Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7kgz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE ASP 240.A OD1 no hydrogen 2.786 N/A ARG 2.A NH2 PHE 148.A O no hydrogen 3.517 N/A ARG 2.A NH2 ASP 240.A OD1 no hydrogen 3.347 N/A ARG 2.A NH2 ASP 240.A OD2 no hydrogen 2.805 N/A ASN 3.A N THR 142.A O no hydrogen 2.991 N/A ILE 5.A N LEU 140.A O no hydrogen 2.902 N/A LEU 7.A N VAL 138.A O no hydrogen 2.783 N/A TRP 11.A NE1 LEU 7.A O no hydrogen 2.699 N/A THR 12.A N VAL 51.A O no hydrogen 2.779 N/A PHE 13.A N GLU 23.A O no hydrogen 2.738 N/A TYR 14.A N LYS 49.A O no hydrogen 2.690 N/A GLN 18.A N ASN 16.A OD1 no hydrogen 2.614 N/A SER 19.A N ASN 16.A O no hydrogen 2.960 N/A GLU 23.A N PHE 13.A O no hydrogen 2.887 N/A VAL 25.A N TRP 11.A O no hydrogen 3.140 N/A LEU 27.A N GLU 8.A O no hydrogen 2.953 N/A HIS 29.A N LEU 134.A O no hydrogen 2.874 N/A HIS 29.A ND1 TYR 50.A OH no hydrogen 2.536 N/A THR 30.A OG1 GLY 132.A O no hydrogen 2.656 N/A TRP 31.A N GLY 132.A O no hydrogen 3.271 N/A TRP 31.A NE1 TYR 44.A O no hydrogen 3.033 N/A ASN 32.A N THR 30.A OG1 no hydrogen 3.137 N/A ASN 32.A ND2 ASP 35.A OD1 no hydrogen 2.874 N/A ASN 32.A ND2 TYR 44.A O no hydrogen 3.158 N/A GLY 36.A N ASN 32.A O no hydrogen 2.996 N/A GLN 37.A N VAL 34.A O no hydrogen 3.208 N/A GLN 37.A NE2 TYR 131.A OH no hydrogen 3.026 N/A GLN 37.A NE2 ARG 277.A O no hydrogen 2.912 N/A GLY 39.A N ASP 512.A OD1 no hydrogen 3.006 N/A GLY 40.A N ASP 515.A OD1 no hydrogen 3.376 N/A ASN 41.A N ASP 512.A O no hydrogen 2.836 N/A ASP 42.A N ASP 512.A OD2 no hydrogen 2.914 N/A TYR 43.A N ASP 512.A OD2 no hydrogen 3.159 N/A TYR 44.A N ASP 35.A OD2 no hydrogen 2.967 N/A ARG 45.A NE ASN 115.A O no hydrogen 2.894 N/A ARG 45.A NH2 ASN 115.A O no hydrogen 3.218 N/A ARG 45.A NH2 GLN 124.A OE1 no hydrogen 2.969 N/A GLY 46.A N ASN 115.A OD1 no hydrogen 3.055 N/A THR 47.A OG1 ASP 114.A OD1 no hydrogen 2.638 N/A CYS 48.A N VAL 113.A O no hydrogen 2.808 N/A CYS 48.A SG LYS 15.A O no hydrogen 3.428 N/A LYS 49.A N TYR 14.A O no hydrogen 3.081 N/A LYS 49.A NZ PRO 17.A O no hydrogen 3.504 N/A TYR 50.A N VAL 111.A O no hydrogen 2.863 N/A TYR 50.A OH HIS 29.A ND1 no hydrogen 2.536 N/A VAL 51.A N THR 12.A O no hydrogen 2.859 N/A ARG 52.A N LEU 109.A O no hydrogen 2.986 N/A ARG 52.A NE LYS 9.A O no hydrogen 3.126 N/A ARG 52.A NH1 HIS 53.A O no hydrogen 2.648 N/A PHE 54.A N ASN 107.A O no hydrogen 2.937 N/A LYS 56.A N GLU 105.A O no hydrogen 3.000 N/A GLY 63.A N GLU 60.A O no hydrogen 2.873 N/A ARG 64.A N VAL 143.A O no hydrogen 2.990 N/A ARG 64.A NE ASP 98.A OD2 no hydrogen 3.115 N/A ARG 64.A NH2 ASP 98.A OD1 no hydrogen 3.387 N/A ARG 64.A NH2 ASP 98.A OD2 no hydrogen 2.848 N/A ALA 65.A N THR 100.A OG1 no hydrogen 2.917 N/A TYR 66.A N VAL 141.A O no hydrogen 2.639 N/A LEU 67.A N VAL 97.A O no hydrogen 2.874 N/A GLU 68.A N LYS 139.A O no hydrogen 2.715 N/A PHE 69.A N PHE 95.A O no hydrogen 2.842 N/A ASN 70.A N MET 137.A O no hydrogen 3.175 N/A ALA 73.A N GLY 133.A O no hydrogen 2.971 N/A MET 74.A N ASP 114.A O no hydrogen 2.819 N/A THR 75.A N ASP 114.A O no hydrogen 2.907 N/A ALA 76.A N HIS 88.A O no hydrogen 2.911 N/A ASP 77.A N TYR 112.A O no hydrogen 2.827 N/A VAL 78.A N PHE 86.A O no hydrogen 2.990 N/A VAL 79.A N GLU 110.A O no hydrogen 2.827 N/A VAL 80.A N THR 83.A O no hydrogen 2.923 N/A ASN 81.A N LEU 108.A O no hydrogen 2.874 N/A ASN 81.A ND2 GLN 102.A O no hydrogen 2.500 N/A ASN 81.A ND2 ASN 107.A OD1 no hydrogen 2.962 N/A THR 83.A N VAL 80.A O no hydrogen 2.972 N/A LYS 84.A NZ ASP 77.A OD2 no hydrogen 2.991 N/A LYS 84.A NZ PHE 86.A O no hydrogen 3.303 N/A LEU 85.A N VAL 78.A O no hydrogen 2.797 N/A HIS 87.A ND1 ASP 77.A OD2 no hydrogen 2.687 N/A HIS 87.A NE2 GLU 89.A OE2 no hydrogen 2.762 N/A HIS 88.A