Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pyi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NE ASP 100.A OD1 no hydrogen 3.034 N/A ARG 1.A NE ASP 100.A OD2 no hydrogen 3.479 N/A ARG 1.A NH1 ASP 100.A OD2 no hydrogen 3.229 N/A ARG 1.A NH1 ASP 109.A OD2 no hydrogen 2.774 N/A ARG 1.A NH2 ASP 109.A OD2 no hydrogen 3.159 N/A SER 5.A N GLU 473.A OE2 no hydrogen 3.294 N/A SER 5.A OG GLU 473.A OE1 no hydrogen 3.095 N/A SER 5.A OG GLU 473.A OE2 no hydrogen 2.598 N/A VAL 6.A N GLU 473.A OE1 no hydrogen 3.107 N/A ARG 7.A N ILE 4.A O no hydrogen 3.275 N/A GLY 8.A N SER 5.A O no hydrogen 3.070 N/A VAL 15.A N GLY 11.A O no hydrogen 2.805 N/A THR 16.A N VAL 12.A O no hydrogen 3.041 N/A THR 16.A OG1 VAL 12.A O no hydrogen 3.004 N/A GLU 17.A N GLU 13.A O no hydrogen 2.910 N/A LEU 18.A N ASN 14.A O no hydrogen 2.867 N/A LYS 19.A N VAL 15.A O no hydrogen 3.036 N/A LYS 19.A NZ GLN 105.A OE1 no hydrogen 2.955 N/A LYS 20.A N THR 16.A O no hydrogen 3.150 N/A ASN 21.A N GLU 17.A O no hydrogen 2.907 N/A PHE 22.A N LEU 18.A O no hydrogen 2.820 N/A ASN 23.A N LYS 19.A O no hydrogen 3.004 N/A ARG 24.A N LYS 20.A O no hydrogen 2.900 N/A ARG 24.A NE ASN 21.A OD1 no hydrogen 3.014 N/A ARG 24.A NH2 ASN 21.A OD1 no hydrogen 3.454 N/A ARG 24.A NH2 ASP 52.A OD1 no hydrogen 3.056 N/A HIS 25.A N ASN 21.A O no hydrogen 2.963 N/A LEU 26.A N PHE 22.A O no hydrogen 3.018 N/A HIS 27.A N ASN 23.A O no hydrogen 3.069 N/A PHE 28.A N ARG 24.A O no hydrogen 2.774 N/A THR 29.A N HIS 25.A O no hydrogen 2.841 N/A LEU 30.A N HIS 25.A O no hydrogen 2.819 N/A LYS 32.A N LEU 26.A O no hydrogen 2.955 N/A LYS 32.A NZ ASP 41.A OD1 no hydrogen 3.470 N/A ARG 34.A NH1 TYR 42.A OH no hydrogen 3.517 N/A ARG 34.A NH1 LEU 106.A O no hydrogen 3.319 N/A ARG 34.A NH2 LEU 106.A O no hydrogen 2.658 N/A VAL 36.A N ASP 33.A O no hydrogen 3.215 N/A ALA 37.A N ASP 33.A O no hydrogen 3.166 N/A THR 38.A N ASP 41.A OD1 no hydrogen 2.752 N/A THR 38.A OG1 ASP 41.A OD1 no hydrogen 2.934 N/A ASP 41.A N THR 38.A OG1 no hydrogen 3.206 N/A TYR 42.A N THR 38.A O no hydrogen 3.051 N/A TYR 43.A N PRO 39.A O no hydrogen 2.859 N/A PHE 44.A N ARG 40.A O no hydrogen 2.953 N/A ALA 45.A N ASP 41.A O no hydrogen 2.847 N/A LEU 46.A N TYR 42.A O no hydrogen 3.009 N/A ALA 47.A N TYR 43.A O no hydrogen 2.781 N/A HIS 48.A N PHE 44.A O no hydrogen 2.889 N/A THR 49.A N ALA 45.A O no hydrogen 3.092 N/A THR 49.A OG1 ALA 45.A O no hydrogen 2.695 N/A VAL 50.A N LEU 46.A O no hydrogen 2.866 N/A ARG 51.A N ALA 47.A O no hydrogen 2.845 N/A ARG 51.A NE TRP 180.A O no hydrogen 3.506 N/A ASP 52.A N HIS 48.A O no hydrogen 2.973 N/A HIS 53.A N VAL 50.A O no hydrogen 2.946 N/A LEU 54.A N ARG 51.A O no hydrogen 3.000 N/A VAL 55.A N ASP 52.A O no hydrogen 3.419 N/A ARG 57.A NE ASN 227.A OD1 no hydrogen 2.960 N/A ARG 57.A NH1 ASN 227.A OD1 no hydrogen 3.443 N/A ARG 57.A NH2 HIS 53.A O no hydrogen 2.887 N/A TRP 58.A N LEU 54.A O no hydrogen 2.855 N/A TRP 58.A NE1 THR 231.A OG1 no hydrogen 2.823 N/A ILE 59.A N VAL 55.A O no hydrogen 2.936 N/A ARG 60.A N GLY 56.A O no hydrogen 2.881 N/A THR 61.A N ARG 57.A O no hydrogen 2.725 N/A THR 61.A OG1 ARG 57.A O no hydrogen 2.614 N/A GLN 62.A N TRP 58.A O no hydrogen 3.258 N/A GLN 62.A NE2 VAL 229.A O no hydrogen 3.067 N/A GLN 63.A N ILE 59.A O no hydrogen 3.016 N/A GLN 63.A NE2 GLN 63.A O no hydrogen 3.244 N/A HIS 64.A N ARG 60.A O no hydrogen 2.778 N/A TYR 65.A N THR 61.A O no hydrogen 3.067 N/A TYR 65.A OH ASN 230.A OD1 no hydrogen 2.668 N/A TYR 66.A N GLN 62.A O no hydrogen 3.245 N/A GLU 67.A N GLN 63.A O no hydrogen 2.940 N/A LYS 68.A N HIS 64.A O no hydrogen 2.800 N/A ASP 69.A N TYR 65.A O no hydrogen 2.921 N/A LYS 71.A NZ PRO 302.A O no hydrogen 2.858 N/A LYS 71.A NZ TRP 796.A O no hydrogen 2.876 N/A ARG 72.A N LYS 304.A O no hydrogen 2.911 N/A ARG 72.A NE TYR 146.A OH no hydrogen 3.053 N/A ARG 72.A NH1 ASP 69.A OD1 no hydrogen 3.228 N/A ARG 72.A NH1 PRO 70.A O no hydrogen 3.283 N/A ILE 73.A N ALA 144.A O no hydrogen 2.926 N/A TYR 74.A N ALA 306.A O no hydrogen 2.735 N/A TYR 75.A N TYR 146.A O no hydrogen 2.849 N/A LEU 76.A N GLN 308.A O no hydrogen 2.992 N/A SER 77.A N TYR 148.A O no hydrogen 3.077 N/A SER 77.A OG GLU 79.A O no hydrogen 2.656 N/A GLU 79.A N SER 77.A OG no hydrogen 3.108 N/A PHE 80.A N LEU 122.A O no hydrogen 2.889 N/A TYR 81.A N GLY 128.A O no hydrogen 2.969 N/A GLY 83.A N ALA 120.A O no hydrogen 3.261 N/A ARG 84.A NE.A GLU 117.A O no hydrogen 2.867 N/A ARG 84.A NH1.A GLU 115.A OE1 no hydrogen 3.114 N/A ARG 84.A NH1.A GLU 115.A OE2 no hydrogen 3.349 N/A ARG 84.A NH1.B GLU 115.A OE2 no hydrogen 3.251 N/A ARG 84.A NH2.A GLU 115.A OE1 no hydrogen 3.455 N/A ARG 84.A NH2.B GLU 626.A OE1 no hydrogen 3.291 N/A THR 85.A N GLU 117.A OE1 no hydrogen 3.294 N/A THR 85.A N GLU 117.A OE2 no hydrogen 2.776 N/A LEU 86.A N GLU 117.A OE1 no hydrogen 3.006 N/A GLN 87.A NE2 GLU 96.A OE1 no hydrogen 2.807 N/A GLN 87.A NE2 LEU 466.A O no hydrogen 3.129 N/A THR 89.A N THR 85.A O no hydrogen 2.958 N/A THR 89.A OG1 THR 85.A O no hydrogen 2.762 N/A MET 90.A N LEU 86.A O no hydrogen 3.141 N/A VAL 91.A N GLN 87.A O no hydrogen 2.848 N/A ASN 92.A N ASN 88.A O no hydrogen 3.028 N/A ASN 92.A ND2 ASN 88.A O no hydrogen 2.778 N/A LEU 93.A N THR 89.A O no hydrogen 3.028 N/A ALA 94.A N VAL 91.A O no hydrogen 3.247 N/A LEU 95.A N MET 