEU 379.A N ARG 393.A O no hydrogen 3.067 N/A TYR 380.A N PHE 368.A O no hydrogen 2.952 N/A ARG 381.A N SER 390.A O no hydrogen 2.756 N/A ARG 381.A NE GLU 383.A OE2 no hydrogen 2.616 N/A PHE 382.A N LEU 366.A O no hydrogen 2.698 N/A GLU 383.A N ALA 388.A O no hydrogen 2.792 N/A GLY 387.A N GLU 383.A O no hydrogen 2.637 N/A ALA 388.A N SER 386.A OG no hydrogen 3.208 N/A SER 390.A N ARG 381.A O no hydrogen 2.950 N/A TYR 392.A N LEU 379.A O no hydrogen 2.818 N/A ARG 393.A N LEU 379.A O no hydrogen 3.080 N/A ARG 393.A NE GLU 72.A OE1 no hydrogen 3.080 N/A ARG 393.A NH1 TYR 392.A O no hydrogen 2.841 N/A ALA 397.A N SER 395.A OG no hydrogen 3.069 N/A PHE 399.A N ALA 397.A O no hydrogen 2.763 N/A GLU 402.A N GLU 402.A OE2 no hydrogen 2.568 N/A ASP 403.A N LYS 400.A O no hydrogen 2.874 N/A TYR 404.A N PRO 401.A O no hydrogen 3.092 N/A TYR 404.A OH ASP 462.A OD1 no hydrogen 2.505 N/A TYR 404.A OH ASP 462.A OD2 no hydrogen 3.040 N/A VAL 405.A N TYR 425.A O no hydrogen 2.888 N/A SER 406.A OG SER 424.A OG no hydrogen 2.675 N/A GLU 407.A N ILE 423.A O no hydrogen 2.774 N/A GLN 408.A NE2 ASP 328.A O no hydrogen 3.523 N/A ARG 409.A N LEU 421.A O no hydrogen 2.776 N/A ARG 409.A NH1 TYR 504.A OH no hydrogen 2.792 N/A ARG 409.A NH1 GLU 508.A OE1 no hydrogen 3.408 N/A TYR 411.A N VAL 419.A O no hydrogen 2.959 N/A TYR 411.A OH ASP 497.A O no hydrogen 2.469 N/A SER 413.A N THR 417.A O no hydrogen 2.903 N/A SER 413.A OG ASP 415.A OD1 no hydrogen 3.420 N/A SER 413.A OG THR 417.A O no hydrogen 3.161 N/A SER 413.A OG ASP 497.A OD1 no hydrogen 3.300 N/A GLY 416.A N SER 413.A O no hydrogen 3.237 N/A THR 417.A OG1 ASP 415.A OD2 no hydrogen 2.552 N/A VAL 419.A N TYR 411.A O no hydrogen 2.863 N/A ILE 422.A N VAL 469.A O no hydrogen 2.906 N/A ILE 423.A N GLU 407.A O no hydrogen 2.866 N/A SER 424.A N TYR 467.A O no hydrogen 2.815 N/A SER 424.A OG SER 406.A OG no hydrogen 2.675 N/A TYR 425.A N VAL 405.A O no hydrogen 2.983 N/A TYR 425.A OH GLU 407.A OE2 no hydrogen 2.581 N/A ARG 426.A NE ASP 462.A OD1 no hydrogen 3.367 N/A LYS 427.A N ASP 403.A O no hydrogen 2.469 N/A GLY 433.A N GLY 509.A O no hydrogen 2.782 N/A SER 434.A N ASP 432.A OD1 no hydrogen 2.548 N/A SER 434.A OG ASP 432.A OD1 no hydrogen 2.324 N/A ASN 435.A ND2 LYS 430.A O no hydrogen 2.828 N/A ASN 435.A ND2 TYR 510.A O no hydrogen 2.843 N/A THR 437.A N ARG 515.A O no hydrogen 2.631 N/A