N ALA 76.A O no hydrogen 2.878 N/A HIS 88.A NE2 GLU 350.A OE2 no hydrogen 2.674 N/A GLY 90.A N MET 74.A O no hydrogen 2.915 N/A SER 93.A OG GLU 350.A OE1 no hydrogen 2.660 N/A THR 94.A N GLN 354.A OE1 no hydrogen 2.904 N/A THR 94.A OG1 ASN 70.A OD1 no hydrogen 2.969 N/A PHE 95.A N PHE 69.A O no hydrogen 2.916 N/A ARG 96.A NE GLU 68.A OE1 no hydrogen 2.875 N/A ARG 96.A NH1 MET 150.A O no hydrogen 2.873 N/A ARG 96.A NH1 GLY 155.A O no hydrogen 2.693 N/A ARG 96.A NH2 GLU 68.A OE1 no hydrogen 3.471 N/A ARG 96.A NH2 GLY 154.A O no hydrogen 3.228 N/A ARG 96.A NH2 GLY 155.A O no hydrogen 3.293 N/A VAL 97.A N LEU 67.A O no hydrogen 2.811 N/A VAL 99.A N ALA 65.A O no hydrogen 2.881 N/A THR 100.A N ASP 98.A OD1 no hydrogen 2.913 N/A THR 100.A OG1 ALA 65.A O no hydrogen 3.568 N/A THR 100.A OG1 ASP 98.A OD1 no hydrogen 2.597 N/A GLN 102.A N VAL 99.A O no hydrogen 3.118 N/A LEU 103.A N THR 100.A O no hydrogen 3.144 N/A THR 104.A N ASN 107.A OD1 no hydrogen 2.820 N/A THR 104.A OG1 GLU 105.A OE1 no hydrogen 3.115 N/A GLU 105.A N THR 104.A OG1 no hydrogen 2.518 N/A ASN 107.A N PHE 54.A O no hydrogen 2.898 N/A ASN 107.A ND2 PHE 54.A O no hydrogen 3.106 N/A ASN 107.A ND2 THR 104.A O no hydrogen 2.828 N/A LEU 108.A N ASN 81.A OD1 no hydrogen 2.956 N/A LEU 109.A N ARG 52.A O no hydrogen 2.775 N/A GLU 110.A N VAL 79.A O no hydrogen 2.849 N/A VAL 111.A N TYR 50.A O no hydrogen 2.846 N/A TYR 112.A N ASP 77.A O no hydrogen 2.935 N/A VAL 113.A N CYS 48.A O no hydrogen 2.819 N/A ASP 114.A N THR 75.A O no hydrogen 2.743 N/A ASN 115.A N GLY 46.A O no hydrogen 3.286 N/A ASN 115.A ND2 TYR 44.A O no hydrogen 3.683 N/A ASN 115.A ND2 PHE 130.A O no hydrogen 2.935 N/A SER 116.A N ASP 114.A OD2 no hydrogen 2.905 N/A SER 116.A OG ASP 114.A OD1 no hydrogen 2.976 N/A SER 116.A OG ASP 114.A OD2 no hydrogen 2.445 N/A LYS 120.A N ASN 118.A OD1 no hydrogen 2.844 N/A LYS 120.A NZ GLU 89.A OE1 no hydrogen 3.004 N/A VAL 121.A N ASN 118.A OD1 no hydrogen 2.931 N/A TYR 122.A N ASN 343.A OD1 no hydrogen 2.977 N/A GLN 124.A NE2 SER 116.A O no hydrogen 3.175 N/A GLN 124.A NE2 VAL 121.A O no hydrogen 3.103 N/A THR 129.A N ALA 510.A O no hydrogen 3.116 N/A THR 129.A OG1 GLY 36.A O no hydrogen 2.862 N/A PHE 130.A N TYR 43.A OH no hydrogen 2.959 N/A TYR 131.A OH ASP 276.A OD2 no hydrogen 2.634 N/A GLY 132.A N ASN 32.A OD1 no hydrogen 3.004 N/A GLY 133.A N ALA 73.A O no hydrogen 3.019 N/A LEU 134.A N TYR 50.A OH no hydrogen 3.220 N/A TYR 135.A OH GLY 91.A O no hydrogen 2.726 N/A ARG 136.A NH1 ASN 70.A O no hydrogen 3.313 N/A ARG 136.A NH1 PHE 92.A O no hydrogen 2.882 N/A ARG 136.A NH2 GLN 275.A OE1 no hydrogen 2.669 N/A ARG 136.A NH2 GLN 310.A O no hydrogen 3.000 N/A LYS 139.A N GLU 68.A O no hydrogen 2.803 N/A LEU 140.A N ILE 5.A O no hydrogen 2.773 N/A VAL 141.A N TYR 66.A O no hydrogen 2.728 N/A THR 142.A N ASN 3.A O no hydrogen 2.915 N/A VAL 143.A N ARG 64.A O no hydrogen 2.908 N/A LYS 145.A N GLU 60.A OE2 no hydrogen 2.956 N/A HIS 147.A N THR 185.A O no hydrogen 3.202 N/A HIS 147.A ND1 PRO 144.A O no hydrogen 2.886 N/A PHE 148.A N ASP 240.A OD2 no hydrogen 2.771 N/A VAL 149.A N TRP 183.A O no hydrogen 3.098 N/A GLY 155.A N TYR 152.A O no hydrogen 3.089 N/A ASN 156.A ND2 GLU 243.A O no hydrogen 3.163 N/A MET 158.A N ASN 156.A OD1 no hydrogen 3.204 N/A LYS 159.A N GLU 181.A O no hydrogen 2.832 N/A LYS 159.A NZ GLU 181.A OE2 no hydrogen 3.569 N/A THR 161.A N THR 179.A O no hydrogen 2.758 N/A THR 161.A OG1 TYR 356.A OH no hydrogen 2.676 N/A GLU 163.A N ASP 177.A O no hydrogen 2.749 N/A THR 165.A N ASP 175.A O no hydrogen 2.826 N/A LEU 167.A N GLN 173.A O no hydrogen 2.819 N/A ASP 168.A N GLN 173.A O no hydrogen 3.117 N/A GLU 171.A N ASP 168.A OD1 no hydrogen 3.154 N/A LYS 172.A N ALA 169.A O no hydrogen 