90.A O no hydrogen 2.787 N/A ASN 97.A N ARG 7.A O no hydrogen 2.959 N/A CYS 99.A N LEU 95.A O no hydrogen 2.840 N/A CYS 99.A SG LEU 95.A O no hydrogen 3.385 N/A ASP 100.A N GLU 96.A O no hydrogen 2.914 N/A GLU 101.A N ASN 97.A O no hydrogen 2.945 N/A ALA 102.A N ALA 98.A O no hydrogen 2.896 N/A THR 103.A N CYS 99.A O no hydrogen 2.863 N/A THR 103.A OG1 CYS 99.A O no hydrogen 2.798 N/A THR 103.A OG1 ASP 100.A O no hydrogen 3.047 N/A TYR 104.A N ASP 100.A O no hydrogen 2.990 N/A GLN 105.A N GLU 101.A O no hydrogen 2.875 N/A GLN 105.A NE2 GLU 101.A OE1 no hydrogen 2.767 N/A LEU 106.A N ALA 102.A O no hydrogen 3.163 N/A GLY 107.A N TYR 104.A O no hydrogen 2.875 N/A LEU 108.A N THR 103.A O no hydrogen 2.752 N/A GLU 111.A N ASP 109.A OD2 no hydrogen 3.081 N/A LEU 113.A N ASP 109.A O no hydrogen 3.138 N/A GLU 114.A N MET 110.A O no hydrogen 2.834 N/A GLU 115.A N GLU 111.A O no hydrogen 3.384 N/A ILE 116.A N LEU 113.A O no hydrogen 3.067 N/A GLU 117.A N GLU 114.A O no hydrogen 3.278 N/A ALA 120.A N GLY 83.A O no hydrogen 2.964 N/A ASN 124.A N GLU 79.A OE2 no hydrogen 2.783 N/A ASN 124.A ND2 GLU 79.A OE1 no hydrogen 3.087 N/A ASN 124.A ND2 TYR 261.A O no hydrogen 3.006 N/A ARG 129.A N GLY 125.A O no hydrogen 2.958 N/A ARG 129.A NH1 TYR 81.A O no hydrogen 3.078 N/A ARG 129.A NH1 MET 82.A O no hydrogen 3.312 N/A LEU 130.A N GLY 126.A O no hydrogen 2.789 N/A ALA 131.A N LEU 127.A O no hydrogen 3.231 N/A ALA 132.A N GLY 128.A O no hydrogen 3.282 N/A CYS 133.A N ARG 129.A O no hydrogen 2.864 N/A CYS 133.A SG ARG 129.A O no hydrogen 3.661 N/A PHE 134.A N LEU 130.A O no hydrogen 2.795 N/A LEU 135.A N ALA 131.A O no hydrogen 2.932 N/A ASP 136.A N ALA 132.A O no hydrogen 3.239 N/A SER 137.A N CYS 133.A O no hydrogen 2.963 N/A SER 137.A OG CYS 133.A O no hydrogen 3.556 N/A SER 137.A OG SER 784.A OG no hydrogen 2.617 N/A SER 137.A OG ASP 785.A OD2 no hydrogen 2.673 N/A MET 138.A N PHE 134.A O no hydrogen 2.877 N/A ALA 139.A N LEU 135.A O no hydrogen 3.162 N/A THR 140.A N ASP 136.A O no hydrogen 3.026 N/A THR 140.A OG1 ASP 136.A O no hydrogen 3.178 N/A LEU 141.A N SER 137.A O no hydrogen 2.790 N/A GLY 142.A N ALA 139.A O no hydrogen 3.164 N/A LEU 143.A N MET 138.A O no hydrogen 2.922 N/A ALA 145.A N LEU 143.A O no hydrogen 2.782 N/A TYR 146.A N ILE 73.A O no hydrogen 2.746 N/A GLY 147.A N THR 231.A O no hydrogen 3.229 N/A TYR 148.A N TYR 75.A O no hydrogen 2.959 N/A TYR 148.A OH ASP 287.A OD2 no hydrogen 2.615 N/A GLY 149.A N ARG 233.A O no hydrogen 3.065 N/A ARG 151.A N TRP 235.A O no hydrogen 2.870 N/A ARG 151.A NE GLU 181.A OE2 no hydrogen 2.848 N/A ARG 151.A NH2 GLU 181.A OE1 no hydrogen 2.793 N/A TYR 152.A OH LEU 78.A O no hydrogen 2.644 N/A GLU 153.A N SER 257.A O no hydrogen 3.047 N/A PHE 154.A N ARG 258.A O no hydrogen 2.847 N/A GLY 155.A N ASP 171.A OD1 no hydrogen 3.219 N/A ILE 156.A N GLY 121.A O no hydrogen 2.938 N/A ASN 158.A N GLU 169.A O no hydrogen 2.852 N/A GLN 159.A N ASN 619.A OD1 no hydrogen 2.987 N/A GLN 159.A NE2 GLN 166.A OE1 no hydrogen 2.816 N/A GLN 159.A NE2 GLY 579.A O no hydrogen 3.118 N/A LYS 160.A N MET 167.A O no hydrogen 2.853 N/A ILE 161.A N GLU 618.A OE1 no hydrogen 3.257 N/A CYS 162.A N TRP 165.A O no hydrogen 2.847 N/A TRP 165.A N CYS 162.A O no hydrogen 3.099 N/A GLN 166.A NE2 GLU 168.A OE1 no hydrogen 2.822 N/A GLN 166.A NE2 ALA 581.A O no hydrogen 2.889 N/A MET 167.A N LYS 160.A O no hydrogen 2.636 N/A GLU 169.A N ASN 158.A O no hydrogen 2.958 N/A TRP 173.A NE1 TYR 152.A O no hydrogen 2.884 N/A ARG 175.A N ASP 172.A O no hydrogen 3.093 N/A GLY 177.A N LEU 174.A O no hydrogen 2.959 N/A TRP 180.A N ASN 178.A OD1 no hydrogen 2.943 N/A TRP 180.A NE1 GLU 117.A OE2 no hydrogen 3.043 N/A GLU 181.A N ASN 178.A OD1 no hydrogen 3.467 N/A LYS 182.A N ASP 218.A O no hydrogen 2.680 N/A LYS 182.A NZ ALA 183.A O no hydrogen 2.719 N/A ARG 184.A N PRO 216.A O no hydrogen 2.840 N/A GLU 186.A N GLU 186.A OE2 no hydrogen 2.773 N/A PHE 187.A N ARG 184.A O no hydrogen 3.018 N/A THR 188.A N PRO 185.A O no hydrogen 3.300 N/A THR 188.A OG1 PRO 185.A O no hydrogen 2.654 N/A LEU 189.A N ALA 214.A O no hydrogen 2.980 N/A VAL 191.A N VAL 212.A O no hydrogen 2.779 N/A HIS 192.A ND1 THR 209.A OG1 no hydrogen 2.756 N/A PHE 193.A N GLN 210.A O no hydrogen 2.755 N/A TYR 194.A N LEU 367.A O no hydrogen 2.757 N/A TYR 194.A OH GLU 271.A OE1 no hydrogen 2.907 N/A ARG 196.A N VAL 207.A O no hydrogen 2.956 N/A ARG 196.A NE ASP 208.A OD1 no hydrogen 2.911 N/A ARG 196.A NH2 GLU 198.A OE2 no hydrogen 2.443 N/A GLU 198.A N LYS 205.A O no hydrogen 2.735 N/A THR 200.A N GLY 203.A O no hydrogen 2.709 N/A THR 200.A OG1 GLY 203.A O no hydrogen 3.112 N/A LYS 205.A N GLU 198.A O no hydrogen 2.653 N/A TRP 206.A NE1 TYR 194.A O no hydrogen 2.721 N/A VAL 207.A N ARG 196.A O no hydrogen 2.862 N/A THR 209.A OG1 HIS 192.A ND1 no hydrogen 2.756 N/A GLN 210.A N PHE 193.A O no hydrogen 2.810 N/A VAL 212.A N VAL 191.A O no hydrogen 2.773 N/A LEU 213.A N LYS 238.A O no hydrogen 2.807 N/A ALA 214.A N LEU 189.A O no hydrogen 2.678 N/A MET 215.A N SER 236.A O no hydrogen 2.807 N/A TYR 217.A N LEU 234.A O no hydrogen 2.838 N/A ASP 218.A N LYS 182.A O no hydrogen 2.843 N/A THR 219.A N MET 232.A O no hydrogen 2.799 N/A VAL 221.A N ASN 230.A O no hydrogen 2.792 N/A GLY 223.A N VAL 228.A O no hydrogen 2.903 N/A