THR 437.A OG1 ASN 435.A O no hydrogen 3.125 N/A ILE 438.A N VAL 466.A O no hydrogen 2.849 N/A LEU 439.A N ALA 517.A O no hydrogen 2.730 N/A TYR 440.A N ALA 468.A O no hydrogen 2.596 N/A GLY 441.A N ARG 519.A O no hydrogen 3.428 N/A PHE 445.A N ASP 563.A OD1 no hydrogen 3.434 N/A ASP 446.A N GLY 474.A O no hydrogen 3.019 N/A VAL 447.A N GLY 444.A O no hydrogen 3.002 N/A LEU 449.A N GLU 477.A OE2 no hydrogen 3.087 N/A PHE 453.A N GLU 371.A OE1 no hydrogen 2.830 N/A SER 456.A OG SER 641.A OG no hydrogen 3.299 N/A SER 456.A OG TYR 645.A OH no hydrogen 2.682 N/A VAL 457.A N SER 454.A OG no hydrogen 3.206 N/A ALA 458.A N SER 454.A O no hydrogen 2.965 N/A ASN 459.A N VAL 455.A O no hydrogen 2.913 N/A ASN 459.A ND2 SER 66.A OG no hydrogen 3.199 N/A ASN 459.A ND2 VAL 455.A O no hydrogen 2.784 N/A TRP 460.A N SER 456.A O no hydrogen 3.084 N/A TRP 460.A NE1 VAL 466.A O no hydrogen 3.045 N/A LEU 461.A N VAL 457.A O no hydrogen 3.022 N/A ASP 462.A N ALA 458.A O no hydrogen 3.029 N/A LEU 463.A N TRP 460.A O no hydrogen 3.040 N/A GLY 464.A N LEU 461.A O no hydrogen 2.823 N/A GLY 465.A N TRP 460.A O no hydrogen 2.996 N/A VAL 466.A N PRO 436.A O no hydrogen 2.819 N/A TYR 467.A N SER 424.A O no hydrogen 2.898 N/A ALA 468.A N ILE 438.A O no hydrogen 2.845 N/A VAL 469.A N ILE 422.A O no hydrogen 2.854 N/A ALA 470.A N TYR 440.A O no hydrogen 2.989 N/A ASN 471.A N PRO 420.A O no hydrogen 3.250 N/A ARG 473.A NE ASP 497.A OD2 no hydrogen 3.134 N/A ARG 473.A NH1 ASP 415.A OD2 no hydrogen 3.346 N/A ARG 473.A NH2 ASP 415.A OD1 no hydrogen 2.912 N/A GLY 474.A N TRP 482.A O no hydrogen 2.729 N/A GLU 477.A N GLU 477.A OE1 no hydrogen 2.789 N/A TYR 478.A OH ASP 328.A OD1 no hydrogen 2.298 N/A TRP 482.A N GLY 479.A O no hydrogen 2.754 N/A TRP 482.A NE1 LEU 472.A O no hydrogen 2.841 N/A HIS 483.A N GLN 480.A O no hydrogen 2.984 N/A HIS 483.A NE2 ASP 563.A OD1 no hydrogen 2.554 N/A LEU 484.A N GLN 480.A O no hydrogen 3.332 N/A ALA 485.A N ALA 481.A O no hydrogen 3.002 N/A GLY 486.A N HIS 483.A O no hydrogen 3.378 N/A THR 487.A N LEU 484.A O no hydrogen 2.963 N/A THR 487.A OG1 LEU 484.A O no hydrogen 2.807 N/A GLN 488.A N ASP 563.A O no hydrogen 2.849 N/A GLN 488.A NE2 TYR 562.A O no hydrogen 2.825 N/A ASN 490.A N THR 487.A O no hydrogen 2.861 N/A ASN 490.A ND2 THR 487.A O no hydrogen 3.230 N/A LYS 491.A NZ GLY 443.A O no hydrogen 3.212 N/A GLN 492.A N