3.177 N/A LYS 172.A NZ ASP 222.A OD2 no hydrogen 2.859 N/A GLN 173.A N ASP 168.A O no hydrogen 3.017 N/A GLN 173.A NE2 ASN 217.A OD1 no hydrogen 3.041 N/A ASP 175.A N THR 165.A O no hydrogen 3.052 N/A ALA 176.A N LEU 215.A O no hydrogen 3.073 N/A ASP 177.A N GLU 163.A O no hydrogen 2.967 N/A VAL 178.A N PHE 213.A O no hydrogen 2.805 N/A THR 179.A N THR 161.A O no hydrogen 2.913 N/A VAL 180.A N ALA 211.A O no hydrogen 2.733 N/A GLU 181.A N LYS 159.A O no hydrogen 2.800 N/A LEU 182.A N ALA 209.A O no hydrogen 2.901 N/A TRP 183.A N GLY 157.A O no hydrogen 2.937 N/A MET 184.A N GLY 207.A O no hydrogen 2.820 N/A THR 185.A N HIS 147.A O no hydrogen 2.981 N/A THR 189.A OG1 ASP 190.A OD2 no hydrogen 2.454 N/A VAL 191.A N VAL 202.A O no hydrogen 2.888 N/A THR 192.A N GLU 235.A O no hydrogen 3.178 N/A THR 192.A OG1 THR 201.A OG1 no hydrogen 2.896 N/A VAL 193.A N GLN 200.A O no hydrogen 2.809 N/A ALA 194.A N LYS 233.A O no hydrogen 2.730 N/A VAL 195.A N GLU 198.A O no hydrogen 2.957 N/A GLU 198.A N VAL 195.A O no hydrogen 3.013 N/A GLN 200.A N VAL 193.A O no hydrogen 2.967 N/A THR 201.A OG1 THR 192.A OG1 no hydrogen 2.896 N/A VAL 202.A N VAL 191.A O no hydrogen 2.911 N/A VAL 204.A N THR 189.A O no hydrogen 3.154 N/A GLU 205.A N TYR 208.A O no hydrogen 2.830 N/A TYR 208.A N GLU 205.A O no hydrogen 3.039 N/A TYR 208.A OH GLU 181.A OE1 no hydrogen 2.797 N/A ALA 209.A N LEU 182.A O no hydrogen 2.921 N/A ALA 211.A N VAL 180.A O no hydrogen 2.904 N/A PHE 213.A N VAL 178.A O no hydrogen 2.741 N/A LEU 215.A N ALA 176.A O no hydrogen 2.957 N/A ASN 217.A N ASP 175.A OD1 no hydrogen 2.822 N/A VAL 218.A N ALA 174.A O no hydrogen 2.840 N/A HIS 219.A N TYR 230.A OH no hydrogen 2.979 N/A HIS 219.A NE2 ASP 226.A OD2 no hydrogen 2.853 N/A TRP 221.A N CYS 248.A O no hydrogen 2.774 N/A TRP 221.A NE1 ASP 320.A O no hydrogen 2.992 N/A ASP 222.A N ASP 226.A O no hydrogen 3.012 N/A VAL 224.A N TYR 266.A OH no hydrogen 3.174 N/A ASP 226.A N GLY 223.A O no hydrogen 3.162 N/A TYR 228.A N ASP 226.A O no hydrogen 2.932 N/A TYR 230.A N PHE 246.A O no hydrogen 2.762 N/A ALA 232.A N ARG 244.A O no hydrogen 2.789 N/A LYS 233.A N ALA 194.A O no hydrogen 3.005 N/A ALA 234.A N VAL 242.A O no hydrogen 2.897 N/A GLU 235.A N THR 192.A O no hydrogen 2.888 N/A LEU 236.A N ASP 240.A O no hydrogen 2.914 N/A GLY 239.A N LEU 236.A O no hydrogen 3.181 N/A VAL 241.A N ASP 240.A OD1 no hydrogen 3.033 N/A VAL 242.A N ALA 234.A O no hydrogen 3.195 N/A ARG 244.A N ALA 232.A O no hydrogen 2.884 N/A PHE 246.A N TYR 230.A O no hydrogen 3.000 N/A ARG 249.A NE PRO 359.A O no hydrogen 2.740 N/A ARG 249.A NH1 ARG 249.A O no hydrogen 3.317 N/A ARG 249.A NH2 PRO 359.A O no hydrogen 3.021 N/A SER 250.A N ASN 262.A OD1 no hydrogen 3.034 N/A LYS 252.A N PHE 260.A O no hydrogen 3.063 N/A ASP 254.A N GLY 258.A O no hydrogen 2.883 N/A SER 255.A OG PRO 449.A O no hydrogen 2.824 N/A ARG 256.A N ASP 254.A OD2 no hydrogen 3.001 N/A ARG 256.A NH1 ASP 450.A OD1 no hydrogen 2.950 N/A ARG 256.A NH2 ASP 450.A OD1 no hydrogen 3.371 N/A GLU 257.A N ASP 254.A OD2 no hydrogen 2.810 N/A GLY 258.A N ASP 254.A O no hydrogen 2.894 N/A PHE 260.A N LYS 252.A O no hydrogen 2.765 N/A LEU 261.A N ARG 264.A O no hydrogen 2.779 N/A ASN 262.A N SER 250.A O no hydrogen 2.814 N/A ASN 262.A ND2 TRP 221.A O no hydrogen 3.003 N/A ASN 262.A ND2 ASP 222.A OD1 no hydrogen 2.670 N/A ARG 264.A N LEU 261.A O no hydrogen 2.979 N/A ARG 264.A NH1 ASP 222.A OD1 no hydrogen 3.484 N/A ARG 264.A NH1 ASP 222.A OD2 no hydrogen 3.040 N/A ARG 264.A NH2 ASP 222.A OD1 no hydrogen 2.996 N/A ARG 264.A NH2 LEU 261.A O no hydrogen 2.828 N/A TYR 266.A N PHE 259.A O no hydrogen 2.879 N/A ARG 269.A N ASN 302.A OD1 no hydrogen 2.916 N/A ARG 269.A NH1 LEU 268.A O no hydrogen 