TYR 224.A N THR 140.A OG1 no hydrogen 2.844 N/A ARG 225.A N ASN 92.A O no hydrogen 2.891 N/A ARG 225.A NE VAL 91.A O no hydrogen 2.940 N/A ARG 225.A NH2 VAL 6.A O no hydrogen 3.080 N/A ARG 225.A NH2 VAL 91.A O no hydrogen 3.065 N/A ASN 227.A ND2 LEU 805.A O no hydrogen 2.440 N/A VAL 229.A N THR 61.A OG1 no hydrogen 3.053 N/A ASN 230.A N VAL 221.A O no hydrogen 2.900 N/A ASN 230.A ND2 LEU 143.A O no hydrogen 2.896 N/A MET 232.A N THR 219.A O no hydrogen 2.826 N/A ARG 233.A N GLY 147.A O no hydrogen 2.715 N/A ARG 233.A NE ASP 218.A OD2 no hydrogen 2.660 N/A ARG 233.A NH1 ASP 287.A OD2 no hydrogen 2.684 N/A ARG 233.A NH2 ASP 218.A OD1 no hydrogen 2.890 N/A ARG 233.A NH2 ASP 218.A OD2 no hydrogen 3.470 N/A LEU 234.A N TYR 217.A O no hydrogen 2.959 N/A TRP 235.A N GLY 149.A O no hydrogen 2.981 N/A TRP 235.A NE1 THR 284.A OG1 no hydrogen 3.111 N/A SER 236.A N MET 215.A O no hydrogen 2.707 N/A ALA 237.A N SER 257.A OG no hydrogen 2.867 N/A LYS 238.A N LEU 213.A O no hydrogen 2.888 N/A LYS 238.A NZ ALA 237.A O no hydrogen 3.039 N/A ALA 239.A N GLU 254.A OE2 no hydrogen 2.951 N/A ALA 246.A N GLY 242.A O no hydrogen 2.956 N/A VAL 247.A N TYR 243.A O no hydrogen 3.143 N/A LEU 248.A N ILE 244.A O no hydrogen 2.913 N/A ASP 249.A N GLN 245.A O no hydrogen 2.710 N/A ARG 250.A N VAL 247.A O no hydrogen 3.279 N/A ASN 251.A N LEU 248.A O no hydrogen 3.029 N/A LEU 252.A N ASP 249.A O no hydrogen 3.140 N/A GLU 254.A N ARG 250.A O no hydrogen 3.313 N/A ASN 255.A N ASN 251.A O no hydrogen 2.796 N/A ASN 255.A N LEU 252.A O no hydrogen 3.278 N/A ILE 256.A N ALA 253.A O no hydrogen 3.281 N/A ARG 258.A N ASN 255.A O no hydrogen 2.980 N/A ARG 258.A NE ASN 255.A OD1 no hydrogen 2.953 N/A ARG 258.A NH1 GLU 153.A OE1 no hydrogen 2.935 N/A ARG 258.A NH2 ASN 251.A O no hydrogen 3.400 N/A ARG 258.A NH2 ASN 255.A OD1 no hydrogen 2.936 N/A LEU 260.A N PHE 154.A O no hydrogen 3.040 N/A ASN 263.A ND2 ASN 265.A O no hydrogen 3.576 N/A ASN 263.A ND2 PHE 266.A O no hydrogen 3.549 N/A ASN 265.A ND2 GLU 354.A OE2 no hydrogen 3.070 N/A PHE 267.A N GLU 354.A O no hydrogen 2.686 N/A LYS 270.A N GLU 268.A O no hydrogen 2.664 N/A LYS 270.A NZ GLU 268.A OE2 no hydrogen 3.202 N/A ARG 273.A NE GLU 277.A OE1 no hydrogen 3.022 N/A LEU 274.A N LYS 270.A O no hydrogen 3.144 N/A LYS 275.A N GLU 271.A O no hydrogen 2.875 N/A LYS 275.A NZ TYR 194.A OH no hydrogen 2.811 N/A LYS 275.A NZ GLU 271.A OE2 no hydrogen 3.541 N/A GLN 276.A N LEU 272.A O no hydrogen 2.949 N/A GLN 276.A NE2 ILE 256.A O no hydrogen 2.904 N/A GLN 276.A NE2 VAL 259.A O no hydrogen 3.044 N/A GLU 277.A N ARG 273.A O no hydrogen 2.971 N/A TYR 278.A N LEU 274.A O no hydrogen 2.991 N/A TYR 278.A OH GLU 320.A OE2 no hydrogen 2.704 N/A PHE 279.A N LYS 275.A O no hydrogen 2.769 N/A VAL 280.A N GLN 276.A O no hydrogen 3.116 N/A VAL 281.A N GLU 277.A O no hydrogen 3.204 N/A ALA 282.A N TYR 278.A O no hydrogen 2.730 N/A ALA 283.A N PHE 279.A O no hydrogen 3.208 N/A THR 284.A N VAL 280.A O no hydrogen 2.995 N/A THR 284.A OG1 VAL 280.A O no hydrogen 2.616 N/A LEU 285.A N VAL 281.A O no hydrogen 2.986 N/A GLN 286.A N ALA 282.A O no hydrogen 3.210 N/A GLN 286.A NE2 PRO 190.A O no hydrogen 2.857 N/A GLN 286.A NE2 ALA 282.A O no hydrogen 3.421 N/A ASP 287.A N ALA 283.A O no hydrogen 3.227 N/A ILE 288.A N THR 284.A O no hydrogen 2.949 N/A ILE 289.A N LEU 285.A O no hydrogen 2.931 N/A ARG 290.A N GLN 286.A O no hydrogen 2.941 N/A ARG 290.A NH2 ASP 287.A OD1 no hydrogen 2.909 N/A ARG 291.A N ASP 287.A O no hydrogen 2.961 N/A ARG 291.A NH1 TYR 74.A OH no hydrogen 3.294 N/A ARG 291.A NH1 TYR 148.A OH no hydrogen 2.901 N/A ARG 291.A NH2 TYR 148.A OH no hydrogen 3.125 N/A PHE 292.A N ILE 288.A O no hydrogen 2.990 N/A LYS 293.A N ILE 289.A O no hydrogen 3.002 N/A LYS 293.A NZ GLU 329.A OE1 no hydrogen 3.340 N/A LYS 293.A NZ GLU 329.A OE2 no hydrogen 2.668 N/A SER 294.A N ARG 290.A O no hydrogen 3.016 N/A SER 294.A OG ARG 290.A O no hydrogen 3.263 N/A SER 295.A OG PHE 292.A O no hydrogen 2.638 N/A PHE 301.A N PHE 298.A O no hydrogen 3.211 N/A ASP 303.A N ALA 300.A O no hydrogen 2.983 N/A LYS 304.A N PHE 301.A O no hydrogen 2.978 N/A LYS 304.A NZ ASP 69.A O no hydrogen 3.168 N/A ALA 306.A N ARG 72.A O no hydrogen 2.889 N/A ILE 307.A N THR 343.A O no hydrogen 2.863 N/A GLN 308.A N TYR 74.A O no hydrogen 2.816 N/A GLN 308.A NE2 THR 347.A OG1 no hydrogen 2.952 N/A LEU 309.A N ALA 345.A O no hydrogen 2.825 N/A ASN 310.A N LEU 76.A O no hydrogen 3.099 N/A ASN 310.A ND2 SER 77.A OG no hydrogen 2.834 N/A ASP 311.A N THR 347.A O no hydrogen 2.978 N/A THR 312.A N ASP 311.A OD2.A no hydrogen 2.740 N/A THR 312.A OG1 GLU 357.A OE1 no hydrogen 2.683 N/A SER 315.A N THR 312.A O no hydrogen 2.868 N/A SER 315.A OG THR 312.A O no hydrogen 2.784 N/A ALA 317.A N PRO 314.A O no hydrogen 2.943 N/A ILE 318.A N SER 315.A O no hydrogen 3.068 N/A GLU 320.A N LEU 316.A O no hydrogen 2.869 N/A LEU 321.A N ALA 317.A O no hydrogen 2.892 N/A MET 322.A N ILE 318.A O no hydrogen 3.177 N/A ARG 323.A N PRO 319.A O no hydrogen 2.838 N/A ARG 323.A NE GLU 320.A OE2 no hydrogen 2.869 N/A ARG 323.A NH1 GLU 320.A OE1 no hydrogen 2.890 N/A ARG 323.A NH1 GLU 320.A OE2 no hydrogen 3.491 N/A VAL 324.A N GLU 320.A O no hydrogen 2.910 N/A LEU 325.A N LEU 321.A O no hydrogen 2.864 N/A VAL 326.A N MET 322.A O no hydrogen 