Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gpb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH2 GLU 531.A O no hydrogen 2.977 N/A ARG 1.A NH2 GLU 531.A OE1 no hydrogen 2.748 N/A LYS 2.A NZ ARG 1.A O no hydrogen 2.741 N/A GLN 3.A NE2 GLU 492.A OE1 no hydrogen 2.913 N/A SER 5.A OG GLU 492.A OE1 no hydrogen 3.240 N/A ARG 7.A NH2 ASP 100.A OD2 no hydrogen 2.987 N/A ASN 14.A N GLY 11.A O no hydrogen 2.771 N/A VAL 15.A N GLY 11.A O no hydrogen 3.286 N/A THR 16.A N VAL 12.A O no hydrogen 3.425 N/A THR 16.A OG1 VAL 12.A O no hydrogen 2.989 N/A GLU 17.A N GLU 13.A O no hydrogen 2.790 N/A LEU 18.A N ASN 14.A O no hydrogen 2.949 N/A LYS 19.A N VAL 15.A O no hydrogen 3.123 N/A LYS 19.A NZ GLN 105.A OE1 no hydrogen 2.523 N/A LYS 20.A N THR 16.A O no hydrogen 3.159 N/A LYS 20.A NZ GLU 17.A OE1 no hydrogen 2.782 N/A LYS 20.A NZ GLU 17.A OE2 no hydrogen 2.735 N/A ASN 21.A N GLU 17.A O no hydrogen 3.125 N/A ASN 21.A ND2 GLU 17.A O no hydrogen 3.033 N/A ASN 21.A ND2 GLU 17.A OE2 no hydrogen 3.364 N/A PHE 22.A N LEU 18.A O no hydrogen 2.864 N/A ASN 23.A N LYS 19.A O no hydrogen 2.970 N/A ASN 23.A ND2 LYS 19.A O no hydrogen 2.807 N/A ARG 24.A N LYS 20.A O no hydrogen 2.930 N/A HIS 25.A N ASN 21.A O no hydrogen 3.157 N/A HIS 25.A ND1 ASN 21.A O no hydrogen 2.943 N/A HIS 25.A ND1 THR 49.A OG1 no hydrogen 3.000 N/A LEU 26.A N PHE 22.A O no hydrogen 3.186 N/A HIS 27.A N ASN 23.A O no hydrogen 3.398 N/A HIS 27.A N ARG 24.A O no hydrogen 2.939 N/A PHE 28.A N ARG 24.A O no hydrogen 2.777 N/A THR 29.A N HIS 25.A O no hydrogen 2.989 N/A LEU 30.A N HIS 25.A O no hydrogen 2.835 N/A LYS 32.A N LEU 26.A O no hydrogen 3.028 N/A LYS 32.A NZ ASP 41.A OD1 no hydrogen 2.996 N/A LYS 32.A NZ ASP 41.A OD2 no hydrogen 2.822 N/A ARG 34.A NH1 ASN 23.A OD1 no hydrogen 2.582 N/A ARG 34.A NH2 LEU 106.A O no hydrogen 3.515 N/A ASN 35.A N ASP 33.A OD2 no hydrogen 3.073 N/A ASN 35.A ND2 ASP 33.A OD2 no hydrogen 3.467 N/A VAL 36.A N ASP 33.A O no hydrogen 2.929 N/A ALA 37.A N ASP 33.A O no hydrogen 2.988 N/A THR 38.A N ASP 41.A OD2 no hydrogen 2.844 N/A THR 38.A OG1 ASP 41.A OD2 no hydrogen 2.911 N/A ASP 41.A N THR 38.A O no hydrogen 2.902 N/A TYR 42.A N THR 38.A O no hydrogen 3.064 N/A TYR 43.A N PRO 39.A O no hydrogen 2.757 N/A PHE 44.A N ARG 40.A O no hydrogen 2.985 N/A ALA 45.A N ASP 41.A O no hydrogen 2.966 N/A LEU 46.A N TYR 42.A O no hydrogen 3.246 N/A ALA 47.A N TYR 43.A O no hydrogen 2.917 N/A HIS 48.A N PHE 44.A O no hydrogen 2.774 N/A THR 49.A N ALA 45.A O no hydrogen 3.056 N/A THR 49.A OG1 HIS 25.A ND1 no hydrogen 3.000 N/A THR 49.A OG1 ALA 45.A O no hydrogen 2.682 N/A VAL 50.A N LEU 46.A O no hydrogen 2.856 N/A ARG 51.A N ALA 47.A O no hydrogen 3.008 N/A ARG 51.A NH1 TRP 180.A O no hydrogen 3.443 N/A ASP 52.A N HIS 48.A O no hydrogen 3.005 N/A HIS 53.A N VAL 50.A O no hydrogen 3.095 N/A LEU 54.A N ARG 51.A O no hydrogen 3.190 N/A VAL 55.A N ARG 51.A O no hydrogen 3.348 N/A ARG 57.A NE HIS 53.A O no hydrogen 2.923 N/A ARG 57.A NH1 ASN 227.A OD1 no hydrogen 3.366 N/A ARG 57.A NH2 HIS 53.A O no hydrogen 2.816 N/A TRP 58.A N LEU 54.A O no hydrogen 3.022 N/A TRP 58.A NE1 THR 231.A OG1 no hydrogen 2.750 N/A ILE 59.A N VAL 55.A O no hydrogen 2.923 N/A ARG 60.A N GLY 56.A O no hydrogen 3.112 N/A ARG 60.A NH1 PRO 828.A O no hydrogen 2.699 N/A ARG 60.A NH1 ASP 829.A O no hydrogen 2.558 N/A THR 61.A N ARG 57.A O no hydrogen 2.726 N/A THR 61.A OG1 ARG 57.A O no hydrogen 2.618 N/A GLN 62.A N TRP 58.A O no hydrogen 2.930 N/A GLN 62.A NE2 VAL 229.A O no hydrogen 2.977 N/A GLN 63.A N ILE 59.A O no hydrogen 2.934 N/A HIS 64.A N ARG 60.A O no hydrogen 2.884 N/A TYR 65.A N THR 61.A O no hydrogen 3.085 N/A TYR 65.A OH ASN 230.A OD1 no hydrogen 2.578 N/A TYR 66.A N GLN 62.A O no hydrogen 3.382 N/A GLU 67.A N GLN 63.A O no hydrogen 2.885 N/A LYS 68.A N HIS 64.A O no hydrogen 2.965 N/A ASP 69.A N TYR 65.A O no hydrogen 2.768 N/A LYS 71.A NZ PRO 321.A O no hydrogen 2.598 N/A LYS 71.A NZ TRP 816.A O no hydrogen 3.198 N/A ARG 72.A N LYS 323.A O no hydrogen 3.003 N/A ARG 72.A NH1 ASP 69.A OD1 no hydrogen 2.708 N/A ARG 72.A NH1 PRO 70.A O no hydrogen 2.837 N/A ILE 73.A N ALA 144.A O no hydrogen 2.972 N/A TYR 74.A N ALA 325.A O no hydrogen 2.789 N/A TYR 75.A N TYR 146.A O no hydrogen 2.871 N/A LEU 76.A N GLN 327.A O no hydrogen 3.252 N/A SER 77.A N TYR 148.A O no hydrogen 3.204 N/A SER 77.A OG GLU 79.A O no hydrogen 2.618 N/A GLU 79.A N SER 77.A OG no hydrogen 3.020 N/A PHE 80.A N LEU 122.A O no hydrogen 2.845 N/A TYR 81.A N GLY 128.A O no hydrogen 2.767 N/A MET 82.A N PHE 80.A O no hydrogen 3.192 N/A GLY 83.A N ALA 120.A O no hydrogen 3.260 N/A THR 85.A N GLU 117.A OE2 no hydrogen 2.876 N/A LEU 86.A N GLU 117.A OE1 no hydrogen 2.983 N/A GLN 87.A NE2 GLU 96.A OE1 no hydrogen 2.986 N/A THR 89.A N THR 85.A O no hydrogen 3.256 N/A THR 89.A OG1 THR 85.A O no hydrogen 2.664 N/A MET 90.A N LEU 86.A O no hydrogen 2.885 N/A VAL 91.A N GLN 87.A O no hydrogen 2.821 N/A ASN 92.A N ASN 88.A O no hydrogen 2.978 N/A ASN 92.A ND2 ASP 136.A OD2 no hydrogen 3.543 N/A ASN 92.A ND2 PRO 222.A O no hydrogen 2.702 N/A LEU 93.A N THR 89.A O no hydrogen 3.013 N/A LEU 93.A N MET 90.A O no hydrogen 3.287 N/A ALA 94.A N VAL 91.A O no hydrogen 3.001 N/A LEU 95.A N MET 90.A O no hydrogen 2.901 N/A ASN 97.A N ARG 7.A O no hydrogen 3.162 N/A ASN 97.A ND2 ILE 4.A O no hydrogen 3.234 N/A ASN 97.A ND2 GLY 8.A O no hydrogen 2.860 N/A CYS 99.A N LEU 95.A O no hydrogen 3.042 N/A CYS 99.A SG LEU 95.A O no hydrogen 3.255 N/A ASP 