2.793 N/A ARG 269.A NH1 LEU 498.A O no hydrogen 2.807 N/A ARG 269.A NH2 LEU 498.A O no hydrogen 2.982 N/A GLY 270.A N THR 501.A O no hydrogen 2.899 N/A VAL 271.A N THR 303.A O no hydrogen 3.051 N/A SER 272.A N VAL 503.A O no hydrogen 2.964 N/A SER 272.A OG ARG 305.A O no hydrogen 3.459 N/A ARG 273.A N ARG 305.A O no hydrogen 3.352 N/A ARG 273.A NE ASP 292.A OD2 no hydrogen 2.910 N/A ARG 273.A NH1 HIS 311.A ND1 no hydrogen 3.145 N/A ARG 273.A NH2 HIS 289.A ND1 no hydrogen 3.037 N/A ARG 273.A NH2 ASP 292.A OD2 no hydrogen 2.899 N/A HIS 274.A ND1 TYR 309.A OH no hydrogen 2.736 N/A GLN 275.A N TYR 309.A OH no hydrogen 3.046 N/A GLN 275.A NE2 TYR 135.A OH no hydrogen 3.285 N/A ARG 277.A N GLY 281.A O no hydrogen 3.003 N/A ARG 277.A NH1 GLU 291.A OE1 no hydrogen 2.721 N/A ARG 277.A NH2 GLU 291.A OE1 no hydrogen 3.161 N/A ARG 277.A NH2 ASP 292.A OD1 no hydrogen 3.099 N/A ALA 278.A N MET 530.A O no hydrogen 3.252 N/A GLY 279.A N GLN 37.A OE1 no hydrogen 3.008 N/A GLY 281.A N ARG 277.A O no hydrogen 2.996 N/A ALA 283.A N ALA 280.A O no hydrogen 3.288 N/A MET 288.A N THR 285.A OG1 no hydrogen 3.288 N/A HIS 289.A N THR 285.A O no hydrogen 3.253 N/A ARG 290.A N TYR 286.A O no hydrogen 2.927 N/A GLU 291.A N GLU 287.A O no hydrogen 2.893 N/A ASP 292.A N MET 288.A O no hydrogen 3.023 N/A MET 293.A N HIS 289.A O no hydrogen 3.091 N/A ALA 294.A N ARG 290.A O no hydrogen 2.807 N/A ILE 295.A N GLU 291.A O no hydrogen 3.026 N/A VAL 296.A N ASP 292.A O no hydrogen 3.004 N/A ARG 297.A N MET 293.A O no hydrogen 2.856 N/A ARG 297.A NH1 ASN 322.A OD1 no hydrogen 2.761 N/A GLU 298.A N ALA 294.A O no hydrogen 3.042 N/A LEU 299.A N ILE 295.A O no hydrogen 3.041 N/A GLY 300.A N VAL 296.A O no hydrogen 3.085 N/A GLY 300.A N ARG 297.A O no hydrogen 3.159 N/A ASN 302.A N ARG 269.A O no hydrogen 3.306 N/A ASN 302.A ND2 PRO 267.A O no hydrogen 2.947 N/A THR 303.A OG1 ILE 325.A O no hydrogen 2.812 N/A THR 303.A OG1 HIS 502.A NE2 no hydrogen 2.934 N/A ILE 304.A N ILE 325.A O no hydrogen 2.987 N/A ARG 305.A N VAL 271.A O no hydrogen 2.741 N/A ARG 305.A NE GLU 329.A OE1 no hydrogen 3.416 N/A ARG 305.A NH1 SER 456.A O no hydrogen 3.112 N/A ARG 305.A NH1 GLU 457.A OE2 no hydrogen 3.161 N/A ARG 305.A NH2 GLU 329.A OE1 no hydrogen 2.900 N/A ARG 305.A NH2 ASN 368.A OD1 no hydrogen 2.710 N/A LEU 306.A N TRP 327.A O no hydrogen 2.953 N/A ALA 307.A N ARG 305.A O no hydrogen 2.994 N/A HIS 308.A ND1 GLU 329.A OE2 no hydrogen 2.728 N/A TYR 309.A OH HIS 274.A ND1 no hydrogen 2.736 N/A GLN 310.A NE2 GLN 354.A OE1 no hydrogen 2.801 N/A HIS 311.A N TYR 316.A OH no hydrogen 2.992 N/A HIS 311.A NE2 ALA 307.A O no hydrogen 2.826 N/A GLN 313.A NE2 ASN 355.A OD1 no hydrogen 2.790 N/A GLU 314.A N GLU 314.A OE1 no hydrogen 2.855 N/A PHE 315.A N ALA 312.A O no hydrogen 2.917 N/A TYR 316.A N ALA 312.A O no hydrogen 3.114 N/A ASP 317.A N GLN 313.A O no hydrogen 2.826 N/A LEU 318.A N GLU 314.A O no hydrogen 2.991 N/A CYS 319.A N PHE 315.A O no hydrogen 3.019 N/A CYS 319.A SG PHE 315.A O no hydrogen 3.396 N/A ASP 320.A N TYR 316.A O no hydrogen 2.928 N/A GLU 321.A N ASP 317.A O no hydrogen 2.816 N/A ASN 322.A N LEU 318.A O no hydrogen 2.942 N/A ASN 322.A N CYS 319.A O no hydrogen 3.230 N/A ASN 322.A ND2 LEU 318.A O no hydrogen 2.858 N/A ILE 324.A N CYS 319.A O no hydrogen 3.052 N/A ILE 325.A N ASN 302.A O no hydrogen 3.099 N/A VAL 326.A N SER 360.A O no hydrogen 2.636 N/A TRP 327.A N ILE 304.A O no hydrogen 3.151 N/A ALA 328.A N CYS 363.A O no hydrogen 3.324 N/A TYR 332.A OH HIS 336.A ND1 no hydrogen 2.755 N/A THR 334.A N ASN 368.A O no hydrogen 3.051 N/A THR 334.A OG1 LYS 125.A O no hydrogen 2.521 N/A MET 335.A N ILE 333.A O no hydrogen 2.718 N/A HIS 336.A N SER 374.A OG no hydrogen 2.736 N/A HIS 336.A ND1 TYR 