2.774 N/A ASP 327.A N ARG 323.A O no hydrogen 2.784 N/A LEU 328.A N VAL 324.A O no hydrogen 3.053 N/A GLU 329.A N VAL 324.A O no hydrogen 2.829 N/A LEU 331.A N LEU 325.A O no hydrogen 2.825 N/A LYS 335.A N ASP 332.A OD1 no hydrogen 3.189 N/A LYS 335.A NZ ASP 299.A OD1 no hydrogen 2.754 N/A ALA 336.A N ASP 332.A O no hydrogen 3.095 N/A TRP 337.A N TRP 333.A O no hydrogen 2.908 N/A GLU 338.A N ASP 334.A O no hydrogen 3.034 N/A VAL 339.A N LYS 335.A O no hydrogen 2.953 N/A THR 340.A N ALA 336.A O no hydrogen 2.841 N/A THR 340.A OG1 ALA 336.A O no hydrogen 2.871 N/A VAL 341.A N TRP 337.A O no hydrogen 3.020 N/A LYS 342.A N GLU 338.A O no hydrogen 3.245 N/A THR 343.A N VAL 339.A O no hydrogen 2.946 N/A THR 343.A N THR 340.A O no hydrogen 3.116 N/A THR 343.A OG1 VAL 339.A O no hydrogen 2.706 N/A CYS 344.A N THR 340.A O no hydrogen 2.919 N/A CYS 344.A SG THR 340.A O no hydrogen 3.483 N/A ALA 345.A N ILE 307.A O no hydrogen 2.946 N/A TYR 346.A N ALA 423.A O no hydrogen 2.890 N/A THR 347.A N LEU 309.A O no hydrogen 3.008 N/A THR 347.A OG1 ASN 425.A OD1 no hydrogen 2.719 N/A THR 347.A OG1 TYR 791.A OH no hydrogen 3.356 N/A ASN 348.A N ASN 425.A O no hydrogen 2.937 N/A ASN 348.A ND2 TYR 346.A OH no hydrogen 3.078 N/A ASN 348.A ND2 THR 350.A O no hydrogen 3.681 N/A THR 350.A N ASN 348.A OD1 no hydrogen 3.222 N/A LEU 352.A N THR 350.A OG1 no hydrogen 3.157 N/A GLU 354.A N GLU 354.A OE1 no hydrogen 2.833 N/A ALA 355.A N LEU 352.A O no hydrogen 3.080 N/A LEU 356.A N PRO 353.A O no hydrogen 3.180 N/A TRP 359.A N ILE 411.A O no hydrogen 3.137 N/A VAL 361.A N LYS 409.A O no hydrogen 2.848 N/A LEU 363.A N PRO 360.A O no hydrogen 3.120 N/A LEU 364.A N PRO 360.A O no hydrogen 3.282 N/A GLU 365.A N VAL 361.A O no hydrogen 2.803 N/A THR 366.A N HIS 362.A O no hydrogen 3.086 N/A THR 366.A OG1 HIS 362.A O no hydrogen 3.090 N/A LEU 367.A N LEU 363.A O no hydrogen 2.912 N/A LEU 368.A N LEU 364.A O no hydrogen 2.712 N/A ARG 370.A NE ASP 327.A OD1 no hydrogen 2.656 N/A ARG 370.A NH1 GLN 373.A OE1 no hydrogen 2.926 N/A ARG 370.A NH2 ASP 327.A OD2 no hydrogen 2.831 N/A HIS 371.A NE2 GLU 320.A OE2 no hydrogen 2.653 N/A LEU 372.A N LEU 368.A O no hydrogen 3.054 N/A GLN 373.A N PRO 369.A O no hydrogen 3.167 N/A GLN 373.A NE2 HIS 199.A NE2 no hydrogen 3.083 N/A ILE 374.A N ARG 370.A O no hydrogen 3.043 N/A ILE 375.A N HIS 371.A O no hydrogen 2.827 N/A TYR 376.A N LEU 372.A O no hydrogen 2.970 N/A GLU 377.A N GLN 373.A O no hydrogen 3.141 N/A ILE 378.A N ILE 374.A O no hydrogen 2.829 N/A ASN 379.A N ILE 375.A O no hydrogen 2.855 N/A ASN 379.A ND2 SER 401.A OG no hydrogen 3.157 N/A GLN 380.A N TYR 376.A O no hydrogen 2.980 N/A ARG 381.A N GLU 377.A O no hydrogen 3.129 N/A ARG 381.A NE GLU 377.A OE2 no hydrogen 2.973 N/A ARG 381.A NH1 ASP 334.A OD2 no hydrogen 2.665 N/A PHE 382.A N ILE 378.A O no hydrogen 2.878 N/A LEU 383.A N ASN 379.A O no hydrogen 2.861 N/A ASN 384.A N GLN 380.A O no hydrogen 3.020 N/A ARG 385.A N ARG 381.A O no hydrogen 3.172 N/A ARG 385.A NH1 GLU 447.A OE1 no hydrogen 3.079 N/A ARG 385.A NH2 GLU 447.A OE1 no hydrogen 2.840 N/A VAL 386.A N PHE 382.A O no hydrogen 3.041 N/A ALA 387.A N LEU 383.A O no hydrogen 2.802 N/A ALA 388.A N ASN 384.A O no hydrogen 2.928 N/A ALA 389.A N ARG 385.A O no hydrogen 2.973 N/A PHE 390.A N VAL 386.A O no hydrogen 2.788 N/A ASP 393.A N PHE 390.A O no hydrogen 3.102 N/A ARG 396.A N ASP 393.A OD2 no hydrogen 3.268 N/A ARG 396.A NE ASP 393.A OD1 no hydrogen 2.960 N/A ARG 396.A NH1 GLU 445.A OE2 no hydrogen 2.857 N/A ARG 396.A NH2 GLU 445.A OE2 no hydrogen 2.704 N/A LEU 397.A N ASP 393.A O no hydrogen 3.354 N/A ARG 398.A N VAL 394.A O no hydrogen 3.091 N/A ARG 398.A NE ASP 395.A OD2 no hydrogen 2.704 N/A ARG 398.A NH1 ASP 395.A OD2 no hydrogen 2.974 N/A ARG 399.A N ASP 395.A O no hydrogen 2.757 N/A ARG 399.A NE ASP 442.A OD1 no hydrogen 2.630 N/A ARG 399.A NH1 ASP 395.A OD1 no hydrogen 2.705 N/A ARG 399.A NH2 ASP 442.A OD1 no hydrogen 3.408 N/A ARG 399.A NH2 ASP 442.A OD2 no hydrogen 2.857 N/A MET 400.A N ARG 396.A O no hydrogen 2.815 N/A SER 401.A N LEU 397.A O no hydrogen 3.022 N/A SER 401.A OG ASN 379.A OD1 no hydrogen 3.524 N/A SER 401.A OG VAL 403.A O no hydrogen 3.183 N/A LEU 402.A N ASN 379.A OD1 no hydrogen 2.776 N/A VAL 403.A N SER 401.A OG no hydrogen 3.004 N/A GLU 404.A N ARG 410.A O no hydrogen 2.721 N/A ARG 410.A N GLU 404.A O no hydrogen 3.000 N/A ARG 410.A NH1 ARG 358.A O no hydrogen 2.951 N/A ILE 411.A N TRP 359.A O no hydrogen 2.807 N/A ASN 412.A N LEU 402.A O no hydrogen 2.734 N/A ASN 412.A ND2 GLU 404.A OE2 no hydrogen 2.890 N/A MET 413.A N GLU 357.A O no hydrogen 3.112 N/A HIS 415.A N ASN 412.A OD1 no hydrogen 3.047 N/A HIS 415.A ND1 SER 401.A O no hydrogen 2.798 N/A LEU 416.A N ASN 412.A O no hydrogen 3.135 N/A CYS 417.A N MET 413.A O no hydrogen 2.902 N/A CYS 417.A SG MET 413.A O no hydrogen 3.384 N/A ILE 418.A N ALA 414.A O no hydrogen 3.021 N/A ALA 419.A N HIS 415.A O no hydrogen 3.084 N/A GLY 420.A N LEU 416.A O no hydrogen 2.939 N/A SER 421.A N ILE 418.A O no hydrogen 3.399 N/A SER 421.A OG CYS 417.A O no hydrogen 2.694 N/A HIS 422.A N CYS 344.A O no hydrogen 2.995 N/A HIS 422.A ND1 VAL 341.A O no hydrogen 3.135 N/A HIS 422.A NE2 ILE 795.A O no hydrogen 3.133 N/A VAL 424.A N LYS 450.A O no hydrogen 2.873 N/A ASN 425.A N TYR 346.A