100.A N GLU 96.A O no hydrogen 3.000 N/A GLU 101.A N ASN 97.A O no hydrogen 2.864 N/A ALA 102.A N ALA 98.A O no hydrogen 2.840 N/A THR 103.A N CYS 99.A O no hydrogen 2.953 N/A THR 103.A OG1 CYS 99.A O no hydrogen 2.876 N/A TYR 104.A N ASP 100.A O no hydrogen 2.959 N/A GLN 105.A N GLU 101.A O no hydrogen 2.753 N/A GLN 105.A NE2 GLU 101.A OE2 no hydrogen 2.987 N/A LEU 106.A N THR 103.A O no hydrogen 3.311 N/A GLY 107.A N TYR 104.A O no hydrogen 2.728 N/A LEU 108.A N THR 103.A O no hydrogen 2.787 N/A GLU 111.A N ASP 109.A OD1 no hydrogen 3.218 N/A GLU 114.A N MET 110.A O no hydrogen 2.987 N/A GLU 115.A N GLU 111.A O no hydrogen 2.992 N/A ILE 116.A N LEU 113.A O no hydrogen 2.830 N/A GLU 117.A N GLU 114.A O no hydrogen 3.291 N/A ALA 120.A N GLY 83.A O no hydrogen 3.055 N/A GLY 123.A N GLY 121.A O no hydrogen 2.824 N/A ASN 124.A N GLU 79.A OE1 no hydrogen 2.774 N/A ASN 124.A ND2 GLU 79.A OE1 no hydrogen 3.405 N/A ASN 124.A ND2 GLU 79.A OE2 no hydrogen 3.051 N/A ASN 124.A ND2 TYR 271.A O no hydrogen 3.123 N/A ARG 129.A N GLY 125.A O no hydrogen 2.939 N/A ARG 129.A NE TYR 81.A O no hydrogen 3.102 N/A ARG 129.A NH2 TYR 81.A O no hydrogen 3.193 N/A LEU 130.A N GLY 126.A O no hydrogen 2.826 N/A ALA 131.A N LEU 127.A O no hydrogen 3.069 N/A ALA 132.A N GLY 128.A O no hydrogen 3.336 N/A CYS 133.A N ARG 129.A O no hydrogen 2.997 N/A CYS 133.A SG ARG 129.A O no hydrogen 3.939 N/A PHE 134.A N LEU 130.A O no hydrogen 2.811 N/A LEU 135.A N ALA 131.A O no hydrogen 3.071 N/A SER 137.A N CYS 133.A O no hydrogen 3.044 N/A SER 137.A OG CYS 133.A O no hydrogen 3.537 N/A SER 137.A OG SER 804.A OG no hydrogen 2.738 N/A SER 137.A OG ASP 805.A OD1 no hydrogen 2.834 N/A MET 138.A N PHE 134.A O no hydrogen 2.655 N/A ALA 139.A N LEU 135.A O no hydrogen 3.032 N/A THR 140.A N ASP 136.A O no hydrogen 2.932 N/A THR 140.A OG1 ASP 136.A O no hydrogen 3.347 N/A LEU 141.A N SER 137.A O no hydrogen 2.882 N/A GLY 142.A N ALA 139.A O no hydrogen 2.906 N/A LEU 143.A N MET 138.A O no hydrogen 2.935 N/A TYR 146.A N ILE 73.A O no hydrogen 2.939 N/A GLY 147.A N THR 231.A O no hydrogen 3.348 N/A TYR 148.A N TYR 75.A O no hydrogen 2.995 N/A TYR 148.A OH ASP 297.A OD2 no hydrogen 2.786 N/A GLY 149.A N ARG 233.A O no hydrogen 3.292 N/A ARG 151.A N TRP 235.A O no hydrogen 2.848 N/A ARG 151.A NE GLU 181.A OE1 no hydrogen 2.869 N/A ARG 151.A NH2 GLU 181.A OE2 no hydrogen 2.784 N/A TYR 152.A OH LEU 78.A O no hydrogen 3.101 N/A GLU 153.A N SER 267.A O no hydrogen 3.133 N/A PHE 154.A N ARG 268.A O no hydrogen 2.823 N/A ILE 156.A N GLY 121.A O no hydrogen 3.059 N/A ASN 158.A N GLU 169.A O no hydrogen 2.795 N/A ASN 158.A ND2 ASP 171.A OD1 no hydrogen 3.355 N/A GLN 159.A N ASN 638.A OD1 no hydrogen 2.908 N/A GLN 159.A NE2 GLN 166.A OE1 no hydrogen 2.954 N/A GLN 159.A NE2 GLY 598.A O no hydrogen 2.947 N/A LYS 160.A N MET 167.A O no hydrogen 2.785 N/A LYS 160.A NZ GLU 169.A OE1 no hydrogen 2.670 N/A LYS 160.A NZ GLU 169.A OE2 no hydrogen 2.757 N/A CYS 162.A N TRP 165.A O no hydrogen 2.632 N/A TRP 165.A N CYS 162.A O no hydrogen 2.840 N/A GLN 166.A NE2 GLU 168.A OE1 no hydrogen 2.794 N/A GLN 166.A NE2 ALA 600.A O no hydrogen 2.842 N/A MET 167.A N LYS 160.A O no hydrogen 2.587 N/A GLU 169.A N ASN 158.A O no hydrogen 3.080 N/A TRP 173.A NE1 TYR 152.A O no hydrogen 2.832 N/A ARG 175.A N ASP 172.A O no hydrogen 3.379 N/A ARG 175.A NH1 GLU 118.A OE2 no hydrogen 2.956 N/A ARG 175.A NH2 GLU 118.A OE1 no hydrogen 2.904 N/A ARG 175.A NH2 GLU 118.A OE2 no hydrogen 3.059 N/A GLY 177.A N LEU 174.A O no hydrogen 2.901 N/A GLU 181.A N ASN 178.A OD1 no hydrogen 3.267 N/A LYS 182.A N ASP 218.A O no hydrogen 2.906 N/A ARG 184.A N PRO 216.A O no hydrogen 2.753 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.798 N/A PHE 187.A N ARG 184.A O no hydrogen 2.877 N/A THR 188.A N PRO 185.A O no hydrogen 3.380 N/A THR 188.A OG1 PRO 185.A O no hydrogen 2.730 N/A LEU 189.A N ALA 214.A O no hydrogen 3.146 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 2.554 N/A PHE 193.A N GLN 210.A O no hydrogen 2.939 N/A TYR 194.A N LEU 386.A O no hydrogen 2.877 N/A TYR 194.A OH GLU 281.A OE1 no hydrogen 3.230 N/A ARG 196.A N VAL 207.A O no hydrogen 2.739 N/A ARG 196.A NE ASP 208.A OD2 no hydrogen 2.863 N/A ARG 196.A NH2 ASP 208.A OD1 no hydrogen 3.216 N/A ARG 196.A NH2 ASP 208.A OD2 no hydrogen 2.780 N/A GLU 198.A N LYS 205.A O no hydrogen 3.062 N/A THR 200.A N GLY 203.A O no hydrogen 2.924 N/A LYS 205.A N GLU 198.A O no hydrogen 3.010 N/A LYS 205.A NZ GLU 198.A OE1 no hydrogen 2.706 N/A LYS 205.A NZ THR 200.A OG1 no hydrogen 2.602 N/A TRP 206.A NE1 TYR 194.A O no hydrogen 2.689 N/A VAL 207.A N ARG 196.A O no hydrogen 2.758 N/A THR 209.A OG1 HIS 192.A ND1 no hydrogen 2.554 N/A GLN 210.A N PHE 193.A O no hydrogen 2.806 N/A VAL 212.A N VAL 191.A O no hydrogen 2.986 N/A LEU 213.A N LYS 238.A O no hydrogen 2.882 N/A ALA 214.A N LEU 189.A O no hydrogen 2.757 N/A MET 215.A N SER 236.A O no hydrogen 2.808 N/A TYR 217.A N LEU 234.A O no hydrogen 3.032 N/A ASP 218.A N LYS 182.A O no hydrogen 3.120 N/A THR 219.A N MET 232.A O no hydrogen 2.902 N/A VAL 221.A N ASN 230.A O no hydrogen 2.795 N/A GLY 223.A N VAL 228.A O no hydrogen 2.900 N/A TYR 224.A N THR 140.A OG1 no hydrogen 2.819 N/A ARG 225.A N ASN 92.A O no hydrogen 3.010 N/A ARG 225.A NH1 VAL 91.A O no hydrogen 2.609 N/A ASN 226.A ND2 ALA 139.A O no hydrogen 2.967 N/A ASN 227.A ND2 LEU 825.A O no hydrogen 2.816 N/A VAL 229.A N THR 61.A OG1 no hydrogen 3.208 N/A ASN 230.A N VAL 221.A O no