332.A OH no hydrogen 2.755 N/A HIS 336.A NE2 GLU 379.A OE1 no hydrogen 2.942 N/A MET 337.A N TYR 122.A OH no hydrogen 2.958 N/A GLY 340.A N MET 337.A O no hydrogen 2.963 N/A THR 341.A N ALA 338.A O no hydrogen 3.337 N/A THR 341.A OG1 ALA 338.A O no hydrogen 3.259 N/A THR 341.A OG1 ASN 383.A OD1 no hydrogen 2.857 N/A ASN 343.A ND2 GLU 89.A O no hydrogen 3.233 N/A THR 344.A N GLY 340.A O no hydrogen 3.028 N/A THR 344.A OG1 THR 341.A O no hydrogen 2.710 N/A LEU 345.A N THR 341.A O no hydrogen 3.341 N/A SER 346.A N GLU 342.A O no hydrogen 2.931 N/A GLN 347.A N ASN 343.A O no hydrogen 2.947 N/A GLN 347.A NE2 TYR 122.A O no hydrogen 3.156 N/A GLN 347.A NE2 ASN 343.A OD1 no hydrogen 3.108 N/A MET 348.A N THR 344.A O no hydrogen 3.087 N/A LYS 349.A N LEU 345.A O no hydrogen 3.037 N/A LYS 349.A NZ TYR 152.A OH no hydrogen 2.833 N/A GLU 350.A N SER 346.A O no hydrogen 3.021 N/A LEU 351.A N GLN 347.A O no hydrogen 2.800 N/A ILE 352.A N MET 348.A O no hydrogen 2.927 N/A VAL 353.A N LYS 349.A O no hydrogen 2.809 N/A GLN 354.A N GLU 350.A O no hydrogen 2.878 N/A GLN 354.A NE2 THR 94.A O no hydrogen 2.952 N/A GLN 354.A NE2 ALA 153.A O no hydrogen 2.795 N/A ASN 355.A N ILE 352.A O no hydrogen 3.226 N/A ASN 355.A ND2 LEU 351.A O no hydrogen 2.928 N/A TYR 356.A OH THR 161.A OG1 no hydrogen 2.676 N/A HIS 357.A N HIS 357.A ND1 no hydrogen 2.909 N/A HIS 358.A N ASN 355.A O no hydrogen 3.119 N/A HIS 358.A ND1 ASP 320.A OD2 no hydrogen 2.727 N/A HIS 358.A NE2 GLN 313.A OE1 no hydrogen 2.845 N/A SER 360.A N ASP 320.A OD1 no hydrogen 3.029 N/A SER 360.A OG ASP 320.A OD1 no hydrogen 2.722 N/A ILE 361.A N HIS 358.A O no hydrogen 3.125 N/A VAL 362.A N VAL 326.A O no hydrogen 3.050 N/A TRP 364.A N PRO 399.A O no hydrogen 3.184 N/A TRP 364.A NE1 ASP 395.A OD2 no hydrogen 2.769 N/A GLY 365.A N ALA 328.A O no hydrogen 2.715 N/A LEU 366.A N VAL 401.A O no hydrogen 2.992 N/A SER 367.A OG HIS 384.A NE2 no hydrogen 2.693 N/A ASN 368.A N TYR 332.A O no hydrogen 2.993 N/A GLU 369.A N ALA 403.A O no hydrogen 2.840 N/A ALA 372.A N GLU 369.A O no hydrogen 2.928 N/A ALA 373.A N THR 334.A O no hydrogen 2.915 N/A SER 374.A OG ILE 370.A O no hydrogen 2.587 N/A LEU 380.A N ASN 377.A OD1 no hydrogen 2.909 N/A LEU 381.A N ASN 377.A O no hydrogen 3.028 N/A GLU 382.A N GLU 378.A O no hydrogen 2.888 N/A ASN 383.A N GLU 379.A O no hydrogen 3.111 N/A ASN 383.A ND2 THR 344.A OG1 no hydrogen 3.052 N/A HIS 384.A N LEU 380.A O no hydrogen 3.220 N/A HIS 384.A ND1 LEU 380.A O no hydrogen 3.085 N/A HIS 384.A NE2 SER 367.A OG no hydrogen 2.693 N/A ARG 385.A N LEU 381.A O no hydrogen 2.874 N/A ARG 385.A NE GLU 382.A OE1 no hydrogen 3.094 N/A ARG 385.A NH2 GLU 382.A OE1 no hydrogen 2.644 N/A ARG 386.A N GLU 382.A O no hydrogen 2.849 N/A ARG 386.A NH2 GLU 342.A OE2 no hydrogen 3.459 N/A LEU 387.A N ASN 383.A O no hydrogen 3.057 N/A ASN 388.A N HIS 384.A O no hydrogen 2.774 N/A ASP 389.A N ARG 385.A O no hydrogen 2.854 N/A LEU 390.A N ARG 386.A O no hydrogen 3.035 N/A CYS 391.A N LEU 387.A O no hydrogen 2.967 N/A CYS 391.A SG LEU 387.A O no hydrogen 3.422 N/A HIS 392.A N ASN 388.A O no hydrogen 3.074 N/A HIS 392.A NE2 ASP 419.A OD2 no hydrogen 2.721 N/A GLU 393.A N ASP 389.A O no hydrogen 2.725 N/A LEU 394.A N LEU 390.A O no hydrogen 2.778 N/A ASP 395.A N CYS 391.A O no hydrogen 2.832 N/A LYS 396.A NZ HIS 392.A O no hydrogen 3.181 N/A LYS 396.A NZ GLU 393.A O no hydrogen 3.164 N/A THR 397.A N ASP 395.A OD1 no hydrogen 2.902 N/A THR 397.A OG1 ASP 395.A OD1 no hydrogen 2.787 N/A ARG 398.A NE ILE 361.A O no hydrogen 2.728 N/A ARG 398.A NH1 TYR 356.A O no hydrogen 3.152 N/A ARG 398.A NH1 ASP 395.A OD2 no hydrogen 2.874 N/A ARG 398.A NH2 TYR 356.A O no hydrogen 2.792 N/A ARG 398.A NH2 HIS 358.A O no hydrogen 2.986 