Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4bqi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N GLY 18.A O no hydrogen 3.012 N/A ASN 7.A N ASN 19.A OD1 no hydrogen 2.831 N/A GLU 9.A N ASN 7.A OD1 no hydrogen 3.092 N/A ALA 10.A N ASN 7.A O no hydrogen 3.130 N/A ASP 11.A N GLU 15.A OE1 no hydrogen 3.090 N/A THR 14.A OG1.B ASP 12.A OD1 no hydrogen 3.130 N/A GLU 15.A N ASP 12.A OD1 no hydrogen 3.013 N/A ILE 16.A N ASP 12.A O no hydrogen 2.897 N/A ALA 17.A N ALA 13.A O no hydrogen 2.851 N/A GLY 18.A N THR 14.A O no hydrogen 3.106 N/A ASN 19.A N GLU 15.A O no hydrogen 3.030 N/A ASN 19.A ND2 SER 47.A OG no hydrogen 2.999 N/A ASN 19.A ND2 ASP 50.A OD2 no hydrogen 2.951 N/A ILE 20.A N ILE 16.A O no hydrogen 2.980 N/A VAL 21.A N ALA 17.A O no hydrogen 3.178 N/A TYR 22.A N GLY 18.A O no hydrogen 2.874 N/A HIS 23.A N ASN 19.A O no hydrogen 3.080 N/A HIS 23.A ND1 SER 27.A OG no hydrogen 3.358 N/A HIS 23.A NE2 ASP 50.A OD2 no hydrogen 2.679 N/A ALA 24.A N ILE 20.A O no hydrogen 2.907 N/A LYS 25.A N VAL 21.A O no hydrogen 3.032 N/A LYS 25.A NZ TYR 26.A OH no hydrogen 3.404 N/A TYR 26.A N TYR 22.A O no hydrogen 2.742 N/A SER 27.A N HIS 23.A O no hydrogen 2.684 N/A SER 27.A OG HIS 23.A ND1 no hydrogen 3.358 N/A HIS 29.A NE2 GLU 46.A OE2 no hydrogen 2.633 N/A LYS 34.A N SER 31.A O no hydrogen 3.346 N/A GLY 36.A N GLN 39.A OE1 no hydrogen 2.820 N/A ALA 40.A N GLY 36.A O no hydrogen 2.793 N/A LEU 41.A N PRO 37.A O no hydrogen 2.825 N/A TYR 42.A N GLU 38.A O no hydrogen 3.126 N/A ALA 43.A N GLN 39.A O no hydrogen 2.983 N/A THR 44.A N ALA 40.A O no hydrogen 2.901 N/A THR 44.A OG1 ALA 40.A O no hydrogen 2.707 N/A ALA 45.A N LEU 41.A O no hydrogen 2.992 N/A GLU 46.A N TYR 42.A O no hydrogen 2.970 N/A SER 47.A N ALA 43.A O no hydrogen 2.921 N/A SER 47.A OG TYR 97.A OH no hydrogen 2.876 N/A LEU 48.A N THR 44.A O no hydrogen 2.985 N/A ARG 49.A N ALA 45.A O no hydrogen 2.847 N/A ARG 49.A NH2 GLU 179.A O no hydrogen 3.063 N/A ASP 50.A N GLU 46.A O no hydrogen 3.156 N/A ARG 51.A NH1 ALA 10.A O no hydrogen 2.883 N/A LEU 52.A N LEU 48.A O no hydrogen 3.033 N/A ILE 53.A N ARG 49.A O no hydrogen 2.715 N/A GLN 54.A N ASP 50.A O no hydrogen 3.268 N/A GLN 54.A NE2 GLU 58.A OE2 no hydrogen 2.740 N/A LEU 55.A N ARG 51.A O no hydrogen 3.121 N/A TRP 56.A N LEU 52.A O no hydrogen 2.852 N/A TRP 56.A NE1 SER 230.A OG no hydrogen 3.089 N/A ASN 57.A N ILE 53.A O no hydrogen 2.887 N/A GLU 58.A N GLN 54.A O no hydrogen 2.929 N/A THR 59.A N LEU 55.A O no hydrogen 2.819 N/A THR 59.A OG1 LEU 55.A O no hydrogen 2.765 N/A THR 59.A OG1 THR 228.A O no hydrogen 3.493 N/A TYR 60.A N TRP 56.A O no hydrogen 2.806 N/A TYR 60.A OH GLU 304.A OE2 no hydrogen 2.652 N/A VAL 61.A N ASN 