hydrogen 2.966 N/A ASN 230.A ND2 LEU 143.A O no hydrogen 2.927 N/A MET 232.A N THR 219.A O no hydrogen 2.951 N/A ARG 233.A N GLY 147.A O no hydrogen 2.835 N/A ARG 233.A NE ASP 297.A OD2 no hydrogen 2.887 N/A ARG 233.A NH1 ASP 218.A OD1 no hydrogen 2.853 N/A ARG 233.A NH2 ASP 297.A OD1 no hydrogen 3.330 N/A ARG 233.A NH2 ASP 297.A OD2 no hydrogen 2.804 N/A LEU 234.A N TYR 217.A O no hydrogen 2.968 N/A TRP 235.A N GLY 149.A O no hydrogen 2.881 N/A TRP 235.A NE1 THR 294.A OG1 no hydrogen 3.167 N/A SER 236.A N MET 215.A O no hydrogen 2.747 N/A ALA 237.A N SER 267.A OG no hydrogen 2.917 N/A LYS 238.A N LEU 213.A O no hydrogen 2.873 N/A LYS 238.A NZ GLU 264.A OE2 no hydrogen 2.946 N/A ALA 239.A N GLU 264.A OE2 no hydrogen 2.982 N/A ASN 244.A ND2 ASP 259.A O no hydrogen 3.572 N/A LYS 246.A NZ ASP 242.A OD2 no hydrogen 2.592 N/A LYS 246.A NZ LYS 246.A O no hydrogen 2.743 N/A ASP 247.A N LEU 245.A O no hydrogen 2.970 N/A PHE 248.A N ASP 247.A OD1 no hydrogen 3.219 N/A ALA 256.A N GLY 252.A O no hydrogen 2.824 N/A VAL 257.A N TYR 253.A O no hydrogen 3.183 N/A VAL 257.A N ILE 254.A O no hydrogen 3.038 N/A LEU 258.A N ILE 254.A O no hydrogen 2.933 N/A ASP 259.A N GLN 255.A O no hydrogen 2.843 N/A ARG 260.A N VAL 257.A O no hydrogen 3.151 N/A ARG 260.A NH1 ASN 241.A OD1 no hydrogen 2.875 N/A ARG 260.A NH1 ASN 244.A O no hydrogen 2.857 N/A ARG 260.A NH2 ASN 241.A OD1 no hydrogen 2.825 N/A ASN 261.A ND2 ASN 261.A O no hydrogen 2.667 N/A LEU 262.A N ARG 260.A O no hydrogen 2.654 N/A ALA 263.A N ARG 260.A O no hydrogen 2.756 N/A GLU 264.A N ARG 260.A O no hydrogen 3.254 N/A ILE 266.A N ALA 263.A O no hydrogen 3.536 N/A ARG 268.A N ASN 265.A O no hydrogen 3.031 N/A ARG 268.A NE ASN 265.A OD1 no hydrogen 3.000 N/A ARG 268.A NH1 GLU 153.A OE1 no hydrogen 2.856 N/A ARG 268.A NH2 ASN 265.A OD1 no hydrogen 2.597 N/A LEU 270.A N PHE 154.A O no hydrogen 2.897 N/A ASN 275.A ND2 ASP 274.A OD2 no hydrogen 3.332 N/A LYS 280.A NZ GLU 278.A OE1 no hydrogen 2.912 N/A LYS 280.A NZ GLU 278.A OE2 no hydrogen 2.631 N/A ARG 283.A NH1 GLU 287.A OE2 no hydrogen 2.833 N/A LEU 284.A N LYS 280.A O no hydrogen 3.287 N/A LYS 285.A N GLU 281.A O no hydrogen 3.058 N/A LYS 285.A NZ TYR 194.A OH no hydrogen 2.760 N/A LYS 285.A NZ GLU 281.A OE1 no hydrogen 2.755 N/A GLN 286.A N LEU 282.A O no hydrogen 2.845 N/A GLN 286.A NE2 ILE 266.A O no hydrogen 3.131 N/A GLN 286.A NE2 VAL 269.A O no hydrogen 3.039 N/A GLU 287.A N ARG 283.A O no hydrogen 2.914 N/A TYR 288.A N LEU 284.A O no hydrogen 2.809 N/A TYR 288.A OH GLU 339.A OE1 no hydrogen 2.911 N/A PHE 289.A N LYS 285.A O no hydrogen 2.910 N/A VAL 290.A N GLN 286.A O no hydrogen 3.277 N/A VAL 291.A N GLU 287.A O no hydrogen 3.484 N/A ALA 292.A N TYR 288.A O no hydrogen 2.914 N/A ALA 293.A N PHE 289.A O no hydrogen 3.153 N/A THR 294.A N VAL 290.A O no hydrogen 3.011 N/A THR 294.A OG1 VAL 290.A O no hydrogen 2.638 N/A LEU 295.A N VAL 291.A O no hydrogen 2.883 N/A GLN 296.A N ALA 293.A O no hydrogen 3.008 N/A GLN 296.A NE2 PRO 190.A O no hydrogen 2.756 N/A GLN 296.A NE2 ALA 292.A O no hydrogen 3.520 N/A ASP 297.A N ALA 293.A O no hydrogen 3.414 N/A ASP 297.A N THR 294.A O no hydrogen 3.105 N/A ILE 298.A N THR 294.A O no hydrogen 2.984 N/A ILE 299.A N LEU 295.A O no hydrogen 2.998 N/A ARG 300.A N GLN 296.A O no hydrogen 3.070 N/A ARG 300.A NH2 ASP 297.A OD1 no hydrogen 2.749 N/A ARG 301.A N ASP 297.A O no hydrogen 3.164 N/A ARG 301.A NE TYR 74.A OH no hydrogen 3.490 N/A ARG 301.A NH2 ASP 297.A OD2 no hydrogen 3.098 N/A PHE 302.A N ILE 298.A O no hydrogen 2.897 N/A LYS 303.A N ILE 299.A O no hydrogen 2.699 N/A LYS 303.A NZ GLU 348.A OE1 no hydrogen 2.716 N/A LYS 303.A NZ GLU 348.A OE2 no hydrogen 2.931 N/A SER 304.A N ARG 300.A O no hydrogen 3.220 N/A SER 304.A OG ARG 300.A O no hydrogen 3.476 N/A SER 305.A N ARG 301.A O no hydrogen 2.926 N/A SER 305.A OG ASP 69.A OD1 no hydrogen 3.193 N/A SER 305.A OG ASP 69.A OD2 no hydrogen 2.959 N/A LYS 306.A NZ ASP 69.A OD2 no hydrogen 2.889 N/A GLY 308.A N SER 304.A O no hydrogen 2.983 N/A CYS 309.A SG GLY 308.A O no hydrogen 3.357 N/A ARG 310.A N LYS 306.A O no hydrogen 2.902 N/A ASN 316.A ND2 ASP 318.A OD2 no hydrogen 3.119 N/A PHE 317.A N THR 315.A O no hydrogen 2.867 N/A ALA 319.A N ASN 316.A O no hydrogen 3.405 N/A PHE 320.A N PHE 317.A O no hydrogen 2.908 N/A ASP 322.A N ALA 319.A O no hydrogen 2.986 N/A LYS 323.A N PHE 320.A O no hydrogen 2.980 N/A LYS 323.A NZ ASP 69.A O no hydrogen 2.680 N/A LYS 323.A NZ ASP 69.A OD2 no hydrogen 2.738 N/A VAL 324.A N PHE 320.A O no hydrogen 2.754 N/A ALA 325.A N ARG 72.A O no hydrogen 2.950 N/A ILE 326.A N THR 362.A O no hydrogen 3.023 N/A GLN 327.A N TYR 74.A O no hydrogen 2.878 N/A GLN 327.A NE2 THR 366.A OG1 no hydrogen 2.767 N/A LEU 328.A N ALA 364.A O no hydrogen 2.825 N/A ASN 329.A N LEU 76.A O no hydrogen 3.301 N/A ASN 329.A ND2 SER 77.A OG no hydrogen 3.190 N/A ASP 330.A N THR 366.A O no hydrogen 3.041 N/A THR 331.A N ASP 330.A OD1 no hydrogen 2.847 N/A THR 331.A OG1 GLU 376.A OE1 no hydrogen 2.685 N/A SER 334.A N THR 331.A O no hydrogen 2.830 N/A SER 334.A OG THR 331.A O no hydrogen 2.881 N/A ALA 336.A N PRO 333.A O no hydrogen 2.932 N/A ILE 337.A N SER 334.A O no hydrogen 3.121 N/A GLU 339.A N LEU 335.A O no hydrogen 2.912 N/A LEU 340.A N ALA 336.A O no hydrogen 2.859 N/A MET 341.A N ILE 337.A O no hydrogen 3.186 N/A ARG 342.A N PRO 338.A O no hydrogen 2.881 N/A ARG 342.A NE GLU 339.A OE1 no hydrogen 2.915 N/A ARG 342.A NH2 GLU 339.A OE1 no hydrogen 3.265 