N/A THR 400.A N ASP 419.A OD2 no hydrogen 2.886 N/A THR 400.A OG1 ASN 388.A OD1 no hydrogen 2.650 N/A VAL 401.A N TRP 364.A O no hydrogen 3.021 N/A ALA 403.A N SER 367.A O no hydrogen 3.206 N/A ASP 404.A N SER 422.A O no hydrogen 2.792 N/A LEU 408.A N VAL 405.A O no hydrogen 3.106 N/A SER 412.A N GLU 409.A O no hydrogen 3.055 N/A MET 414.A N SER 412.A OG no hydrogen 3.237 N/A LEU 415.A N SER 412.A O no hydrogen 3.081 N/A GLU 416.A N PRO 413.A O no hydrogen 3.189 N/A ILE 417.A N MET 414.A O no hydrogen 3.184 N/A ASP 419.A N THR 400.A OG1 no hydrogen 2.866 N/A MET 420.A N THR 400.A O no hydrogen 2.921 N/A ASN 421.A N VAL 452.A O no hydrogen 3.167 N/A ASN 421.A ND2 LEU 415.A O no hydrogen 3.034 N/A SER 422.A N MET 402.A O no hydrogen 3.131 N/A TYR 423.A N GLY 454.A O no hydrogen 3.079 N/A TYR 423.A OH LEU 408.A O no hydrogen 2.669 N/A ASN 424.A N ASP 404.A O no hydrogen 2.881 N/A ASN 424.A ND2 ASN 368.A OD1 no hydrogen 3.018 N/A ASN 424.A ND2 GLU 369.A OE2 no hydrogen 3.038 N/A LEU 425.A N GLU 457.A O no hydrogen 3.111 N/A TYR 426.A OH GLU 457.A OE1 no hydrogen 2.409 N/A GLY 428.A N ILE 431.A O no hydrogen 2.906 N/A TRP 429.A N TYR 426.A O no hydrogen 3.048 N/A TYR 430.A N TYR 426.A O no hydrogen 2.994 N/A GLU 433.A N GLN 436.A OE1 no hydrogen 2.563 N/A GLN 436.A N GLU 433.A O no hydrogen 2.961 N/A ASN 437.A N LEU 434.A O no hydrogen 2.982 N/A ASN 437.A ND2 PHE 427.A O no hydrogen 2.879 N/A ASN 437.A ND2 LEU 434.A O no hydrogen 2.948 N/A SER 439.A N ASP 435.A O no hydrogen 3.214 N/A SER 439.A OG ASP 435.A O no hydrogen 3.443 N/A SER 439.A OG GLN 436.A O no hydrogen 3.356 N/A PHE 440.A N GLN 436.A O no hydrogen 2.877 N/A PHE 441.A N ASN 437.A O no hydrogen 3.246 N/A ASP 442.A N ASP 438.A O no hydrogen 2.946 N/A GLU 443.A N SER 439.A O no hydrogen 2.829 N/A TYR 444.A N PHE 440.A O no hydrogen 2.978 N/A HIS 445.A N PHE 441.A O no hydrogen 2.828 N/A SER 446.A N ASP 442.A O no hydrogen 2.848 N/A THR 447.A N GLU 443.A O no hydrogen 2.982 N/A THR 447.A OG1 GLU 443.A O no hydrogen 2.942 N/A TYR 448.A N TYR 444.A O no hydrogen 2.768 N/A ARG 451.A N TYR 448.A O no hydrogen 3.069 N/A ARG 451.A NH1 THR 410.A O no hydrogen 3.303 N/A ARG 451.A NH1 TYR 444.A OH no hydrogen 3.041 N/A LEU 455.A N ALA 500.A O no hydrogen 2.970 N/A SER 456.A N TYR 423.A O no hydrogen 2.911 N/A SER 456.A OG ASN 424.A OD1 no hydrogen 2.671 N/A TYR 458.A OH TYR 542.A OH no hydrogen 2.733 N/A ALA 462.A N GLN 524.A O no hydrogen 3.074 N/A ASN 463.A N TYR 476.A O no hydrogen 2.956 N/A ASN 463.A ND2 GLY 517.A O no hydrogen 2.736 N/A ALA 465.A N ASN 463.A OD1 no hydrogen 3.021 N/A TYR 466.A N ASN 463.A O no hydrogen 2.902 N/A HIS 467.A N TYR 631.A O no hydrogen 2.817 N/A HIS 467.A ND1 GLU 479.A OE2 no hydrogen 2.812 N/A HIS 467.A NE2 PRO 464.A O no hydrogen 2.650 N/A SER 468.A N GLU 479.A OE1 no hydrogen 2.915 N/A ASN 470.A N SER 468.A OG no hydrogen 2.807 N/A GLU 472.A N ASP 475.A OD2 no hydrogen 2.716 N/A ARG 473.A NH1 TRP 429.A O no hydrogen 2.812 N/A ASP 475.A N GLU 472.A O no hydrogen 2.999 N/A THR 477.A N ASP 475.A OD1 no hydrogen 2.724 N/A THR 477.A OG1 ASP 475.A OD1 no hydrogen 2.551 N/A THR 477.A OG1 ASP 475.A OD2 no hydrogen 3.457 N/A GLU 478.A N TYR 466.A O no hydrogen 3.148 N/A TYR 480.A N THR 477.A OG1 no hydrogen 2.969 N/A TYR 480.A OH GLY 428.A O no hydrogen 2.724 N/A GLN 481.A N THR 477.A O no hydrogen 3.416 N/A GLN 481.A NE2 ALA 460.A O no hydrogen 2.830 N/A GLN 481.A NE2 GLY 526.A O no hydrogen 3.086 N/A CYS 482.A SG GLU 478.A O no hydrogen 3.678 N/A VAL 483.A N GLU 479.A O no hydrogen 3.116 N/A TYR 484.A N TYR 480.A O no hydrogen 2.861 N/A HIS 485.A N GLN 481.A O no hydrogen 2.975 N/A HIS 485.A ND1 TYR 542.A OH no hydrogen 2.721 N/A GLU 486.A N CYS 482.A O no hydrogen 2.787 