57.A O no hydrogen 3.005 N/A HIS 62.A N GLU 58.A O no hydrogen 2.965 N/A PHE 63.A N THR 59.A O no hydrogen 2.964 N/A ASN 64.A N TYR 60.A O no hydrogen 2.944 N/A LYS 65.A N VAL 61.A O no hydrogen 2.967 N/A VAL 66.A N HIS 62.A O no hydrogen 2.946 N/A ASP 67.A N PHE 63.A O no hydrogen 2.861 N/A LYS 69.A NZ PRO 315.A O no hydrogen 3.226 N/A LYS 69.A NZ TRP 816.A O no hydrogen 2.858 N/A GLN 70.A N LYS 317.A O no hydrogen 2.967 N/A THR 71.A N PRO 142.A O no hydrogen 2.976 N/A TYR 72.A N ALA 319.A O no hydrogen 2.743 N/A TYR 73.A N TRP 144.A O no hydrogen 2.734 N/A LEU 74.A N GLN 321.A O no hydrogen 2.855 N/A SER 75.A N TYR 146.A O no hydrogen 3.418 N/A SER 75.A OG GLU 77.A O no hydrogen 2.646 N/A GLU 77.A N SER 75.A OG no hydrogen 3.277 N/A TYR 78.A N LEU 120.A O no hydrogen 3.017 N/A TYR 78.A OH TYR 146.A O no hydrogen 2.775 N/A LEU 79.A N GLY 126.A O no hydrogen 2.908 N/A ARG 82.A NE.B GLU 115.A O no hydrogen 2.758 N/A ARG 82.A NH1.A ALA 112.A O no hydrogen 3.547 N/A ARG 82.A NH2.A GLU 644.A OE1 no hydrogen 2.869 N/A ARG 82.A NH2.B GLU 115.A O no hydrogen 3.468 N/A ALA 83.A N GLU 115.A OE2 no hydrogen 2.924 N/A LEU 84.A N GLU 115.A OE1 no hydrogen 3.072 N/A ALA 87.A N ALA 83.A O no hydrogen 2.918 N/A ILE 88.A N LEU 84.A O no hydrogen 2.973 N/A GLY 89.A N THR 85.A O no hydrogen 2.900 N/A ASN 90.A N ASN 86.A O no hydrogen 2.939 N/A ASN 90.A ND2 ASP 134.A OD1 no hydrogen 3.464 N/A LEU 91.A N ALA 87.A O no hydrogen 3.171 N/A ASN 92.A N GLY 89.A O no hydrogen 2.853 N/A LEU 93.A N ILE 88.A O no hydrogen 2.839 N/A GLN 94.A N GLN 94.A OE1 no hydrogen 2.961 N/A TYR 97.A N LEU 93.A O no hydrogen 3.078 N/A TYR 97.A OH SER 47.A OG no hydrogen 2.876 N/A ALA 98.A N GLN 94.A O no hydrogen 3.056 N/A ASP 99.A N GLY 95.A O no hydrogen 2.968 N/A ALA 100.A N PRO 96.A O no hydrogen 2.826 N/A LEU 101.A N TYR 97.A O no hydrogen 3.063 N/A ARG 102.A N ALA 98.A O no hydrogen 3.107 N/A ARG 102.A NE GLU 107.A OE2 no hydrogen 3.477 N/A ARG 102.A NH2 GLU 107.A OE1 no hydrogen 3.108 N/A THR 103.A N ASP 99.A O no hydrogen 2.995 N/A THR 103.A OG1 ALA 100.A O no hydrogen 3.015 N/A LEU 104.A N ALA 100.A O no hydrogen 3.157 N/A GLY 105.A N ARG 102.A O no hydrogen 2.991 N/A TYR 106.A N LEU 101.A O no hydrogen 2.800 N/A TYR 106.A OH PHE 35.A O no hydrogen 2.556 N/A GLU 107.A N GLU 110.A OE2 no hydrogen 2.659 N/A ILE 111.A N GLU 107.A O no hydrogen 3.402 N/A ALA 112.A N LEU 108.A O no hydrogen 2.796 N/A GLU 113.A N GLU 109.A O no hydrogen 3.083 N/A GLU 113.A N GLU 110.A O no hydrogen 3.219 N/A GLN 114.A N ILE 111.A O no hydrogen 2.976 N/A GLU 115.A N ALA 112.A O no hydrogen 3.315 N/A LYS 116.A NZ ASP 170.A OD1 no hydrogen 3.045 N/A ALA 118.A N GLY 81.A O no hydrogen 3.125 N/A LEU 