N/A ARG 342.A NH2 GLU 339.A OE2 no hydrogen 3.085 N/A VAL 343.A N GLU 339.A O no hydrogen 3.080 N/A LEU 344.A N LEU 340.A O no hydrogen 3.102 N/A VAL 345.A N MET 341.A O no hydrogen 2.757 N/A ASP 346.A N ARG 342.A O no hydrogen 2.918 N/A LEU 347.A N ARG 342.A O no hydrogen 3.425 N/A LEU 347.A N VAL 343.A O no hydrogen 3.000 N/A GLU 348.A N VAL 343.A O no hydrogen 2.688 N/A ARG 349.A N VAL 345.A O no hydrogen 3.268 N/A ARG 349.A NH1 VAL 345.A O no hydrogen 3.396 N/A LEU 350.A N LEU 344.A O no hydrogen 3.011 N/A LYS 354.A N ASP 351.A OD2 no hydrogen 2.880 N/A LYS 354.A NZ GLU 357.A OE1 no hydrogen 2.775 N/A ALA 355.A N ASP 351.A O no hydrogen 2.887 N/A TRP 356.A N TRP 352.A O no hydrogen 2.834 N/A TRP 356.A N ASP 353.A O no hydrogen 3.311 N/A GLU 357.A N ASP 353.A O no hydrogen 3.411 N/A VAL 358.A N LYS 354.A O no hydrogen 2.977 N/A THR 359.A N ALA 355.A O no hydrogen 3.188 N/A THR 359.A OG1 ALA 355.A O no hydrogen 2.862 N/A VAL 360.A N TRP 356.A O no hydrogen 2.924 N/A LYS 361.A N GLU 357.A O no hydrogen 3.278 N/A LYS 361.A NZ GLU 357.A OE2 no hydrogen 2.906 N/A THR 362.A N VAL 358.A O no hydrogen 3.183 N/A THR 362.A N THR 359.A O no hydrogen 2.969 N/A CYS 363.A N THR 359.A O no hydrogen 3.053 N/A CYS 363.A SG THR 359.A O no hydrogen 3.776 N/A ALA 364.A N ILE 326.A O no hydrogen 3.286 N/A TYR 365.A N ALA 442.A O no hydrogen 3.204 N/A THR 366.A N LEU 328.A O no hydrogen 2.893 N/A THR 366.A OG1 ASN 444.A OD1 no hydrogen 3.361 N/A ASN 367.A N ASN 444.A O no hydrogen 2.849 N/A ASN 367.A ND2 TYR 365.A OH no hydrogen 2.941 N/A HIS 368.A NE2 ASN 329.A OD1 no hydrogen 2.536 N/A THR 369.A OG1 ASN 275.A OD1 no hydrogen 3.531 N/A ILE 371.A N THR 369.A OG1 no hydrogen 3.158 N/A GLU 373.A N GLU 373.A OE1 no hydrogen 2.976 N/A ALA 374.A N ILE 371.A O no hydrogen 3.014 N/A ARG 377.A NH1 GLU 423.A OE1 no hydrogen 2.941 N/A ARG 377.A NH2 PRO 372.A O no hydrogen 3.298 N/A TRP 378.A NE1 GLU 287.A OE1 no hydrogen 3.121 N/A VAL 380.A N LYS 428.A O no hydrogen 3.078 N/A LEU 382.A N PRO 379.A O no hydrogen 2.870 N/A GLU 384.A N VAL 380.A O no hydrogen 2.938 N/A THR 385.A OG1 HIS 381.A O no hydrogen 2.940 N/A LEU 386.A N LEU 382.A O no hydrogen 3.125 N/A LEU 387.A N LEU 383.A O no hydrogen 2.816 N/A ARG 389.A NE GLN 392.A OE1 no hydrogen 2.673 N/A ARG 389.A NH1 ASP 346.A OD2 no hydrogen 2.806 N/A ARG 389.A NH2 GLN 392.A OE1 no hydrogen 3.279 N/A HIS 390.A N LEU 387.A O no hydrogen 3.201 N/A HIS 390.A NE2 GLU 339.A OE1 no hydrogen 2.823 N/A LEU 391.A N LEU 387.A O no hydrogen 3.355 N/A ILE 393.A N ARG 389.A O no hydrogen 2.989 N/A ILE 394.A N HIS 390.A O no hydrogen 2.894 N/A TYR 395.A N LEU 391.A O no hydrogen 2.801 N/A GLU 396.A N GLN 392.A O no hydrogen 3.280 N/A ILE 397.A N ILE 393.A O no hydrogen 2.843 N/A ASN 398.A N ILE 394.A O no hydrogen 3.097 N/A ASN 398.A ND2 SER 420.A OG no hydrogen 3.387 N/A GLN 399.A N TYR 395.A O no hydrogen 2.997 N/A GLN 399.A NE2 GLU 396.A OE1 no hydrogen 3.146 N/A ARG 400.A N GLU 396.A O no hydrogen 3.023 N/A ARG 400.A NE GLU 396.A OE2 no hydrogen 2.786 N/A ARG 400.A NH1 ASP 353.A OD2 no hydrogen 2.989 N/A ARG 400.A NH2 GLU 396.A OE2 no hydrogen 2.848 N/A PHE 401.A N ILE 397.A O no hydrogen 2.899 N/A LEU 402.A N ASN 398.A O no hydrogen 3.008 N/A ASN 403.A N GLN 399.A O no hydrogen 3.104 N/A ARG 404.A N PHE 401.A O no hydrogen 2.844 N/A ARG 404.A NH1 GLU 466.A OE2 no hydrogen 2.846 N/A ARG 404.A NH2 GLU 466.A OE2 no hydrogen 2.732 N/A VAL 405.A N PHE 401.A O no hydrogen 3.042 N/A ALA 406.A N LEU 402.A O no hydrogen 3.041 N/A ALA 407.A N ASN 403.A O no hydrogen 3.191 N/A ALA 408.A N ARG 404.A O no hydrogen 2.913 N/A PHE 409.A N VAL 405.A O no hydrogen 2.618 N/A ASP 412.A N PHE 409.A O no hydrogen 2.970 N/A LEU 416.A N ASP 412.A O no hydrogen 3.267 N/A ARG 417.A N ASP 414.A O no hydrogen 3.201 N/A ARG 417.A NE ASP 414.A OD1 no hydrogen 2.823 N/A ARG 418.A N ASP 414.A O no hydrogen 2.980 N/A ARG 418.A NE ASP 461.A OD1 no hydrogen 3.335 N/A ARG 418.A NE ASP 461.A OD2 no hydrogen 3.033 N/A ARG 418.A NH1 ASP 414.A OD2 no hydrogen 2.736 N/A ARG 418.A NH2 ASP 461.A OD1 no hydrogen 2.763 N/A MET 419.A N ARG 415.A O no hydrogen 2.715 N/A SER 420.A N LEU 416.A O no hydrogen 3.317 N/A LEU 421.A N ASN 398.A OD1 no hydrogen 2.943 N/A GLU 423.A N ARG 429.A O no hydrogen 2.798 N/A LYS 428.A NZ GLU 424.A OE1 no hydrogen 2.646 N/A LYS 428.A NZ GLU 424.A OE2 no hydrogen 2.506 N/A ARG 429.A N GLU 423.A O no hydrogen 2.922 N/A ARG 429.A NH1 ARG 377.A O no hydrogen 2.980 N/A ILE 430.A N TRP 378.A O no hydrogen 2.911 N/A ASN 431.A N LEU 421.A O no hydrogen 2.731 N/A ASN 431.A ND2 GLU 423.A OE2 no hydrogen 3.025 N/A MET 432.A N GLU 376.A O no hydrogen 3.334 N/A HIS 434.A N ASN 431.A OD1 no hydrogen 2.821 N/A HIS 434.A ND1 SER 420.A O no hydrogen 2.765 N/A LEU 435.A N ASN 431.A O no hydrogen 3.195 N/A CYS 436.A N MET 432.A O no hydrogen 3.050 N/A CYS 436.A SG MET 432.A O no hydrogen 3.475 N/A ILE 437.A N ALA 433.A O no hydrogen 3.043 N/A ALA 438.A N HIS 434.A O no hydrogen 2.874 N/A GLY 439.A N LEU 435.A O no hydrogen 2.836 N/A SER 440.A OG CYS 436.A O no hydrogen 2.655 N/A HIS 441.A N CYS 363.A O no hydrogen 3.026 N/A HIS 441.A ND1 CYS 363.A O no hydrogen 2.760 N/A HIS 441.A NE2 ILE 815.A O no hydrogen 3.064 N/A VAL 443.A N LYS 469.A O no hydrogen 2.844 N/A ASN 444.A N TYR 365.A O no hydrogen 3.172 N/A ASN 444.A ND2 GLY 445.A O no hydrogen 3.354 N/A ASN 444.A ND2 TYR 811.A OH no hydrogen 3.190 N/A GLY 445.A N GLN 471.A O no hydrogen 3.413 N/A ARG 448.A N GLU 