O no hydrogen 2.997 N/A ASN 425.A ND2 GLY 426.A O no hydrogen 2.922 N/A ASN 425.A ND2 TYR 791.A OH no hydrogen 2.954 N/A GLY 426.A N GLN 452.A O no hydrogen 3.263 N/A ARG 429.A N GLU 669.A OE2 no hydrogen 2.769 N/A ARG 429.A NH1 GLU 672.A OE1 no hydrogen 2.763 N/A ARG 429.A NH2 GLU 672.A OE1 no hydrogen 2.754 N/A HIS 431.A NE2 ASN 348.A O no hydrogen 3.290 N/A SER 432.A N ALA 428.A O no hydrogen 2.848 N/A SER 432.A OG ALA 428.A O no hydrogen 3.245 N/A SER 432.A OG GLN 452.A O no hydrogen 3.500 N/A GLU 433.A N ARG 429.A O no hydrogen 3.004 N/A ILE 434.A N ILE 430.A O no hydrogen 3.085 N/A LEU 435.A N HIS 431.A O no hydrogen 3.031 N/A LYS 436.A N SER 432.A O no hydrogen 3.393 N/A LYS 436.A NZ GLU 433.A OE2 no hydrogen 2.904 N/A LYS 437.A N GLU 433.A O no hydrogen 2.899 N/A THR 438.A N ILE 434.A O no hydrogen 2.817 N/A THR 438.A OG1 ILE 434.A O no hydrogen 3.173 N/A ILE 439.A N ILE 434.A O no hydrogen 3.285 N/A PHE 440.A N LEU 435.A O no hydrogen 2.748 N/A LYS 441.A N THR 438.A O no hydrogen 3.285 N/A TYR 444.A N PHE 440.A O no hydrogen 2.836 N/A GLU 445.A N LYS 441.A O no hydrogen 2.960 N/A LEU 446.A N ASP 442.A O no hydrogen 3.193 N/A GLU 447.A N PHE 443.A O no hydrogen 2.935 N/A LYS 450.A N GLU 447.A O no hydrogen 3.154 N/A LYS 450.A NZ ILE 418.A O no hydrogen 2.873 N/A LYS 450.A NZ SER 421.A O no hydrogen 2.893 N/A LYS 450.A NZ GLU 447.A OE1 no hydrogen 3.398 N/A LYS 450.A NZ GLU 447.A OE2 no hydrogen 2.879 N/A PHE 451.A N PRO 448.A O no hydrogen 3.219 N/A GLN 452.A N VAL 424.A O no hydrogen 2.715 N/A GLN 452.A NE2 GLU 794.A O no hydrogen 3.119 N/A ASN 453.A ND2 SER 432.A OG no hydrogen 2.627 N/A LYS 454.A N GLY 426.A O no hydrogen 3.102 N/A LYS 454.A NZ GLN 452.A OE1 no hydrogen 2.727 N/A LYS 454.A NZ ASN 453.A O no hydrogen 2.834 N/A LYS 454.A NZ GLU 794.A OE2 no hydrogen 2.604 N/A THR 455.A OG1 ASN 453.A OD1 no hydrogen 3.014 N/A THR 455.A OG1 GLU 669.A OE1 no hydrogen 2.620 N/A THR 455.A OG1 GLU 669.A OE2 no hydrogen 3.317 N/A ASN 456.A N VAL 427.A O no hydrogen 2.828 N/A ILE 458.A N PHE 782.A O no hydrogen 2.819 N/A THR 459.A OG1 ASP 136.A OD1 no hydrogen 2.493 N/A ARG 461.A N THR 459.A OG1 no hydrogen 3.288 N/A ARG 461.A NE ASP 136.A OD1 no hydrogen 3.278 N/A ARG 461.A NH1 ASP 136.A OD1 no hydrogen 2.985 N/A ARG 461.A NH1 ASP 785.A OD1 no hydrogen 3.520 N/A ARG 461.A NH1 ASP 785.A OD2 no hydrogen 2.721 N/A ARG 461.A NH2 ILE 484.A O no hydrogen 2.791 N/A ARG 461.A NH2 ASP 785.A OD1 no hydrogen 2.816 N/A ARG 462.A NH1 ARG 84.A O no hydrogen 3.111 N/A ARG 462.A NH1 GLU 626.A OE2 no hydrogen 2.827 N/A ARG 462.A NH2 ARG 84.A O no hydrogen 2.738 N/A TRP 463.A N THR 459.A O no hydrogen 2.897 N/A LEU 464.A N ARG 461.A O no hydrogen 3.431 N/A VAL 465.A N PRO 460.A O no hydrogen 3.087 N/A LEU 466.A N ARG 461.A O no hydrogen 2.927 N/A CYS 467.A N ARG 462.A O no hydrogen 3.363 N/A CYS 467.A SG ARG 462.A O no hydrogen 3.404 N/A CYS 467.A SG ASN 655.A OD1 no hydrogen 3.842 N/A ASN 468.A N LEU 464.A O no hydrogen 2.865 N/A ASN 468.A ND2 ASN 655.A OD1 no hydrogen 2.878 N/A LEU 471.A N ASN 468.A OD1 no hydrogen 3.363 N/A ALA 472.A N ASN 468.A O no hydrogen 2.986 N/A GLU 473.A N PRO 469.A O no hydrogen 2.768 N/A ILE 474.A N GLY 470.A O no hydrogen 3.287 N/A ILE 475.A N LEU 471.A O no hydrogen 3.147 N/A ALA 476.A N ALA 472.A O no hydrogen 2.995 N/A GLU 477.A N GLU 473.A O no hydrogen 2.859 N/A ARG 478.A N ILE 475.A O no hydrogen 2.975 N/A ARG 478.A NH2 ASP 505.A OD1 no hydrogen 2.887 N/A ILE 479.A N ILE 475.A O no hydrogen 2.963 N/A GLY 480.A N ALA 476.A O no hydrogen 2.853 N/A TYR 483.A OH ALA 472.A O no hydrogen 2.717 N/A ILE 484.A N GLU 481.A O no hydrogen 3.093 N/A SER 485.A N GLU 482.A O no hydrogen 3.282 N/A ASP 486.A N TYR 483.A O no hydrogen 2.951 N/A GLN 489.A N ASP 486.A O no hydrogen 3.016 N/A GLN 489.A NE2 GLU 482.A OE1 no hydrogen 2.854 N/A GLN 489.A NE2 ASP 486.A OD1 no hydrogen 2.884 N/A LEU 490.A N LEU 487.A O no hydrogen 2.932 N/A ARG 491.A N ASP 488.A O no hydrogen 3.166 N/A ARG 491.A NH1 GLU 673.A O no hydrogen 3.318 N/A ARG 491.A NH1 GLU 673.A OE1 no hydrogen 3.057 N/A LYS 492.A N GLN 489.A O no hydrogen 3.037 N/A LYS 492.A NZ GLN 489.A OE1 no hydrogen 2.792 N/A LEU 493.A N LEU 490.A O no hydrogen 2.893 N/A LEU 494.A N ARG 491.A O no hydrogen 3.092 N/A SER 495.A N LYS 492.A O no hydrogen 3.158 N/A SER 495.A OG LYS 492.A O no hydrogen 3.413 N/A TYR 496.A N LEU 493.A O no hydrogen 2.901 N/A VAL 497.A N LEU 494.A O no hydrogen 3.415 N/A ASP 499.A N TYR 496.A O no hydrogen 3.023 N/A PHE 502.A N ASP 499.A OD2 no hydrogen 2.954 N/A ILE 503.A N ASP 499.A O no hydrogen 2.934 N/A ARG 504.A N GLU 500.A O no hydrogen 3.040 N/A ARG 504.A NE ASP 505.A OD2 no hydrogen 2.919 N/A ARG 504.A NH2 ASP 505.A OD1 no hydrogen 3.418 N/A ARG 504.A NH2 ASP 505.A OD2 no hydrogen 3.018 N/A ASP 505.A N ALA 501.A O no hydrogen 2.902 N/A VAL 506.A N PHE 502.A O no hydrogen 2.819 N/A ALA 507.A N ILE 503.A O no hydrogen 3.243 N/A LYS 508.A N ARG 504.A O no hydrogen 2.862 N/A LYS 508.A NZ GLU 512.A OE1 no hydrogen 3.035 N/A VAL 509.A N ASP 505.A O no hydrogen 2.910 N/A LYS 510.A N VAL 506.A O no hydrogen 3.138 N/A LYS 510.A NZ PRO 630.A O no hydrogen 2.760 N/A LYS 510.A NZ ALA 632.A O no hydrogen 2.711 N/A LYS 510.A NZ ASN 655.A O no hydrogen 2.867 N/A GLN 511.A N ALA 507.A O no hydrogen 