120.A N ALA 118.A O no hydrogen 2.908 N/A ASN 122.A N GLU 77.A OE1 no hydrogen 3.096 N/A GLY 123.A N GLU 77.A OE1 no hydrogen 2.999 N/A GLY 126.A N GLY 123.A O no hydrogen 2.881 N/A ARG 127.A N GLY 123.A O no hydrogen 3.038 N/A ARG 127.A NH1 LEU 79.A O no hydrogen 2.874 N/A LEU 128.A N GLY 124.A O no hydrogen 2.887 N/A ALA 129.A N LEU 125.A O no hydrogen 3.222 N/A SER 130.A N GLY 126.A O no hydrogen 3.052 N/A SER 130.A OG GLN 80.A OE1 no hydrogen 2.627 N/A SER 130.A OG GLY 126.A O no hydrogen 3.201 N/A CYS 131.A N ARG 127.A O no hydrogen 2.799 N/A CYS 131.A SG ARG 127.A O no hydrogen 3.504 N/A PHE 132.A N LEU 128.A O no hydrogen 2.841 N/A LEU 133.A N ALA 129.A O no hydrogen 3.062 N/A ASP 134.A N SER 130.A O no hydrogen 3.256 N/A SER 135.A N CYS 131.A O no hydrogen 3.066 N/A SER 135.A OG SER 804.A OG no hydrogen 2.840 N/A SER 135.A OG ASP 805.A OD1 no hydrogen 2.460 N/A MET 136.A N PHE 132.A O no hydrogen 2.784 N/A ALA 137.A N LEU 133.A O no hydrogen 3.043 N/A THR 138.A N ASP 134.A O no hydrogen 3.033 N/A THR 138.A OG1 ASP 134.A O no hydrogen 2.987 N/A LEU 139.A N SER 135.A O no hydrogen 2.918 N/A ASN 140.A N ALA 137.A O no hydrogen 3.192 N/A LEU 141.A N MET 136.A O no hydrogen 2.987 N/A TRP 144.A N THR 71.A O no hydrogen 2.977 N/A GLY 145.A N SER 230.A O no hydrogen 3.014 N/A TYR 146.A N TYR 73.A O no hydrogen 2.833 N/A TYR 146.A OH ASP 297.A OD2 no hydrogen 2.608 N/A GLY 147.A N ARG 232.A O no hydrogen 3.012 N/A ARG 149.A N TRP 234.A O no hydrogen 2.793 N/A ARG 149.A NE GLU 179.A OE1 no hydrogen 2.879 N/A ARG 149.A NH2 GLU 179.A OE2 no hydrogen 2.765 N/A TYR 150.A OH MET 76.A O no hydrogen 2.643 N/A ARG 151.A N CYS 267.A O no hydrogen 2.826 N/A ARG 151.A NH1.A GLN 264.A O no hydrogen 2.908 N/A ARG 151.A NH1.A THR 268.A OG1 no hydrogen 3.301 N/A ARG 151.A NH2.A THR 268.A OG1 no hydrogen 3.199 N/A ARG 151.A NH2.B GLU 173.A OE2 no hydrogen 3.174 N/A HIS 152.A N THR 268.A O no hydrogen 2.923 N/A HIS 152.A ND1 GLU 169.A O no hydrogen 2.730 N/A LYS 156.A N ILE 167.A O no hydrogen 2.718 N/A GLN 157.A N ASN 637.A OD1 no hydrogen 3.025 N/A GLN 157.A NE2 GLN 164.A OE1 no hydrogen 2.804 N/A GLN 157.A NE2 GLY 597.A O no hydrogen 2.941 N/A ILE 158.A N GLU 165.A O no hydrogen 2.995 N/A THR 160.A N GLY 163.A O no hydrogen 2.854 N/A THR 160.A OG1 GLU 165.A OE2 no hydrogen 2.543 N/A LYS 162.A N THR 160.A OG1 no hydrogen 3.143 N/A GLY 163.A N THR 160.A O no hydrogen 2.757 N/A GLN 164.A NE2 GLU 166.A OE2 no hydrogen 2.966 N/A GLN 164.A NE2 ALA 599.A O no hydrogen 2.611 N/A GLU 165.A N ILE 158.A O no hydrogen 2.957 N/A ILE 167.A N LYS 156.A O no hydrogen 2.929 N/A GLU 169.A N HIS 152.A O no hydrogen 3.144 N/A GLU 173.A N ASP 170.A O no hydrogen 2.949 N/A