689.A OE2 no hydrogen 2.832 N/A ARG 448.A NH1 GLU 692.A OE1 no hydrogen 2.717 N/A ARG 448.A NH2 GLU 692.A OE1 no hydrogen 2.990 N/A ARG 448.A NH2 GLU 692.A OE2 no hydrogen 2.665 N/A SER 451.A N ALA 447.A O no hydrogen 2.702 N/A SER 451.A OG ALA 447.A O no hydrogen 2.945 N/A GLU 452.A N ARG 448.A O no hydrogen 3.028 N/A ILE 453.A N ILE 449.A O no hydrogen 2.843 N/A LEU 454.A N HIS 450.A O no hydrogen 3.187 N/A LYS 455.A NZ GLU 452.A OE1 no hydrogen 2.896 N/A LYS 455.A NZ GLU 452.A OE2 no hydrogen 2.562 N/A LYS 456.A N GLU 452.A O no hydrogen 2.960 N/A LYS 456.A NZ GLU 452.A O no hydrogen 2.985 N/A LYS 456.A NZ GLU 452.A OE1 no hydrogen 2.677 N/A THR 457.A N ILE 453.A O no hydrogen 2.763 N/A ILE 458.A N ILE 453.A O no hydrogen 3.397 N/A PHE 459.A N LEU 454.A O no hydrogen 2.683 N/A LYS 460.A N THR 457.A O no hydrogen 3.488 N/A LYS 460.A NZ ASP 461.A OD2 no hydrogen 3.331 N/A TYR 463.A N PHE 459.A O no hydrogen 3.008 N/A GLU 464.A N LYS 460.A O no hydrogen 3.045 N/A LEU 465.A N ASP 461.A O no hydrogen 3.180 N/A GLU 466.A N PHE 462.A O no hydrogen 2.853 N/A LYS 469.A N GLU 466.A O no hydrogen 2.928 N/A LYS 469.A NZ ILE 437.A O no hydrogen 2.745 N/A LYS 469.A NZ GLU 466.A OE1 no hydrogen 2.797 N/A LYS 469.A NZ GLU 466.A OE2 no hydrogen 3.369 N/A PHE 470.A N PRO 467.A O no hydrogen 3.449 N/A GLN 471.A N VAL 443.A O no hydrogen 2.797 N/A GLN 471.A NE2 GLU 814.A O no hydrogen 2.826 N/A ASN 472.A ND2 GLY 445.A O no hydrogen 3.523 N/A ASN 472.A ND2 SER 451.A OG no hydrogen 2.650 N/A LYS 473.A N GLY 445.A O no hydrogen 3.103 N/A LYS 473.A NZ GLN 471.A OE1 no hydrogen 2.636 N/A LYS 473.A NZ ASN 472.A O no hydrogen 3.062 N/A LYS 473.A NZ GLU 814.A OE1 no hydrogen 2.592 N/A THR 474.A OG1 GLU 689.A OE1 no hydrogen 2.917 N/A THR 474.A OG1 GLU 689.A OE2 no hydrogen 3.471 N/A ASN 475.A N VAL 446.A O no hydrogen 3.400 N/A ILE 477.A N PHE 802.A O no hydrogen 3.123 N/A THR 478.A OG1 ASP 136.A OD1 no hydrogen 2.866 N/A ARG 480.A NE ASP 136.A OD1 no hydrogen 3.026 N/A ARG 480.A NH1 ILE 503.A O no hydrogen 2.621 N/A ARG 480.A NH1 ASP 805.A OD2 no hydrogen 2.760 N/A ARG 480.A NH2 ASP 136.A OD1 no hydrogen 2.658 N/A ARG 480.A NH2 ASP 805.A OD1 no hydrogen 2.741 N/A ARG 480.A NH2 ASP 805.A OD2 no hydrogen 3.458 N/A ARG 481.A NE GLU 645.A OE2 no hydrogen 2.939 N/A ARG 481.A NH1 ARG 84.A O no hydrogen 3.380 N/A ARG 481.A NH2 ARG 84.A O no hydrogen 2.641 N/A ARG 481.A NH2 GLU 645.A OE2 no hydrogen 3.127 N/A TRP 482.A N THR 478.A O no hydrogen 2.984 N/A VAL 484.A N PRO 479.A O no hydrogen 3.082 N/A LEU 485.A N ARG 480.A O no hydrogen 2.953 N/A CYS 486.A N ARG 481.A O no hydrogen 3.213 N/A CYS 486.A SG ARG 481.A O no hydrogen 3.287 N/A ASN 487.A N LEU 483.A O no hydrogen 2.854 N/A ASN 487.A ND2 ASN 675.A OD1 no hydrogen 2.726 N/A LEU 490.A N ASN 487.A OD1 no hydrogen 3.456 N/A ALA 491.A N ASN 487.A O no hydrogen 3.060 N/A GLU 492.A N PRO 488.A O no hydrogen 2.896 N/A ILE 493.A N GLY 489.A O no hydrogen 3.228 N/A ILE 494.A N LEU 490.A O no hydrogen 3.307 N/A ALA 495.A N ALA 491.A O no hydrogen 2.934 N/A GLU 496.A N GLU 492.A O no hydrogen 2.705 N/A ARG 497.A NE ILE 493.A O no hydrogen 3.329 N/A ARG 497.A NH2 GLU 496.A OE1 no hydrogen 2.795 N/A ARG 497.A NH2 ASP 524.A OD2 no hydrogen 2.648 N/A ILE 498.A N ILE 494.A O no hydrogen 2.957 N/A GLY 499.A N ALA 495.A O no hydrogen 2.856 N/A TYR 502.A OH ALA 491.A O no hydrogen 3.003 N/A ILE 503.A N GLU 500.A O no hydrogen 3.080 N/A ASP 505.A N TYR 502.A O no hydrogen 3.094 N/A GLN 508.A N ASP 505.A O no hydrogen 3.113 N/A GLN 508.A NE2 GLU 501.A OE1 no hydrogen 2.935 N/A GLN 508.A NE2 ASP 505.A OD2 no hydrogen 2.928 N/A LEU 509.A N LEU 506.A O no hydrogen 3.074 N/A ARG 510.A N ASP 507.A O no hydrogen 3.073 N/A ARG 510.A NH2 ASP 507.A OD1 no hydrogen 3.145 N/A LYS 511.A N GLN 508.A O no hydrogen 2.988 N/A LYS 511.A NZ GLN 508.A OE1 no hydrogen 2.682 N/A LEU 512.A N LEU 509.A O no hydrogen 2.806 N/A LEU 513.A N ARG 510.A O no hydrogen 3.065 N/A SER 514.A OG LYS 511.A O no hydrogen 3.565 N/A TYR 515.A N LEU 512.A O no hydrogen 2.800 N/A VAL 516.A N LEU 513.A O no hydrogen 2.879 N/A ASP 518.A N TYR 515.A O no hydrogen 2.848 N/A ALA 520.A N ASP 518.A OD1 no hydrogen 2.839 N/A PHE 521.A N ASP 518.A OD1 no hydrogen 3.171 N/A ILE 522.A N ASP 518.A O no hydrogen 2.807 N/A ARG 523.A N GLU 519.A O no hydrogen 3.438 N/A ARG 523.A NH1 GLU 519.A OE1 no hydrogen 2.728 N/A ASP 524.A N ALA 520.A O no hydrogen 3.112 N/A VAL 525.A N PHE 521.A O no hydrogen 2.862 N/A ALA 526.A N ILE 522.A O no hydrogen 2.994 N/A LYS 527.A N ARG 523.A O no hydrogen 2.706 N/A LYS 527.A NZ GLU 531.A OE2 no hydrogen 2.635 N/A VAL 528.A N ASP 524.A O no hydrogen 2.953 N/A LYS 529.A N VAL 525.A O no hydrogen 3.271 N/A LYS 529.A NZ PRO 649.A O no hydrogen 3.121 N/A LYS 529.A NZ ALA 651.A O no hydrogen 2.530 N/A LYS 529.A NZ ASN 675.A O no hydrogen 2.800 N/A LYS 529.A NZ GLY 676.A O no hydrogen 2.782 N/A GLN 530.A N ALA 526.A O no hydrogen 3.231 N/A GLN 530.A NE2 GLN 530.A O no hydrogen 3.492 N/A GLN 530.A NE2 PRO 550.A O no hydrogen 3.051 N/A GLU 531.A N LYS 527.A O no hydrogen 2.919 N/A ASN 532.A N VAL 528.A O no hydrogen 2.982 N/A ASN 532.A ND2 ASN 487.A OD1 no hydrogen 3.031 N/A ASN 532.A ND2 PRO 649.A O no hydrogen 3.307 N/A LYS 533.A N LYS 529.A O no hydrogen 2.996 N/A LYS 533.A NZ SER 552.A O no hydrogen 2.640 N/A LYS 533.A NZ ASP 652.A OD2 no hydrogen 2.636 N/A LEU 534.A N GLN 530.A O no hydrogen 2.997 N/A LYS 535.A N GLU 531.A O no hydrogen 2.853 N/A LYS 535.A NZ GLU 