N/A HIS 487.A N VAL 483.A O no hydrogen 3.209 N/A HIS 487.A NE2 ASP 438.A OD1 no hydrogen 2.828 N/A MET 488.A N TYR 484.A O no hydrogen 2.990 N/A ALA 489.A N HIS 485.A O no hydrogen 2.946 N/A LYS 490.A N GLU 486.A O no hydrogen 3.264 N/A MET 491.A N HIS 487.A O no hydrogen 2.935 N/A ILE 492.A N MET 488.A O no hydrogen 2.865 N/A GLU 493.A N ALA 489.A O no hydrogen 2.976 N/A GLU 494.A N LYS 490.A O no hydrogen 3.145 N/A GLU 494.A N MET 491.A O no hydrogen 3.251 N/A ARG 495.A N ILE 492.A O no hydrogen 3.035 N/A ARG 495.A NE ASP 442.A OD1 no hydrogen 3.046 N/A ARG 495.A NH1 MET 491.A O no hydrogen 2.920 N/A ARG 495.A NH1 GLU 494.A OE1 no hydrogen 2.966 N/A ARG 495.A NH2 ASP 442.A OD1 no hydrogen 3.198 N/A ARG 495.A NH2 ASP 442.A OD2 no hydrogen 3.235 N/A LEU 498.A N ARG 495.A O no hydrogen 3.054 N/A TRP 499.A N ILE 453.A O no hydrogen 3.032 N/A TRP 499.A NE1 SER 422.A OG no hydrogen 2.983 N/A THR 501.A N LEU 268.A O no hydrogen 3.042 N/A HIS 502.A N LEU 455.A O no hydrogen 3.024 N/A HIS 502.A NE2 THR 303.A OG1 no hydrogen 2.934 N/A VAL 503.A N GLY 270.A O no hydrogen 2.817 N/A TRP 504.A N TYR 458.A O no hydrogen 2.780 N/A ASN 505.A N LYS 525.A O no hydrogen 3.123 N/A LEU 506.A N SER 272.A O no hydrogen 2.960 N/A PHE 507.A N ASN 505.A OD1 no hydrogen 2.933 N/A ASP 508.A N VAL 528.A O no hydrogen 2.970 N/A PHE 509.A N ASN 523.A O no hydrogen 3.300 N/A ALA 510.A N ASP 276.A OD2 no hydrogen 2.963 N/A ALA 511.A N GLY 521.A O no hydrogen 2.757 N/A ASP 512.A N THR 129.A OG1 no hydrogen 3.036 N/A ARG 514.A N ALA 511.A O no hydrogen 2.928 N/A ARG 514.A NH1 ASP 127.A OD1 no hydrogen 3.301 N/A ARG 519.A N GLU 516.A O no hydrogen 2.954 N/A ARG 519.A NE GLU 522.A OE1 no hydrogen 2.875 N/A ARG 519.A NH2 GLU 522.A OE2 no hydrogen 2.913 N/A GLY 521.A N ARG 514.A O no hydrogen 2.687 N/A ASN 523.A N PHE 509.A O no hydrogen 2.819 N/A ASN 523.A ND2 ASP 127.A OD2 no hydrogen 2.958 N/A GLN 524.A N ASP 461.A OD2 no hydrogen 3.179 N/A GLN 524.A NE2 GLY 517.A O no hydrogen 3.228 N/A LYS 525.A N ASN 523.A OD1 no hydrogen 2.871 N/A LYS 525.A NZ ASP 461.A OD1 no hydrogen 2.612 N/A GLY 526.A N ASP 508.A OD1 no hydrogen 2.872 N/A LEU 527.A N ASN 505.A O no hydrogen 2.959 N/A LEU 527.A N LEU 506.A O no hydrogen 3.015 N/A THR 529.A N ILE 534.A O no hydrogen 2.865 N/A THR 529.A OG1 ASP 531.A OD1 no hydrogen 2.786 N/A THR 529.A OG1 ILE 534.A O no hydrogen 3.550 N/A ARG 532.A N THR 529.A O no hydrogen 2.958 N/A ARG 532.A NE ASP 292.A OD1 no hydrogen 2.845 N/A ARG 532.A NH1 MET 530.A O no hydrogen 2.933 N/A ARG 532.A NH2 ASP 292.A OD1 no hydrogen 3.475 N/A ARG 532.A NH2 ASP 292.A OD2 no hydrogen 3.104 N/A ARG 533.A N ASP 531.A OD1 no hydrogen 2.925 N/A ILE 534.A N THR 529.A OG1 no hydrogen 3.174 N/A LYS 535.A NZ GLU 298.A OE1 no hydrogen 3.391 N/A LYS 536.A N LEU 527.A O no hydrogen 2.847 N/A LYS 536.A NZ ALA 462.A O no hydrogen 3.106 N/A LYS 536.A NZ ASP 508.A OD1 no hydrogen 2.651 N/A LYS 536.A NZ ASP 508.A OD2 no hydrogen 3.286 N/A LYS 536.A NZ GLY 526.A O no hydrogen 2.902 N/A ASP 537.A N GLU 478.A OE2 no hydrogen 2.827 N/A PHE 539.A N LYS 536.A O no hydrogen 3.084 N/A TYR 540.A N ASP 537.A O no hydrogen 2.938 N/A VAL 541.A N ALA 538.A O no hydrogen 3.149 N/A TYR 542.A OH TYR 458.A OH no hydrogen 2.733 N/A TYR 542.A OH HIS 485.A ND1 no hydrogen 2.721 N/A LYS 543.A N PHE 539.A O no hydrogen 3.053 N/A LYS 543.A NZ GLU 298.A OE2 no hydrogen 2.661 N/A ALA 544.A N TYR 540.A O no hydrogen 2.996 N/A TYR 545.A N VAL 541.A O no hydrogen 3.197 N/A TRP 546.A N TYR 542.A O no hydrogen 2.843 N/A TRP 546.A N LYS 543.A O no hydrogen 3.368 N/A SER 547.A N LYS 543.A O no hydrogen 2.928 N/A ALA 549.A N SER 547.A OG no hydrogen 3.202 N/A PHE 551.A N ASN 574.A OD1 no hydrogen 3.188 N/A HIS 553.A N TYR 