TYR 575.A OH no hydrogen 3.011 N/A GLN 492.A NE2 ASP 496.A OD1 no hydrogen 2.803 N/A ASN 493.A N ASN 490.A O no hydrogen 2.814 N/A ASN 493.A ND2 ASN 490.A O no hydrogen 2.922 N/A VAL 494.A N LYS 491.A O no hydrogen 3.010 N/A ASP 496.A N GLN 492.A O no hydrogen 3.084 N/A ASP 497.A N ASN 493.A O no hydrogen 3.059 N/A PHE 498.A N VAL 494.A O no hydrogen 3.088 N/A ILE 499.A N PHE 495.A O no hydrogen 2.768 N/A ALA 500.A N ASP 496.A O no hydrogen 2.934 N/A ALA 501.A N ASP 497.A O no hydrogen 3.106 N/A ALA 502.A N PHE 498.A O no hydrogen 3.113 N/A GLU 503.A N ILE 499.A O no hydrogen 3.061 N/A TYR 504.A N ALA 500.A O no hydrogen 2.780 N/A LEU 505.A N ALA 501.A O no hydrogen 3.016 N/A LYS 506.A N ALA 502.A O no hydrogen 3.265 N/A LYS 506.A N GLU 503.A O no hydrogen 3.099 N/A LYS 506.A NZ THR 513.A OG1 no hydrogen 3.114 N/A LYS 506.A NZ LEU 537.A O no hydrogen 2.510 N/A ALA 507.A N GLU 503.A O no hydrogen 3.058 N/A GLU 508.A N TYR 504.A O no hydrogen 3.006 N/A GLY 509.A N LYS 506.A O no hydrogen 2.497 N/A TYR 510.A N LEU 505.A O no hydrogen 2.986 N/A TYR 510.A OH GLU 407.A OE2 no hydrogen 2.510 N/A THR 511.A N LEU 505.A O no hydrogen 3.387 N/A THR 511.A OG1 ASN 435.A O no hydrogen 2.613 N/A THR 511.A OG1 ARG 512.A O no hydrogen 3.301 N/A THR 511.A OG1 ARG 515.A O no hydrogen 2.669 N/A ARG 512.A NE ASP 514.A OD1 no hydrogen 2.571 N/A ARG 512.A NE ASP 514.A OD2 no hydrogen 3.139 N/A ARG 515.A N ARG 512.A O no hydrogen 2.688 N/A ARG 515.A NH1 SER 434.A O no hydrogen 2.677 N/A LEU 516.A N THR 513.A O no hydrogen 3.240 N/A ALA 517.A N THR 437.A O no hydrogen 2.763 N/A ILE 518.A N VAL 539.A O no hydrogen 2.885 N/A ARG 519.A N LEU 439.A O no hydrogen 2.817 N/A GLY 520.A N LEU 541.A O no hydrogen 3.318 N/A SER 522.A N ALA 543.A O no hydrogen 2.828 N/A SER 522.A OG VAL 544.A O no hydrogen 3.263 N/A GLY 524.A N GLY 521.A O no hydrogen 2.683 N/A LEU 526.A N SER 522.A O no hydrogen 2.888 N/A LEU 527.A N ASN 523.A O no hydrogen 3.154 N/A VAL 528.A N GLY 524.A O no hydrogen 3.090 N/A GLY 529.A N GLY 525.A O no hydrogen 3.148 N/A ALA 530.A N LEU 526.A O no hydrogen 2.847 N/A VAL 531.A N LEU 527.A O no hydrogen 3.082 N/A THR 532.A OG1 GLY 529.A O no hydrogen 3.525 N/A THR 532.A OG1 ALA 530.A O no hydrogen 2.597 N/A GLN 533.A N ALA 530.A O no hydrogen 2.977 N/A ARG 534.A N VAL 531.A O no hydrogen 3.102 N/A ARG 534.A NE ASP 536.A OD1 no hydrogen 