111.A OE1 no hydrogen 2.750 N/A LYS 535.A NZ GLU 111.A OE2 no hydrogen 3.428 N/A PHE 536.A N ASN 532.A O no hydrogen 3.021 N/A ALA 537.A N LYS 533.A O no hydrogen 2.860 N/A ALA 538.A N LEU 534.A O no hydrogen 3.079 N/A TYR 539.A N LYS 535.A O no hydrogen 3.040 N/A LEU 540.A N PHE 536.A O no hydrogen 2.794 N/A GLU 541.A N ALA 537.A O no hydrogen 3.018 N/A ARG 542.A N ALA 538.A O no hydrogen 2.794 N/A ARG 542.A NE GLU 543.A OE1 no hydrogen 2.795 N/A ARG 542.A NH2 GLU 543.A OE1 no hydrogen 3.034 N/A GLU 543.A N TYR 539.A O no hydrogen 2.947 N/A TYR 544.A N LEU 540.A O no hydrogen 3.064 N/A LYS 545.A N ARG 542.A O no hydrogen 3.266 N/A LYS 545.A NZ GLU 541.A O no hydrogen 2.693 N/A LYS 545.A NZ GLU 541.A OE2 no hydrogen 2.555 N/A LYS 545.A NZ LYS 545.A O no hydrogen 2.775 N/A VAL 546.A N TYR 544.A O no hydrogen 2.761 N/A HIS 547.A ND1 HIS 547.A O no hydrogen 2.789 N/A ASN 549.A ND2 ASP 629.A OD2 no hydrogen 2.963 N/A ASN 551.A N ASN 549.A OD1 no hydrogen 2.822 N/A SER 552.A N ASN 549.A O no hydrogen 3.173 N/A SER 552.A OG ASN 549.A O no hydrogen 2.752 N/A SER 552.A OG THR 593.A OG1 no hydrogen 2.769 N/A LEU 553.A N PRO 591.A O no hydrogen 3.093 N/A PHE 554.A N ASP 652.A OD2 no hydrogen 2.937 N/A ASP 555.A N THR 593.A O no hydrogen 2.832 N/A VAL 556.A N LEU 653.A O no hydrogen 2.986 N/A GLN 557.A N MET 595.A O no hydrogen 2.911 N/A GLN 557.A NE2 ASN 570.A OD1 no hydrogen 3.135 N/A LYS 559.A N GLY 597.A O no hydrogen 3.024 N/A LYS 559.A NZ GLN 656.A OE1 no hydrogen 2.594 N/A ARG 560.A NE ASN 124.A O no hydrogen 3.306 N/A ARG 560.A NH1 LYS 599.A O no hydrogen 3.041 N/A ARG 560.A NH2 ASN 124.A OD1 no hydrogen 2.754 N/A ARG 560.A NH2 PRO 272.A O no hydrogen 2.825 N/A ILE 561.A N LYS 599.A O no hydrogen 2.856 N/A HIS 562.A ND1 ASP 274.A OD1 no hydrogen 2.910 N/A HIS 562.A ND1 ASP 274.A OD2 no hydrogen 3.252 N/A GLU 563.A N TYR 604.A OH no hydrogen 3.135 N/A TYR 564.A OH GLU 663.A OE1 no hydrogen 2.646 N/A LYS 565.A N HIS 562.A O no hydrogen 3.063 N/A LYS 565.A NZ TYR 564.A OH no hydrogen 2.816 N/A LYS 565.A NZ GLU 663.A OE1 no hydrogen 3.101 N/A LYS 565.A NZ GLU 663.A OE2 no hydrogen 2.771 N/A ARG 566.A N GLU 563.A O no hydrogen 3.120 N/A ARG 566.A NH1 ILE 657.A O no hydrogen 2.895 N/A ARG 566.A NH1 ASP 767.A OD2 no hydrogen 3.038 N/A ARG 566.A NH2 LYS 763.A O no hydrogen 2.904 N/A ARG 566.A NH2 ASP 767.A OD2 no hydrogen 2.713 N/A GLN 567.A NE2 HIS 562.A O no hydrogen 2.897 N/A LEU 569.A N ARG 566.A O no hydrogen 3.038 N/A ASN 570.A N ARG 566.A O no hydrogen 3.336 N/A CYS 571.A N GLN 567.A O no hydrogen 2.944 N/A CYS 571.A SG GLN 567.A O no hydrogen 3.372 N/A LEU 572.A N LEU 568.A O no hydrogen 2.947 N/A LEU 572.A N LEU 569.A O no hydrogen 3.080 N/A HIS 573.A N LEU 569.A O no hydrogen 3.192 N/A VAL 574.A N ASN 570.A O no hydrogen 3.035 N/A ILE 575.A N CYS 571.A O no hydrogen 3.127 N/A THR 576.A N LEU 572.A O no hydrogen 3.115 N/A THR 576.A OG1 LEU 572.A O no hydrogen 2.954 N/A THR 576.A OG1 TYR 768.A OH no hydrogen 2.918 N/A LEU 577.A N HIS 573.A O no hydrogen 3.026 N/A TYR 578.A N VAL 574.A O no hydrogen 3.006 N/A TYR 578.A OH ASP 624.A OD2 no hydrogen 2.837 N/A ASN 579.A N ILE 575.A O no hydrogen 3.016 N/A ASN 579.A ND2 GLN 735.A OE1 no hydrogen 2.971 N/A ARG 580.A N THR 576.A O no hydrogen 2.793 N/A ARG 580.A NE GLU 728.A OE1 no hydrogen 3.283 N/A ARG 580.A NE GLU 728.A OE2 no hydrogen 2.834 N/A ARG 580.A NH1 GLU 776.A OE2 no hydrogen 2.678 N/A ARG 580.A NH2 GLU 728.A OE1 no hydrogen 2.787 N/A ARG 580.A NH2 GLU 728.A OE2 no hydrogen 3.491 N/A ILE 581.A N LEU 577.A O no hydrogen 3.279 N/A ILE 581.A N TYR 578.A O no hydrogen 3.344 N/A LYS 582.A N TYR 578.A O no hydrogen 2.956 N/A LYS 582.A N ASN 579.A O no hydrogen 3.090 N/A LYS 582.A NZ ASP 624.A OD1 no hydrogen 2.723 N/A LYS 582.A NZ ASP 624.A OD2 no hydrogen 2.617 N/A LYS 583.A N ASN 579.A O no hydrogen 3.033 N/A LYS 583.A NZ LYS 583.A O no hydrogen 3.055 N/A LYS 583.A NZ GLU 584.A OE2 no hydrogen 2.532 N/A GLU 584.A N ARG 580.A O no hydrogen 3.276 N/A LYS 587.A N GLU 584.A O no hydrogen 3.251 N/A LYS 587.A NZ GLU 584.A OE1 no hydrogen 2.760 N/A ARG 592.A N ARG 630.A O no hydrogen 3.024 N/A ARG 592.A NE ASP 555.A OD2 no hydrogen 3.031 N/A ARG 592.A NH2 ASP 555.A OD2 no hydrogen 2.805 N/A ARG 592.A NH2 GLN 775.A OE1 no hydrogen 2.605 N/A THR 593.A N LEU 553.A O no hydrogen 2.852 N/A THR 593.A OG1 SER 552.A OG no hydrogen 2.769 N/A VAL 594.A N ARG 632.A O no hydrogen 3.027 N/A MET 595.A N ASP 555.A O no hydrogen 2.823 N/A ILE 596.A N ILE 634.A O no hydrogen 2.858 N/A GLY 597.A N GLN 557.A O no hydrogen 3.034 N/A LYS 599.A NZ PHE 157.A O no hydrogen 2.640 N/A LYS 599.A NZ ASN 638.A OD1 no hydrogen 2.601 N/A ALA 600.A N GLN 166.A OE1 no hydrogen 3.070 N/A TYR 604.A N ALA 601.A O no hydrogen 3.186 N/A TYR 604.A OH GLU 563.A OE1 no hydrogen 2.892 N/A LYS 608.A N TYR 604.A O no hydrogen 3.234 N/A LYS 608.A NZ GLU 168.A OE1 no hydrogen 2.994 N/A LYS 608.A NZ GLU 168.A OE2 no hydrogen 2.617 N/A LYS 608.A NZ PRO 602.A O no hydrogen 2.856 N/A MET 609.A N HIS 605.A O no hydrogen 2.951 N/A ILE 610.A N MET 606.A O no hydrogen 2.828 N/A ILE 611.A N ALA 607.A O no hydrogen 3.082 N/A LYS 612.A N LYS 608.A O no hydrogen 3.276 N/A LYS 612.A NZ GLY 163.A O no hydrogen 2.776 N/A LEU 613.A N MET 609.A O no hydrogen 2.929 N/A ILE 614.A N ILE 610.A O no hydrogen 3.015 N/A THR 615.A N ILE 611.A O no hydrogen 3.061 N/A THR 615.A OG1 GLY 164.A O no hydrogen 3.198 N/A THR 615.A OG1 ILE 611.A O no hydrogen 3.207 N/A THR 615.A