3.063 N/A GLU 512.A N LYS 508.A O no hydrogen 2.960 N/A ASN 513.A N VAL 509.A O no hydrogen 2.953 N/A ASN 513.A ND2 ASN 468.A OD1 no hydrogen 2.960 N/A ASN 513.A ND2 PRO 630.A O no hydrogen 3.048 N/A LYS 514.A N LYS 510.A O no hydrogen 2.922 N/A LYS 514.A NZ SER 533.A O no hydrogen 2.848 N/A LYS 514.A NZ ASP 633.A OD2 no hydrogen 2.752 N/A LEU 515.A N GLN 511.A O no hydrogen 2.935 N/A LYS 516.A N GLU 512.A O no hydrogen 3.003 N/A LYS 516.A NZ GLU 111.A OE2 no hydrogen 3.362 N/A PHE 517.A N ASN 513.A O no hydrogen 2.982 N/A ALA 518.A N LYS 514.A O no hydrogen 2.960 N/A ALA 519.A N LEU 515.A O no hydrogen 2.918 N/A TYR 520.A N LYS 516.A O no hydrogen 2.923 N/A LEU 521.A N PHE 517.A O no hydrogen 3.019 N/A GLU 522.A N ALA 518.A O no hydrogen 3.065 N/A ARG 523.A N ALA 519.A O no hydrogen 2.985 N/A ARG 523.A NE GLU 524.A OE1 no hydrogen 3.075 N/A GLU 524.A N TYR 520.A O no hydrogen 2.918 N/A TYR 525.A N LEU 521.A O no hydrogen 2.961 N/A LYS 526.A N GLU 522.A O no hydrogen 3.054 N/A LYS 526.A NZ GLU 522.A O no hydrogen 3.380 N/A VAL 527.A N LEU 521.A O no hydrogen 3.245 N/A ASN 530.A ND2 ASP 610.A O no hydrogen 3.411 N/A ASN 532.A N ASN 530.A OD1 no hydrogen 2.945 N/A SER 533.A OG ASN 530.A O no hydrogen 2.508 N/A SER 533.A OG THR 574.A OG1 no hydrogen 2.617 N/A LEU 534.A N PRO 572.A O no hydrogen 2.823 N/A PHE 535.A N ASP 633.A OD2 no hydrogen 2.854 N/A ASP 536.A N THR 574.A O no hydrogen 2.866 N/A VAL 537.A N LEU 634.A O no hydrogen 2.908 N/A GLN 538.A N MET 576.A O no hydrogen 2.858 N/A LYS 540.A N GLY 578.A O no hydrogen 3.146 N/A LYS 540.A NZ GLN 637.A OE1 no hydrogen 2.797 N/A ARG 541.A NE LYS 580.A O no hydrogen 2.892 N/A ARG 541.A NH1 ASN 124.A O no hydrogen 2.935 N/A ARG 541.A NH1 ASN 124.A OD1 no hydrogen 2.961 N/A ARG 541.A NH2 PRO 262.A O no hydrogen 2.725 N/A ILE 542.A N LYS 580.A O no hydrogen 3.019 N/A HIS 543.A NE2 ASP 264.A OD2 no hydrogen 2.693 N/A GLU 544.A N TYR 585.A OH no hydrogen 3.374 N/A TYR 545.A OH GLU 644.A OE1 no hydrogen 2.657 N/A LYS 546.A NZ GLU 644.A OE1 no hydrogen 3.366 N/A LYS 546.A NZ GLU 644.A OE2 no hydrogen 2.730 N/A ARG 547.A N HIS 543.A O no hydrogen 3.295 N/A ARG 547.A N GLU 544.A O no hydrogen 3.076 N/A ARG 547.A NE ILE 638.A O no hydrogen 2.821 N/A ARG 547.A NH1 PHE 742.A O no hydrogen 3.332 N/A ARG 547.A NH1 ASP 747.A OD1 no hydrogen 2.793 N/A ARG 547.A NH2 ILE 638.A O no hydrogen 3.070 N/A ARG 547.A NH2 ASP 747.A OD1 no hydrogen 2.783 N/A GLN 548.A NE2 HIS 543.A O no hydrogen 2.875 N/A LEU 550.A N ARG 547.A O no hydrogen 2.988 N/A ASN 551.A N ARG 547.A O no hydrogen 3.394 N/A CYS 552.A N GLN 548.A O no hydrogen 2.901 N/A CYS 552.A SG GLN 548.A O no hydrogen 3.530 N/A LEU 553.A N LEU 549.A O no hydrogen 2.962 N/A HIS 554.A N LEU 550.A O no hydrogen 3.104 N/A VAL 555.A N ASN 551.A O no hydrogen 2.908 N/A ILE 556.A N CYS 552.A O no hydrogen 3.042 N/A THR 557.A N LEU 553.A O no hydrogen 2.964 N/A THR 557.A OG1 LEU 553.A O no hydrogen 2.704 N/A THR 557.A OG1 TYR 748.A OH no hydrogen 2.586 N/A LEU 558.A N HIS 554.A O no hydrogen 2.861 N/A TYR 559.A N VAL 555.A O no hydrogen 3.040 N/A TYR 559.A OH ASP 605.A OD1 no hydrogen 2.531 N/A ASN 560.A N ILE 556.A O no hydrogen 2.761 N/A ASN 560.A ND2 GLN 715.A OE1 no hydrogen 2.874 N/A ARG 561.A N THR 557.A O no hydrogen 2.893 N/A ARG 561.A NE GLU 708.A OE2 no hydrogen 2.728 N/A ARG 561.A NH1 GLU 756.A OE2 no hydrogen 2.738 N/A ARG 561.A NH2 GLU 708.A OE1 no hydrogen 2.750 N/A ARG 561.A NH2 GLU 708.A OE2 no hydrogen 3.453 N/A ILE 562.A N LEU 558.A O no hydrogen 3.079 N/A LYS 563.A N TYR 559.A O no hydrogen 3.063 N/A LYS 563.A NZ ASP 605.A OD1 no hydrogen 2.848 N/A LYS 564.A N ASN 560.A O no hydrogen 2.975 N/A LYS 564.A NZ GLN 711.A OE1 no hydrogen 2.796 N/A GLU 565.A N ARG 561.A O no hydrogen 3.053 N/A LYS 568.A N GLU 565.A O no hydrogen 3.097 N/A ARG 573.A N ARG 611.A O no hydrogen 3.129 N/A ARG 573.A NH1 ASP 536.A OD1 no hydrogen 2.886 N/A ARG 573.A NH1 GLN 755.A OE1 no hydrogen 2.669 N/A ARG 573.A NH2 GLN 755.A OE1 no hydrogen 3.059 N/A ARG 573.A NH2 SER 759.A OG no hydrogen 2.876 N/A THR 574.A N LEU 534.A O no hydrogen 2.831 N/A THR 574.A OG1 SER 533.A OG no hydrogen 2.617 N/A VAL 575.A N ARG 613.A O no hydrogen 2.792 N/A MET 576.A N ASP 536.A O no hydrogen 2.646 N/A ILE 577.A N ILE 615.A O no hydrogen 3.014 N/A GLY 578.A N GLN 538.A O no hydrogen 3.065 N/A LYS 580.A NZ PHE 157.A O no hydrogen 2.643 N/A LYS 580.A NZ ASN 619.A OD1 no hydrogen 3.066 N/A ALA 581.A N GLN 166.A OE1 no hydrogen 2.981 N/A TYR 585.A N ALA 582.A O no hydrogen 2.983 N/A TYR 585.A OH GLU 544.A OE2 no hydrogen 2.759 N/A LYS 589.A N TYR 585.A O no hydrogen 3.192 N/A LYS 589.A NZ GLU 168.A OE1 no hydrogen 2.804 N/A LYS 589.A NZ PRO 583.A O no hydrogen 3.105 N/A MET 590.A N HIS 586.A O no hydrogen 2.914 N/A ILE 591.A N MET 587.A O no hydrogen 2.809 N/A ILE 592.A N ALA 588.A O no hydrogen 3.216 N/A LYS 593.A N LYS 589.A O no hydrogen 3.260 N/A LYS 593.A NZ GLY 163.A O no hydrogen 2.724 N/A LEU 594.A N MET 590.A O no hydrogen 2.916 N/A ILE 595.A N ILE 591.A O no hydrogen 3.016 N/A THR 596.A N ILE 592.A O no hydrogen 3.127 N/A THR 596.A OG1 GLY 164.A O no hydrogen 2.881 N/A THR 596.A OG1 ILE 592.A O no hydrogen 3.506 N/A THR 596.A OG1 LYS 593.A O no hydrogen 2.891 N/A ALA 597.A N LYS 593.A O no hydrogen 2.873 N/A ILE 