LYS 174.A NZ GLU 38.A OE1 no hydrogen 3.435 N/A LYS 174.A NZ GLU 38.A OE2 no hydrogen 2.516 N/A TRP 178.A NE1 GLU 115.A OE2 no hydrogen 2.745 N/A ILE 180.A N ASP 217.A O no hydrogen 2.823 N/A ARG 182.A N ALA 215.A O no hydrogen 2.931 N/A ARG 182.A NE ASP 217.A OD2 no hydrogen 2.727 N/A ARG 182.A NH2 ASP 217.A OD2 no hydrogen 3.459 N/A VAL 185.A N ARG 182.A O no hydrogen 2.873 N/A PHE 187.A N ALA 213.A O no hydrogen 2.934 N/A VAL 189.A N VAL 211.A O no hydrogen 2.834 N/A ARG 190.A NH1 ASP 207.A O no hydrogen 2.678 N/A PHE 191.A N ASP 209.A O no hydrogen 2.858 N/A PHE 192.A N LEU 380.A O no hydrogen 2.778 N/A LYS 194.A N VAL 206.A O no hydrogen 3.027 N/A GLN 196.A N LYS 204.A O no hydrogen 2.776 N/A GLN 196.A NE2 ASN 198.A OD1 no hydrogen 2.624 N/A ASN 198.A N SER 202.A O no hydrogen 2.849 N/A ASN 198.A ND2 SER 202.A OG no hydrogen 3.069 N/A GLY 201.A N ASN 198.A O no hydrogen 2.932 N/A SER 202.A N ASP 200.A OD1 no hydrogen 2.977 N/A SER 202.A OG ASP 200.A OD1 no hydrogen 2.433 N/A SER 202.A OG ASP 200.A OD2 no hydrogen 3.420 N/A ARG 203.A NE GLU 386.A OE1 no hydrogen 2.804 N/A ARG 203.A NH2 GLU 386.A OE1 no hydrogen 3.390 N/A ARG 203.A NH2 GLU 386.A OE2 no hydrogen 2.723 N/A LYS 204.A N GLN 196.A O no hydrogen 2.823 N/A TRP 205.A NE1 PHE 192.A O no hydrogen 2.692 N/A VAL 206.A N LYS 194.A O no hydrogen 2.910 N/A ASP 209.A N PHE 191.A O no hydrogen 2.897 N/A VAL 211.A N VAL 189.A O no hydrogen 2.851 N/A GLN 212.A N LYS 237.A O no hydrogen 2.711 N/A ALA 213.A N PHE 187.A O no hydrogen 2.661 N/A LEU 214.A N GLU 235.A O no hydrogen 2.895 N/A ALA 215.A N VAL 185.A O no hydrogen 3.188 N/A TYR 216.A N LEU 233.A O no hydrogen 2.860 N/A TYR 216.A OH GLU 235.A OE1 no hydrogen 2.774 N/A ASP 217.A N ILE 180.A O no hydrogen 2.797 N/A VAL 218.A N LEU 231.A O no hydrogen 2.871 N/A ILE 220.A N ILE 229.A O no hydrogen 2.691 N/A GLY 222.A N ASN 227.A O no hydrogen 3.012 N/A TYR 223.A N THR 138.A OG1 no hydrogen 2.851 N/A THR 225.A OG1 ASN 140.A OD1 no hydrogen 2.425 N/A THR 225.A OG1 ASN 227.A OD1 no hydrogen 3.435 N/A LYS 226.A NZ GLU 58.A OE1 no hydrogen 2.676 N/A LYS 226.A NZ PRO 824.A O no hydrogen 2.808 N/A LYS 226.A NZ PRO 824.A OXT no hydrogen 3.480 N/A ASN 227.A N THR 225.A OG1 no hydrogen 3.304 N/A ASN 227.A ND2 CYS 821.A O no hydrogen 2.948 N/A THR 228.A N THR 59.A OG1 no hydrogen 2.980 N/A THR 228.A OG1 LYS 226.A O no hydrogen 3.002 N/A ILE 229.A N ILE 220.A O no hydrogen 3.085 N/A SER 230.A OG ASP 217.A OD1 no hydrogen 2.634 N/A LEU 231.A N VAL 218.A O no hydrogen 3.042 N/A ARG 232.A N GLY 145.A O no hydrogen 2.854 N/A ARG 232.A NE ASP 217.A OD1 no hydrogen 2.909 N/A ARG 232.A NH1 ASP 297.A OD2 no hydrogen 2.924 N/A ARG 232.A NH2 ASP 217.A OD1 