3.066 N/A ARG 534.A NE ASP 536.A OD2 no hydrogen 3.498 N/A LEU 537.A N ARG 534.A O no hydrogen 2.911 N/A ARG 538.A N LEU 516.A O no hydrogen 2.708 N/A ARG 538.A NH1 ARG 538.A O no hydrogen 2.666 N/A ARG 538.A NH1 SER 593.A OG no hydrogen 2.866 N/A VAL 539.A N LEU 516.A O no hydrogen 3.192 N/A ALA 540.A N SER 593.A O no hydrogen 2.742 N/A LEU 541.A N ILE 518.A O no hydrogen 2.875 N/A ALA 543.A N GLY 520.A O no hydrogen 2.836 N/A VAL 544.A N THR 596.A O no hydrogen 2.860 N/A ASP 548.A N HIS 608.A ND1 no hydrogen 3.267 N/A ARG 550.A NH1 TYR 15.A OH no hydrogen 3.425 N/A ARG 550.A NH2 GLU 28.A OE1 no hydrogen 2.865 N/A ARG 550.A NH2 GLU 28.A OE2 no hydrogen 3.476 N/A TYR 551.A OH GLY 565.A O no hydrogen 2.629 N/A THR 553.A OG1 ARG 550.A O no hydrogen 2.638 N/A PHE 554.A N TYR 551.A O no hydrogen 3.027 N/A THR 558.A N THR 555.A O no hydrogen 2.966 N/A TYR 564.A N TRP 560.A O no hydrogen 3.169 N/A GLY 565.A N ALA 561.A O no hydrogen 3.101 N/A THR 566.A N ASP 569.A OD2 no hydrogen 2.931 N/A THR 566.A OG1 ASP 569.A OD1 no hydrogen 3.383 N/A THR 566.A OG1 ASP 569.A OD2 no hydrogen 3.319 N/A SER 567.A OG LEU 549.A O no hydrogen 2.808 N/A ALA 568.A N THR 566.A OG1 no hydrogen 2.858 N/A ASP 574.A N GLU 571.A O no hydrogen 2.729 N/A TYR 575.A N ALA 572.A O no hydrogen 2.943 N/A LYS 577.A N PHE 573.A O no hydrogen 2.961 N/A GLY 578.A N ASP 574.A O no hydrogen 2.994 N/A TYR 579.A N LEU 576.A O no hydrogen 2.935 N/A SER 580.A N LEU 576.A O no hydrogen 2.739 N/A SER 580.A OG LEU 547.A O no hydrogen 3.543 N/A LEU 582.A N LEU 547.A O no hydrogen 3.108 N/A HIS 583.A NE2 ASP 548.A OD2 no hydrogen 3.023 N/A ASN 584.A ND2 GLY 578.A O no hydrogen 2.857 N/A ASN 584.A ND2 SER 580.A O no hydrogen 3.485 N/A ARG 586.A N TYR 591.A OH no hydrogen 3.151 N/A TYR 591.A N ASN 620.A OD1 no hydrogen 2.680 N/A SER 593.A N ARG 538.A O no hydrogen 3.091 N/A SER 593.A OG GLU 651.A OE1 no hydrogen 2.663 N/A THR 594.A N PRO 625.A O no hydrogen 2.905 N/A THR 594.A OG1 PRO 592.A O no hydrogen 3.051 N/A THR 594.A OG1 GLN 626.A OE1 no hydrogen 3.120 N/A THR 596.A N PRO 542.A O no hydrogen 3.096 N/A THR 597.A N ARG 629.A O no hydrogen 2.997 N/A THR 597.A OG1 ALA 598.A O no hydrogen 2.873 N/A ASP 599.A N GLU 631.A O no hydrogen 2.767 N/A HIS 600.A N ASP 599.A OD1 no hydrogen 2.446 N/A HIS 600.A ND1 ASP 30.A OD2 no hydrogen 2.669 N/A ARG 603.A NH1 SER 522.A OG no