598.A N LEU 594.A O no hydrogen 2.795 N/A GLY 599.A N ILE 595.A O no hydrogen 3.038 N/A ASP 600.A N THR 596.A O no hydrogen 2.866 N/A VAL 601.A N ALA 597.A O no hydrogen 3.399 N/A VAL 601.A N ILE 598.A O no hydrogen 3.226 N/A VAL 602.A N ILE 598.A O no hydrogen 2.918 N/A ASN 603.A N GLY 599.A O no hydrogen 2.816 N/A ASN 603.A ND2 VAL 614.A O no hydrogen 2.813 N/A HIS 604.A N VAL 601.A O no hydrogen 3.286 N/A HIS 604.A ND1 ASP 600.A O no hydrogen 2.823 N/A ASP 605.A N VAL 602.A O no hydrogen 3.274 N/A VAL 607.A N ASP 605.A OD2 no hydrogen 3.082 N/A VAL 608.A N ASP 605.A O no hydrogen 2.937 N/A GLY 609.A N ASP 605.A O no hydrogen 3.026 N/A ARG 611.A N VAL 608.A O no hydrogen 3.117 N/A ARG 611.A NH1 PRO 566.A O no hydrogen 2.833 N/A ARG 611.A NH2 PRO 566.A O no hydrogen 3.322 N/A ARG 613.A N ARG 573.A O no hydrogen 3.079 N/A VAL 614.A N ASN 603.A OD1 no hydrogen 2.892 N/A ILE 615.A N VAL 575.A O no hydrogen 2.890 N/A LEU 617.A N ILE 577.A O no hydrogen 2.778 N/A ASN 619.A N GLN 159.A OE1 no hydrogen 2.821 N/A ARG 621.A NH1 ASN 619.A O no hydrogen 2.609 N/A ARG 621.A NH2 TYR 520.A OH no hydrogen 3.510 N/A SER 623.A N ASP 119.A OD1 no hydrogen 2.947 N/A SER 623.A OG ASP 119.A OD1 no hydrogen 3.363 N/A SER 623.A OG ASP 119.A OD2 no hydrogen 2.933 N/A ALA 625.A N ARG 621.A O no hydrogen 2.870 N/A GLU 626.A N VAL 622.A O no hydrogen 3.044 N/A LYS 627.A N LEU 624.A O no hydrogen 2.973 N/A LYS 627.A NZ GLU 115.A OE1 no hydrogen 2.922 N/A LYS 627.A NZ GLU 115.A OE2 no hydrogen 3.410 N/A VAL 628.A N LEU 624.A O no hydrogen 2.863 N/A ILE 629.A N ALA 625.A O no hydrogen 3.052 N/A ALA 631.A N VAL 628.A O no hydrogen 2.944 N/A ALA 632.A N ILE 629.A O no hydrogen 3.110 N/A ASP 633.A N PHE 535.A O no hydrogen 2.941 N/A LEU 634.A N PHE 535.A O no hydrogen 2.943 N/A SER 635.A N LEU 658.A O no hydrogen 2.781 N/A GLU 636.A N VAL 537.A O no hydrogen 3.005 N/A GLN 637.A N ILE 660.A O no hydrogen 2.978 N/A GLN 637.A NE2 SER 635.A OG no hydrogen 2.878 N/A SER 639.A OG ASP 664.A OD1 no hydrogen 2.650 N/A THR 640.A N TYR 545.A O no hydrogen 3.297 N/A THR 640.A OG1 PHE 742.A O no hydrogen 2.563 N/A GLY 642.A N ASP 664.A OD2 no hydrogen 2.736 N/A THR 643.A N THR 640.A O no hydrogen 3.044 N/A THR 643.A OG1 THR 640.A O no hydrogen 2.600 N/A THR 643.A OG1 ASP 664.A OD1 no hydrogen 3.545 N/A GLU 644.A N ASP 664.A OD1 no hydrogen 2.806 N/A SER 646.A OG VAL 427.A O no hydrogen 3.294 N/A SER 646.A OG ASN 456.A OD1 no hydrogen 3.513 N/A SER 646.A OG GLY 647.A O no hydrogen 2.778 N/A ASN 650.A ND2 SER 646.A O no hydrogen 3.131 N/A ASN 650.A ND2 ASN 667.A OD1 no hydrogen 2.913 N/A MET 651.A N ASN 650.A OD1 no hydrogen 2.737 N/A MET 653.A N ASN 650.A O no hydrogen 3.185 N/A LEU 654.A N MET 651.A O no hydrogen 3.034 N/A ASN 655.A N PHE 652.A O no hydrogen 3.204 N/A ASN 655.A ND2 TRP 463.A O no hydrogen 2.771 N/A ALA 657.A N PHE 652.A O no hydrogen 3.112 N/A LEU 658.A N ASP 633.A O no hydrogen 2.854 N/A ILE 660.A N SER 635.A O no hydrogen 2.959 N/A GLY 661.A N PHE 680.A O no hydrogen 2.917 N/A THR 662.A N GLN 637.A O no hydrogen 3.271 N/A THR 662.A OG1 SER 639.A O no hydrogen 2.564 N/A ASP 664.A N THR 662.A O no hydrogen 2.910 N/A ALA 666.A N SER 646.A O no hydrogen 2.882 N/A ASN 667.A N ASP 664.A O no hydrogen 3.002 N/A ASN 667.A ND2 GLN 637.A O no hydrogen 3.214 N/A ASN 667.A ND2 THR 662.A O no hydrogen 3.030 N/A MET 670.A N ALA 666.A O no hydrogen 2.878 N/A ALA 671.A N ASN 667.A O no hydrogen 2.982 N/A GLU 672.A N VAL 668.A O no hydrogen 3.000 N/A GLU 673.A N GLU 669.A O no hydrogen 2.869 N/A ALA 674.A N MET 670.A O no hydrogen 3.082 N/A GLY 675.A N ALA 671.A O no hydrogen 2.771 N/A GLU 677.A N GLU 677.A OE1 no hydrogen 2.770 N/A ASN 678.A N GLY 675.A O no hydrogen 2.839 N/A ASN 678.A ND2 ALA 674.A O no hydrogen 2.815 N/A PHE 679.A N GLU 676.A O no hydrogen 3.126 N/A PHE 680.A N THR 659.A O no hydrogen 2.821 N/A PHE 682.A N GLY 661.A O no hydrogen 3.089 N/A GLY 683.A N GLU 750.A OE1 no hydrogen 2.872 N/A MET 684.A N ASP 747.A OD2 no hydrogen 2.859 N/A ARG 685.A N ASP 688.A OD2 no hydrogen 2.905 N/A ARG 685.A NH1 GLY 683.A O no hydrogen 2.828 N/A ASP 688.A N ARG 685.A O no hydrogen 2.962 N/A VAL 689.A N ARG 685.A O no hydrogen 3.091 N/A ASP 690.A N VAL 686.A O no hydrogen 2.947 N/A ARG 691.A N GLU 687.A O no hydrogen 3.031 N/A LEU 692.A N ASP 688.A O no hydrogen 3.068 N/A ASP 693.A N VAL 689.A O no hydrogen 2.921 N/A GLN 694.A N ASP 690.A O no hydrogen 2.852 N/A ARG 695.A N ARG 691.A O no hydrogen 3.344 N/A GLY 696.A N LEU 692.A O no hydrogen 2.726 N/A GLN 700.A NE2 ASP 704.A OD1 no hydrogen 2.875 N/A GLU 701.A N ASN 698.A O no hydrogen 3.242 N/A TYR 702.A N ALA 699.A O no hydrogen 3.113 N/A TYR 703.A N ALA 699.A O no hydrogen 3.140 N/A TYR 703.A OH GLU 714.A OE2 no hydrogen 2.360 N/A ASP 704.A N GLN 700.A O no hydrogen 2.766 N/A ARG 705.A N TYR 702.A O no hydrogen 3.232 N/A ILE 706.A N TYR 702.A O no hydrogen 3.022 N/A ARG 710.A N ILE 706.A O no hydrogen 2.955 N/A ARG 710.A NH1 TYR 703.A O no hydrogen 2.918 N/A GLN 711.A N PRO 707.A O no hydrogen 2.952 N/A ILE 712.A N GLU 708.A O no hydrogen 3.397 N/A ILE 713.A N LEU 709.A O no hydrogen 2.994 N/A GLU 714.A N ARG 710.A O no hydrogen 3.018 N/A GLN 715.A N GLN 711.A O no hydrogen 2.945 N/A GLN 715.A NE2 ASN 560.A OD1 no hydrogen 2.983 N/A LEU 716.A N ILE 