572.A O no hydrogen 2.717 N/A HIS 553.A NE2 ASP 537.A OD1 no hydrogen 2.844 N/A LEU 554.A N ASP 617.A OD2 no hydrogen 2.892 N/A CYS 555.A N LYS 570.A O no hydrogen 2.889 N/A CYS 555.A SG LYS 570.A O no hydrogen 3.555 N/A GLY 556.A N ASP 537.A OD2 no hydrogen 2.942 N/A ARG 558.A NE GLU 478.A OE1 no hydrogen 2.834 N/A ARG 558.A NH2 GLU 478.A OE1 no hydrogen 3.439 N/A ARG 558.A NH2 GLU 478.A OE2 no hydrogen 2.439 N/A TYR 559.A N GLY 556.A O no hydrogen 3.029 N/A TYR 559.A OH GLU 564.A OE2 no hydrogen 3.328 N/A THR 560.A N TYR 631.A OH no hydrogen 3.154 N/A ASP 561.A N TYR 631.A OH no hydrogen 3.229 N/A ARG 562.A N ARG 622.A O no hydrogen 2.899 N/A ARG 562.A NE TYR 559.A O no hydrogen 2.758 N/A ARG 562.A NH1 THR 567.A OG1 no hydrogen 2.878 N/A ARG 562.A NH1 GLU 568.A O no hydrogen 3.171 N/A ARG 562.A NH2 GLY 556.A O no hydrogen 3.432 N/A ARG 562.A NH2 TYR 559.A O no hydrogen 3.004 N/A GLU 564.A N GLU 564.A OE1 no hydrogen 2.867 N/A THR 567.A N VAL 600.A O no hydrogen 3.074 N/A THR 567.A OG1 GLU 564.A OE2 no hydrogen 2.624 N/A ILE 569.A N PHE 598.A O no hydrogen 2.817 N/A LYS 570.A NZ GLU 486.A OE2 no hydrogen 2.685 N/A VAL 571.A N PHE 596.A O no hydrogen 2.768 N/A TYR 572.A N HIS 553.A O no hydrogen 2.687 N/A TYR 572.A OH GLU 486.A OE2 no hydrogen 2.592 N/A SER 573.A N ARG 594.A O no hydrogen 2.948 N/A SER 573.A OG PHE 551.A O no hydrogen 2.612 N/A ASN 574.A ND2 SER 547.A O no hydrogen 2.957 N/A ASN 574.A ND2 ALA 549.A O no hydrogen 2.935 N/A GLN 575.A N SER 573.A OG no hydrogen 2.951 N/A VAL 578.A N LYS 590.A O no hydrogen 3.039 N/A SER 579.A N VAL 611.A O no hydrogen 2.758 N/A SER 579.A OG THR 589.A OG1 no hydrogen 3.149 N/A LEU 580.A N GLU 588.A O no hydrogen 2.859 N/A PHE 581.A N ARG 609.A O no hydrogen 2.654 N/A VAL 582.A N ALA 585.A O no hydrogen 2.840 N/A ASP 583.A N THR 607.A O no hydrogen 2.840 N/A ALA 585.A N VAL 582.A O no hydrogen 2.884 N/A LYS 587.A N LEU 580.A O no hydrogen 2.894 N/A THR 589.A OG1 SER 579.A OG no hydrogen 3.149 N/A LYS 590.A N VAL 578.A O no hydrogen 3.075 N/A LYS 590.A NZ ARG 597.A O no hydrogen 2.966 N/A GLY 592.A N LYS 576.A O no hydrogen 3.004 N/A ARG 594.A NH1 GLU 493.A OE2 no hydrogen 2.978 N/A ILE 595.A N ALA 593.A O no hydrogen 2.798 N/A PHE 596.A N VAL 571.A O no hydrogen 2.841 N/A ARG 597.A NH2 GLU 486.A OE1 no hydrogen 3.035 N/A PHE 598.A N ILE 569.A O no hydrogen 2.785 N/A VAL 600.A N THR 567.A O no hydrogen 2.945 N/A ILE 602.A N ASP 565.A O no hydrogen 2.892 N/A THR 603.A N HIS 606.A NE2 no hydrogen 2.939 N/A GLY 604.A N HIS 606.A NE2 no hydrogen 2.941 N/A HIS 606.A N VAL 621.A O no hydrogen 2.765 N/A HIS 606.A ND1 ASP 583.A OD1 no hydrogen 2.907 N/A THR 607.A N ASP 583.A OD2 no hydrogen 3.042 N/A ILE 608.A N ILE 619.A O no hydrogen 2.875 N/A ARG 609.A N PHE 581.A O no hydrogen 2.800 N/A ALA 610.A N ASP 617.A O no hydrogen 2.929 N/A VAL 611.A N SER 579.A O no hydrogen 2.845 N/A SER 612.A N CYS 615.A O no hydrogen 3.080 N/A SER 612.A OG LYS 577.A O no hydrogen 2.569 N/A CYS 615.A N SER 612.A O no hydrogen 3.050 N/A ASP 617.A N ALA 610.A O no hydrogen 3.035 N/A GLU 618.A N ASP 617.A OD1 no hydrogen 2.928 N/A ILE 619.A N ILE 608.A O no hydrogen 2.944 N/A VAL 621.A N HIS 606.A O no hydrogen 2.950 N/A ARG 622.A N THR 560.A O no hydrogen 2.828 N/A ARG 622.A NE ASP 561.A OD1 no hydrogen 2.770 N/A ARG 622.A NH2 ASP 561.A OD1 no hydrogen 3.384 N/A ARG 622.A NH2 ASP 561.A OD2 no hydrogen 2.884 N/A LYS 623.A N GLY 604.A O no hydrogen 2.875 N/A LYS 623.A NZ VAL 624.A O no hydrogen 2.857 N/A VAL 624.A N ARG 562.A O no hydrogen 2.944 N/A ASN 628.A ND2 ASP 561.A OD2 no hydrogen 3.346 N/A ASP 630.A N ASN 628.A OD1 no hydrogen 2.842 N/A TYR 631.A N ASN 628.A O no hydrogen 3.224 N/A ILE 632.A N PRO 629.A O no hydrogen 3.186 N/A