OG1 LYS 612.A O no hydrogen 3.211 N/A ALA 616.A N LYS 612.A O no hydrogen 2.928 N/A ILE 617.A N LEU 613.A O no hydrogen 2.844 N/A ILE 617.A N ILE 614.A O no hydrogen 3.186 N/A GLY 618.A N ILE 614.A O no hydrogen 3.152 N/A ASP 619.A N THR 615.A O no hydrogen 3.025 N/A VAL 620.A N ILE 617.A O no hydrogen 3.140 N/A VAL 621.A N ILE 617.A O no hydrogen 2.945 N/A ASN 622.A N GLY 618.A O no hydrogen 3.009 N/A ASN 622.A ND2 VAL 633.A O no hydrogen 3.040 N/A HIS 623.A N VAL 620.A O no hydrogen 2.794 N/A HIS 623.A ND1 ASP 619.A O no hydrogen 2.573 N/A ASP 624.A N VAL 621.A O no hydrogen 3.332 N/A VAL 626.A N ASP 624.A OD1 no hydrogen 3.115 N/A ARG 630.A N VAL 627.A O no hydrogen 3.041 N/A ARG 630.A NH1 PRO 585.A O no hydrogen 3.076 N/A ARG 630.A NH2 PRO 585.A O no hydrogen 2.548 N/A ARG 630.A NH2 LYS 587.A O no hydrogen 2.565 N/A ARG 632.A N ARG 592.A O no hydrogen 3.318 N/A ARG 632.A NH1 VAL 621.A O no hydrogen 2.777 N/A ARG 632.A NH1 LEU 631.A O no hydrogen 2.580 N/A VAL 633.A N ASN 622.A OD1 no hydrogen 3.006 N/A ILE 634.A N VAL 594.A O no hydrogen 2.864 N/A LEU 636.A N ILE 596.A O no hydrogen 2.770 N/A ASN 638.A N GLN 159.A OE1 no hydrogen 2.917 N/A ASN 638.A ND2 ASN 158.A OD1 no hydrogen 2.840 N/A ARG 640.A NE ASP 119.A OD1 no hydrogen 3.416 N/A ARG 640.A NH1 ASN 638.A O no hydrogen 2.883 N/A SER 642.A N ASP 119.A OD2 no hydrogen 2.995 N/A SER 642.A OG ASP 119.A OD1 no hydrogen 2.884 N/A SER 642.A OG ASP 119.A OD2 no hydrogen 2.909 N/A LEU 643.A N ARG 640.A O no hydrogen 2.953 N/A ALA 644.A N ARG 640.A O no hydrogen 2.953 N/A GLU 645.A N VAL 641.A O no hydrogen 3.064 N/A LYS 646.A N LEU 643.A O no hydrogen 2.852 N/A LYS 646.A NZ GLU 115.A OE1 no hydrogen 3.240 N/A LYS 646.A NZ GLU 115.A OE2 no hydrogen 2.685 N/A VAL 647.A N LEU 643.A O no hydrogen 3.000 N/A ILE 648.A N ALA 644.A O no hydrogen 3.280 N/A ALA 650.A N VAL 647.A O no hydrogen 2.790 N/A ALA 651.A N ILE 648.A O no hydrogen 3.361 N/A ASP 652.A N PHE 554.A O no hydrogen 3.025 N/A LEU 653.A N PHE 554.A O no hydrogen 3.034 N/A SER 654.A N LEU 678.A O no hydrogen 2.905 N/A GLU 655.A N VAL 556.A O no hydrogen 3.086 N/A GLN 656.A N ILE 680.A O no hydrogen 3.077 N/A GLN 656.A NE2 SER 654.A OG no hydrogen 2.966 N/A SER 658.A OG ASP 684.A OD2 no hydrogen 2.908 N/A THR 659.A OG1 PHE 762.A O no hydrogen 2.650 N/A GLY 661.A N ASP 684.A OD1 no hydrogen 2.774 N/A THR 662.A N THR 659.A O no hydrogen 3.121 N/A THR 662.A OG1 THR 659.A O no hydrogen 2.776 N/A GLU 663.A N ASP 684.A OD2 no hydrogen 2.957 N/A SER 665.A OG VAL 446.A O no hydrogen 3.157 N/A SER 665.A OG GLY 666.A O no hydrogen 2.913 N/A LYS 671.A N THR 667.A O no hydrogen 3.160 N/A PHE 672.A N GLY 668.A O no hydrogen 3.257 N/A MET 673.A N ASN 669.A O no hydrogen 3.149 N/A LEU 674.A N MET 670.A O no hydrogen 3.116 N/A ASN 675.A ND2 TRP 482.A O no hydrogen 2.830 N/A ASN 675.A ND2 LYS 671.A O no hydrogen 2.867 N/A ALA 677.A N PHE 672.A O no hydrogen 3.266 N/A LEU 678.A N ASP 652.A O no hydrogen 2.800 N/A ILE 680.A N SER 654.A O no hydrogen 3.270 N/A GLY 681.A N PHE 700.A O no hydrogen 3.141 N/A THR 682.A N GLN 656.A O no hydrogen 3.343 N/A THR 682.A OG1 GLN 656.A O no hydrogen 3.502 N/A THR 682.A OG1 SER 658.A O no hydrogen 2.660 N/A ALA 686.A N SER 665.A O no hydrogen 3.336 N/A ASN 687.A N ASP 684.A O no hydrogen 2.829 N/A ASN 687.A ND2 GLN 656.A O no hydrogen 3.145 N/A ASN 687.A ND2 THR 682.A O no hydrogen 2.835 N/A GLU 689.A N ALA 686.A O no hydrogen 2.910 N/A MET 690.A N ALA 686.A O no hydrogen 2.940 N/A ALA 691.A N ASN 687.A O no hydrogen 2.907 N/A GLU 692.A N VAL 688.A O no hydrogen 3.034 N/A GLU 693.A N GLU 689.A O no hydrogen 2.905 N/A ALA 694.A N MET 690.A O no hydrogen 2.934 N/A ASN 698.A N GLY 695.A O no hydrogen 2.877 N/A ASN 698.A ND2 ALA 694.A O no hydrogen 2.771 N/A PHE 699.A N GLU 696.A O no hydrogen 3.429 N/A PHE 700.A N THR 679.A O no hydrogen 2.859 N/A GLY 703.A N GLU 770.A OE1 no hydrogen 3.087 N/A MET 704.A N ASP 767.A OD1 no hydrogen 2.837 N/A ARG 705.A N ASP 708.A OD2 no hydrogen 2.970 N/A ARG 705.A NH1 GLY 703.A O no hydrogen 2.766 N/A VAL 709.A N ARG 705.A O no hydrogen 3.227 N/A VAL 709.A N VAL 706.A O no hydrogen 2.652 N/A ASP 710.A N VAL 706.A O no hydrogen 2.941 N/A ARG 711.A N GLU 707.A O no hydrogen 2.947 N/A ARG 711.A NH1 GLU 707.A OE2 no hydrogen 2.914 N/A LEU 712.A N ASP 708.A O no hydrogen 3.005 N/A ASP 713.A N VAL 709.A O no hydrogen 3.081 N/A ASP 713.A N ASP 710.A O no hydrogen 3.082 N/A GLN 714.A N ASP 710.A O no hydrogen 2.884 N/A GLN 714.A NE2 ASP 710.A O no hydrogen 3.155 N/A ARG 715.A N ARG 711.A O no hydrogen 3.082 N/A ARG 715.A NE GLY 716.A O no hydrogen 3.106 N/A ARG 715.A NH1 GLU 721.A OE2 no hydrogen 2.832 N/A ARG 715.A NH2 GLY 716.A O no hydrogen 2.866 N/A GLY 716.A N LEU 712.A O no hydrogen 2.688 N/A GLN 720.A N ASN 718.A OD1 no hydrogen 3.173 N/A GLN 720.A NE2 ASP 724.A OD1 no hydrogen 3.010 N/A TYR 722.A N ALA 719.A O no hydrogen 3.158 N/A TYR 723.A N ALA 719.A O no hydrogen 3.346 N/A TYR 723.A OH GLU 734.A OE1 no hydrogen 2.735 N/A ASP 724.A N GLN 720.A O no hydrogen 2.876 N/A ARG 725.A N GLU 721.A O no hydrogen 3.077 N/A ILE 726.A N TYR 722.A O no hydrogen 3.110 N/A ARG 730.A N ILE 726.A O no hydrogen 2.815 N/A ARG 730.A NE TYR 723.A O no hydrogen 3.204 N/A ARG 730.A NH2 ASP 724.A O no hydrogen 2.586 N/A GLN 731.A N PRO 727.A O no hydrogen 2.944 N/A ILE 732.A N GLU 728.A O no hydrogen 3.418 N/A ILE 733.A N LEU 729.A O no hydrogen 3.287 N/A GLU 734.A N ARG 730.A O no hydrogen 2.994 N/A GLN 