712.A O no hydrogen 2.938 N/A SER 717.A N ILE 713.A O no hydrogen 2.888 N/A SER 717.A OG ILE 713.A O no hydrogen 2.878 N/A SER 718.A N GLU 714.A O no hydrogen 2.930 N/A SER 718.A OG GLU 714.A O no hydrogen 2.635 N/A SER 718.A OG GLN 715.A O no hydrogen 3.464 N/A PHE 720.A N GLN 715.A O no hydrogen 2.872 N/A SER 722.A N GLY 719.A O no hydrogen 2.952 N/A SER 722.A OG GLN 725.A O no hydrogen 2.874 N/A GLN 725.A N SER 722.A O no hydrogen 2.911 N/A LEU 728.A N GLN 725.A O no hydrogen 2.902 N/A LYS 730.A N ASP 727.A O no hydrogen 3.096 N/A VAL 733.A N PHE 729.A O no hydrogen 3.062 N/A ASN 734.A N LYS 730.A O no hydrogen 2.855 N/A MET 735.A N ASP 731.A O no hydrogen 2.991 N/A LEU 736.A N ILE 732.A O no hydrogen 2.939 N/A MET 737.A N VAL 733.A O no hydrogen 2.829 N/A HIS 738.A N ASN 734.A O no hydrogen 2.853 N/A HIS 739.A N MET 735.A O no hydrogen 2.807 N/A ARG 741.A NH1 GLU 354.A OE2 no hydrogen 2.914 N/A ARG 741.A NH2 GLU 354.A OE1 no hydrogen 3.087 N/A ARG 741.A NH2 GLU 354.A OE2 no hydrogen 3.370 N/A PHE 742.A N ASP 740.A OD2 no hydrogen 2.926 N/A LYS 743.A NZ ASP 693.A OD1 no hydrogen 2.721 N/A VAL 744.A N ASP 740.A OD1 no hydrogen 2.790 N/A ALA 746.A N LYS 743.A O no hydrogen 3.152 N/A ASP 747.A N VAL 744.A O no hydrogen 3.199 N/A TYR 748.A N PHE 745.A O no hydrogen 3.219 N/A TYR 748.A OH THR 557.A OG1 no hydrogen 2.586 N/A TYR 751.A N ASP 747.A O no hydrogen 2.923 N/A TYR 751.A OH GLU 636.A OE1 no hydrogen 3.327 N/A TYR 751.A OH GLU 636.A OE2 no hydrogen 2.672 N/A VAL 752.A N TYR 748.A O no hydrogen 2.954 N/A LYS 753.A N GLU 749.A O no hydrogen 3.033 N/A CYS 754.A N GLU 750.A O no hydrogen 2.869 N/A GLN 755.A N TYR 751.A O no hydrogen 2.871 N/A GLN 755.A NE2 GLU 636.A OE1 no hydrogen 2.928 N/A GLN 755.A NE2 TYR 751.A OH no hydrogen 3.206 N/A GLU 756.A N VAL 752.A O no hydrogen 3.087 N/A ARG 757.A N LYS 753.A O no hydrogen 3.259 N/A VAL 758.A N CYS 754.A O no hydrogen 3.092 N/A SER 759.A N GLN 755.A O no hydrogen 3.066 N/A SER 759.A OG GLN 755.A O no hydrogen 3.456 N/A ALA 760.A N GLU 756.A O no hydrogen 2.882 N/A LEU 761.A N ARG 757.A O no hydrogen 3.027 N/A TYR 762.A N VAL 758.A O no hydrogen 3.000 N/A TYR 762.A OH ASP 633.A OD2 no hydrogen 3.429 N/A LYS 763.A N SER 759.A O no hydrogen 3.164 N/A ASN 764.A N LEU 761.A O no hydrogen 2.920 N/A ARG 766.A NH1 GLU 500.A OE2 no hydrogen 2.817 N/A ARG 766.A NH2 GLU 500.A OE1 no hydrogen 2.755 N/A ARG 766.A NH2 GLU 500.A OE2 no hydrogen 3.080 N/A GLU 767.A N ASN 764.A OD1 no hydrogen 3.141 N/A TRP 768.A N ASN 764.A O no hydrogen 2.899 N/A THR 769.A N PRO 765.A O no hydrogen 3.002 N/A THR 769.A OG1 PRO 765.A O no hydrogen 2.958 N/A ARG 770.A N ARG 766.A O no hydrogen 2.920 N/A ARG 770.A NE VAL 497.A O no hydrogen 2.852 N/A ARG 770.A NH1 GLU 767.A OE2 no hydrogen 2.924 N/A ARG 770.A NH2 ASP 498.A OD2 no hydrogen 2.691 N/A MET 771.A N GLU 767.A O no hydrogen 3.038 N/A VAL 772.A N TRP 768.A O no hydrogen 2.946 N/A ILE 773.A N THR 769.A O no hydrogen 2.901 N/A ARG 774.A N ARG 770.A O no hydrogen 3.123 N/A ASN 775.A N MET 771.A O no hydrogen 3.054 N/A ASN 775.A ND2 ASN 678.A O no hydrogen 3.040 N/A ASN 775.A ND2 MET 771.A O no hydrogen 2.913 N/A ILE 776.A N VAL 772.A O no hydrogen 2.853 N/A ALA 777.A N ILE 773.A O no hydrogen 2.926 N/A THR 778.A N ASN 775.A O no hydrogen 3.107 N/A THR 778.A OG1 ARG 774.A O no hydrogen 2.767 N/A THR 778.A OG1 ASN 775.A O no hydrogen 3.284 N/A SER 779.A N ILE 776.A O no hydrogen 3.172 N/A SER 779.A OG ILE 776.A O no hydrogen 2.791 N/A LYS 781.A NZ GLU 669.A OE1 no hydrogen 2.861 N/A PHE 782.A N SER 779.A O no hydrogen 2.928 N/A SER 783.A N GLY 780.A O no hydrogen 3.203 N/A SER 784.A N ILE 458.A O no hydrogen 2.884 N/A SER 784.A OG SER 137.A OG no hydrogen 2.617 N/A ASP 785.A N SER 783.A OG no hydrogen 3.117 N/A ARG 786.A N SER 783.A O no hydrogen 3.072 N/A ARG 786.A NE LYS 781.A O no hydrogen 2.655 N/A ARG 786.A NH1 THR 455.A O no hydrogen 2.828 N/A ARG 786.A NH1 GLN 790.A OE1 no hydrogen 2.872 N/A ARG 786.A NH2 THR 455.A O no hydrogen 3.128 N/A ARG 786.A NH2 ASN 456.A O no hydrogen 3.041 N/A ARG 786.A NH2 LYS 781.A O no hydrogen 2.840 N/A THR 787.A N SER 783.A O no hydrogen 3.435 N/A THR 787.A OG1 THR 455.A O no hydrogen 2.865 N/A ILE 788.A N SER 784.A O no hydrogen 2.812 N/A ALA 789.A N ASP 785.A O no hydrogen 2.872 N/A GLN 790.A N ARG 786.A O no hydrogen 3.075 N/A GLN 790.A NE2 GLU 794.A OE1 no hydrogen 3.217 N/A TYR 791.A N THR 787.A O no hydrogen 3.006 N/A TYR 791.A OH THR 347.A OG1 no hydrogen 3.356 N/A ALA 792.A N ILE 788.A O no hydrogen 2.831 N/A ARG 793.A N ALA 789.A O no hydrogen 3.058 N/A ARG 793.A NE GLU 799.A OE1 no hydrogen 2.999 N/A ARG 793.A NH2 GLU 799.A OE2 no hydrogen 2.837 N/A GLU 794.A N GLN 790.A O no hydrogen 2.819 N/A ILE 795.A N TYR 791.A O no hydrogen 2.977 N/A TRP 796.A N TYR 791.A O no hydrogen 2.898 N/A TRP 796.A NE1 GLN 308.A OE1 no hydrogen 2.830 N/A VAL 798.A N ALA 792.A O no hydrogen 2.830 N/A SER 801.A N LEU 141.A O no hydrogen 2.795 N/A ARG 802.A NE SER 485.A OG no hydrogen 3.112 N/A ARG 802.A NH1 THR 140.A O no hydrogen 2.714 N/A ARG 802.A NH2 TYR 224.A O no hydrogen 3.009 N/A ARG 802.A NH2 SER 485.A OG no hydrogen 3.147 N/A GLN 803.A N SER 801.A OG no hydrogen 3.315 N/A GLN 803.A NE2 ARG 804.A O no hydrogen 3.620 N/A LEU 805.A N ASN 226.A O no hydrogen 2.823 N/A