hydrogen 2.861 N/A ARG 603.A NH2 SER 522.A OG no hydrogen 3.117 N/A VAL 604.A N ASP 601.A OD1 no hydrogen 2.951 N/A HIS 608.A N VAL 605.A O no hydrogen 3.325 N/A SER 609.A N PRO 606.A O no hydrogen 2.747 N/A PHE 610.A N PRO 606.A O no hydrogen 2.743 N/A LYS 611.A N ALA 607.A O no hydrogen 2.886 N/A LYS 611.A NZ ASP 22.A OD1 no hydrogen 2.774 N/A LYS 611.A NZ ASP 548.A OD1 no hydrogen 2.733 N/A ALA 613.A N SER 609.A O no hydrogen 2.876 N/A ALA 614.A N PHE 610.A O no hydrogen 3.079 N/A THR 615.A N LYS 611.A O no hydrogen 2.998 N/A THR 615.A OG1 LYS 611.A O no hydrogen 2.951 N/A LEU 616.A N PHE 612.A O no hydrogen 3.104 N/A GLN 617.A N ALA 613.A O no hydrogen 2.929 N/A GLN 617.A NE2 GLN 42.A OE1 no hydrogen 3.595 N/A ALA 618.A N ALA 614.A O no hydrogen 2.750 N/A ASN 620.A N LEU 616.A O no hydrogen 2.829 N/A ALA 621.A N VAL 589.A O no hydrogen 2.913 N/A GLN 626.A N TYR 3.A OH no hydrogen 2.762 N/A GLN 626.A NE2 PRO 592.A O no hydrogen 3.160 N/A GLN 626.A NE2 HIS 624.A O no hydrogen 2.900 N/A LEU 627.A N THR 594.A O no hydrogen 2.676 N/A ARG 629.A N VAL 595.A O no hydrogen 2.640 N/A ARG 629.A NE ASP 643.A OD2 no hydrogen 2.758 N/A ARG 629.A NH1 GLU 631.A OE1 no hydrogen 3.091 N/A GLU 631.A N THR 597.A O no hydrogen 2.684 N/A LYS 636.A N PRO 633.A O no hydrogen 2.890 N/A LYS 636.A NZ GLU 631.A OE2 no hydrogen 3.526 N/A LEU 637.A N PRO 633.A O no hydrogen 3.272 N/A ILE 638.A N VAL 634.A O no hydrogen 2.610 N/A GLU 639.A N ALA 635.A O no hydrogen 2.913 N/A GLN 640.A N LYS 636.A O no hydrogen 2.961 N/A SER 641.A N LEU 637.A O no hydrogen 2.974 N/A SER 641.A OG SER 456.A OG no hydrogen 3.299 N/A SER 641.A OG LEU 637.A O no hydrogen 3.294 N/A ALA 642.A N ILE 638.A O no hydrogen 2.919 N/A ASP 643.A N GLU 639.A O no hydrogen 3.035 N/A ILE 644.A N GLN 640.A O no hydrogen 3.102 N/A TYR 645.A N SER 641.A O no hydrogen 3.053 N/A TYR 645.A OH SER 456.A OG no hydrogen 2.682 N/A ALA 646.A N ALA 642.A O no hydrogen 3.088 N/A PHE 647.A N ASP 643.A O no hydrogen 2.975 N/A THR 648.A N ILE 644.A O no hydrogen 3.031 N/A THR 648.A OG1 ILE 644.A O no hydrogen 2.580 N/A LEU 649.A N TYR 645.A O no hydrogen 3.051 N/A TYR 650.A N ALA 646.A O no hydrogen 2.862 N/A TYR 650.A OH GLN 52.A OE1 no hydrogen 2.726 N/A GLU 651.A N PHE 647.A O no hydrogen 2.928 N/A TYR 653.A N LEU 649.A O no hydrogen 3.198 N/A ARG 658.A NH1 ASP 462.A O no hydrogen 2.936 N/A