735.A N GLN 731.A O no hydrogen 2.971 N/A GLN 735.A NE2 ASN 579.A OD1 no hydrogen 2.868 N/A LEU 736.A N ILE 732.A O no hydrogen 2.840 N/A SER 737.A N ILE 733.A O no hydrogen 2.982 N/A SER 737.A OG ILE 733.A O no hydrogen 3.212 N/A SER 738.A N GLU 734.A O no hydrogen 3.105 N/A SER 738.A OG GLU 734.A O no hydrogen 2.734 N/A PHE 740.A N GLN 735.A O no hydrogen 3.261 N/A SER 742.A N GLY 739.A O no hydrogen 3.109 N/A SER 742.A OG GLN 745.A O no hydrogen 3.360 N/A GLN 745.A N SER 742.A O no hydrogen 3.036 N/A LEU 748.A N GLN 745.A O no hydrogen 3.178 N/A LYS 750.A N ASP 747.A O no hydrogen 2.917 N/A LYS 750.A NZ ASP 747.A OD2 no hydrogen 2.664 N/A ILE 752.A N PHE 749.A O no hydrogen 3.066 N/A VAL 753.A N PHE 749.A O no hydrogen 3.088 N/A ASN 754.A N LYS 750.A O no hydrogen 2.997 N/A MET 755.A N ASP 751.A O no hydrogen 3.062 N/A LEU 756.A N ILE 752.A O no hydrogen 3.036 N/A MET 757.A N VAL 753.A O no hydrogen 2.990 N/A HIS 758.A N ASN 754.A O no hydrogen 2.805 N/A HIS 758.A N MET 755.A O no hydrogen 3.086 N/A HIS 759.A N MET 755.A O no hydrogen 2.628 N/A PHE 762.A N ASP 760.A OD1 no hydrogen 2.895 N/A LYS 763.A NZ ASP 713.A OD1 no hydrogen 2.675 N/A LYS 763.A NZ ASP 713.A OD2 no hydrogen 2.987 N/A VAL 764.A N ASP 760.A OD2 no hydrogen 3.036 N/A ASP 767.A N VAL 764.A O no hydrogen 3.245 N/A TYR 768.A N PHE 765.A O no hydrogen 3.414 N/A TYR 768.A OH THR 576.A OG1 no hydrogen 2.918 N/A TYR 771.A N ASP 767.A O no hydrogen 2.986 N/A TYR 771.A OH GLU 655.A OE1 no hydrogen 3.321 N/A TYR 771.A OH GLU 655.A OE2 no hydrogen 3.134 N/A VAL 772.A N TYR 768.A O no hydrogen 3.003 N/A LYS 773.A N GLU 769.A O no hydrogen 3.124 N/A LYS 773.A NZ GLU 769.A O no hydrogen 3.054 N/A CYS 774.A N GLU 770.A O no hydrogen 2.937 N/A CYS 774.A SG PHE 700.A O no hydrogen 3.534 N/A GLN 775.A N TYR 771.A O no hydrogen 2.932 N/A GLN 775.A NE2 TYR 771.A OH no hydrogen 3.394 N/A GLU 776.A N VAL 772.A O no hydrogen 3.141 N/A GLU 776.A N LYS 773.A O no hydrogen 2.798 N/A ARG 777.A N LYS 773.A O no hydrogen 3.210 N/A ARG 777.A NH2 ILE 701.A O no hydrogen 3.227 N/A VAL 778.A N CYS 774.A O no hydrogen 3.291 N/A ALA 780.A N GLU 776.A O no hydrogen 3.076 N/A LEU 781.A N ARG 777.A O no hydrogen 3.400 N/A TYR 782.A N VAL 778.A O no hydrogen 2.793 N/A LYS 783.A N SER 779.A O no hydrogen 3.399 N/A LYS 783.A NZ ALA 780.A O no hydrogen 3.036 N/A ASN 784.A N LEU 781.A O no hydrogen 2.824 N/A ARG 786.A NE GLU 787.A OE2 no hydrogen 3.228 N/A ARG 786.A NH1 GLU 519.A OE2 no hydrogen 2.800 N/A GLU 787.A N ASN 784.A O no hydrogen 2.994 N/A TRP 788.A N ASN 784.A O no hydrogen 3.253 N/A THR 789.A N PRO 785.A O no hydrogen 3.113 N/A THR 789.A OG1 PRO 785.A O no hydrogen 3.108 N/A ARG 790.A N ARG 786.A O no hydrogen 3.139 N/A ARG 790.A NE VAL 516.A O no hydrogen 3.063 N/A ARG 790.A NH1 GLU 787.A OE2 no hydrogen 3.201 N/A ARG 790.A NH2 ASP 517.A OD1 no hydrogen 2.632 N/A MET 791.A N GLU 787.A O no hydrogen 3.037 N/A VAL 792.A N TRP 788.A O no hydrogen 2.827 N/A ILE 793.A N THR 789.A O no hydrogen 2.787 N/A ARG 794.A N ARG 790.A O no hydrogen 3.101 N/A ARG 794.A N MET 791.A O no hydrogen 2.977 N/A ARG 794.A NE ASN 698.A OD1 no hydrogen 3.085 N/A ASN 795.A N MET 791.A O no hydrogen 3.037 N/A ASN 795.A N VAL 792.A O no hydrogen 3.169 N/A ASN 795.A ND2 ASN 698.A O no hydrogen 2.933 N/A ASN 795.A ND2 MET 791.A O no hydrogen 3.036 N/A ILE 796.A N VAL 792.A O no hydrogen 2.983 N/A ALA 797.A N ILE 793.A O no hydrogen 3.051 N/A THR 798.A N ASN 795.A O no hydrogen 2.810 N/A THR 798.A OG1 GLU 693.A O no hydrogen 3.186 N/A SER 799.A N ILE 796.A O no hydrogen 3.236 N/A LYS 801.A NZ GLU 689.A OE1 no hydrogen 2.686 N/A PHE 802.A N SER 799.A O no hydrogen 2.776 N/A SER 803.A N GLY 800.A O no hydrogen 3.295 N/A SER 804.A N ILE 477.A O no hydrogen 2.712 N/A SER 804.A OG SER 137.A OG no hydrogen 2.738 N/A ASP 805.A N SER 803.A OG no hydrogen 2.913 N/A ARG 806.A N SER 803.A O no hydrogen 3.199 N/A ARG 806.A NE LYS 801.A O no hydrogen 2.655 N/A ARG 806.A NH1 THR 474.A O no hydrogen 2.726 N/A ARG 806.A NH1 GLN 810.A OE1 no hydrogen 2.902 N/A ARG 806.A NH2 THR 474.A O no hydrogen 2.889 N/A ARG 806.A NH2 ASN 475.A O no hydrogen 2.940 N/A ARG 806.A NH2 LYS 801.A O no hydrogen 2.734 N/A THR 807.A N SER 803.A O no hydrogen 3.435 N/A THR 807.A OG1 THR 474.A O no hydrogen 2.982 N/A THR 807.A OG1 SER 803.A O no hydrogen 3.374 N/A ILE 808.A N SER 804.A O no hydrogen 2.866 N/A ALA 809.A N ASP 805.A O no hydrogen 2.889 N/A GLN 810.A N ARG 806.A O no hydrogen 2.889 N/A GLN 810.A NE2 GLU 814.A OE2 no hydrogen 3.018 N/A TYR 811.A N THR 807.A O no hydrogen 2.906 N/A ALA 812.A N ILE 808.A O no hydrogen 2.816 N/A ARG 813.A N ALA 809.A O no hydrogen 3.205 N/A ARG 813.A NE GLU 819.A OE1 no hydrogen 3.319 N/A ARG 813.A NE GLU 819.A OE2 no hydrogen 3.420 N/A ARG 813.A NH2 GLU 819.A OE1 no hydrogen 3.190 N/A GLU 814.A N GLN 810.A O no hydrogen 2.923 N/A ILE 815.A N TYR 811.A O no hydrogen 3.053 N/A TRP 816.A N TYR 811.A O no hydrogen 2.858 N/A TRP 816.A NE1 GLN 327.A OE1 no hydrogen 2.975 N/A GLY 817.A N ALA 812.A O no hydrogen 2.656 N/A VAL 818.A N ALA 812.A O no hydrogen 2.912 N/A SER 821.A N LEU 141.A O no hydrogen 2.890 N/A ARG 822.A NH1 THR 140.A O no hydrogen 2.651 N/A ARG 822.A NH1 TYR 224.A O no hydrogen 3.169 N/A ARG 822.A NH2 TYR 224.A O no hydrogen 2.761 N/A LEU 825.A N ASN 226.A O no hydrogen 2.728 N/A GLU 830.A N ASP 829.A OD1 no hydrogen 3.271 N/A LYS 831.A NZ GLU 830.A O no hydrogen 2.517 N/A LYS 831.A NZ LYS 831.A O no hydrogen 2.660 N/A