no hydrogen 3.519 N/A ARG 232.A NH2 ASP 217.A OD2 no hydrogen 2.829 N/A LEU 233.A N TYR 216.A O no hydrogen 2.800 N/A TRP 234.A N GLY 147.A O no hydrogen 2.814 N/A TRP 234.A NE1 SER 294.A OG no hydrogen 3.124 N/A GLU 235.A N LEU 214.A O no hydrogen 2.850 N/A LYS 237.A N GLN 212.A O no hydrogen 2.800 N/A ARG 239.A N ASP 242.A OD2 no hydrogen 2.904 N/A ARG 239.A NH2 ASP 242.A OD1 no hydrogen 3.260 N/A ASP 242.A N ARG 239.A O no hydrogen 2.951 N/A LEU 243.A N ALA 240.A O no hydrogen 3.000 N/A ASP 244.A N ALA 256.A O no hydrogen 3.071 N/A GLN 247.A N ASP 244.A OD1 no hydrogen 2.996 N/A PHE 248.A N ASP 244.A O no hydrogen 3.004 N/A ASN 249.A N LEU 245.A O no hydrogen 2.771 N/A GLU 250.A N PHE 246.A O no hydrogen 3.023 N/A GLU 250.A N GLN 247.A O no hydrogen 3.109 N/A GLY 251.A N PHE 248.A O no hydrogen 3.077 N/A GLU 252.A N GLN 247.A O no hydrogen 3.019 N/A ALA 256.A N GLU 252.A O no hydrogen 2.925 N/A ALA 257.A N TYR 253.A O no hydrogen 3.178 N/A GLN 258.A N LEU 255.A O no hydrogen 3.327 N/A SER 261.A N ALA 257.A O no hydrogen 2.907 N/A SER 261.A OG ALA 257.A O no hydrogen 3.417 N/A ARG 262.A N GLN 258.A O no hydrogen 2.883 N/A ARG 262.A NH2 ASP 209.A OD1 no hydrogen 3.126 N/A ARG 262.A NH2 ASP 209.A OD2 no hydrogen 2.555 N/A ALA 263.A N LEU 259.A O no hydrogen 2.821 N/A GLN 264.A N HIS 260.A O no hydrogen 2.871 N/A GLN 264.A NE2 HIS 260.A O no hydrogen 3.609 N/A GLN 265.A N SER 261.A O no hydrogen 2.986 N/A ILE 266.A N ALA 263.A O no hydrogen 3.215 N/A CYS 267.A N GLN 264.A O no hydrogen 3.246 N/A CYS 267.A SG TRP 234.A O no hydrogen 3.687 N/A THR 268.A N GLN 265.A O no hydrogen 3.249 N/A THR 268.A OG1 GLN 264.A O no hydrogen 2.705 N/A LEU 270.A N GLY 153.A O no hydrogen 2.859 N/A TYR 271.A OH GLU 77.A OE2 no hydrogen 2.628 N/A GLY 279.A N THR 276.A O no hydrogen 3.195 N/A GLY 279.A N THR 276.A OG1 no hydrogen 3.349 N/A LYS 280.A N THR 276.A O no hydrogen 3.150 N/A LYS 280.A NZ ASP 274.A O no hydrogen 2.808 N/A LEU 281.A N GLU 277.A O no hydrogen 2.917 N/A LEU 282.A N ASN 278.A O no hydrogen 2.964 N/A ARG 283.A N GLY 279.A O no hydrogen 2.969 N/A ARG 283.A NE PRO 272.A O no hydrogen 2.893 N/A ARG 283.A NH2 PRO 272.A O no hydrogen 3.432 N/A LEU 284.A N LYS 280.A O no hydrogen 3.016 N/A LYS 285.A N LEU 281.A O no hydrogen 2.932 N/A GLN 286.A N LEU 282.A O no hydrogen 2.975 N/A GLN 286.A NE2 ILE 266.A O no hydrogen 2.824 N/A GLN 286.A NE2 VAL 269.A O no hydrogen 2.862 N/A GLN 287.A N ARG 283.A O no hydrogen 3.181 N/A GLN 287.A NE2 GLU 370.A OE2 no hydrogen 3.024 N/A PHE 288.A N LEU 284.A O no hydrogen 2.918 N/A PHE 289.A N LYS 285.A O no hydrogen 2.878 N/A LEU 290.A N GLN 286.A O no hydrogen 3.077 N/A CYS 291.A N GLN 287.A O no hydrogen 3.086 N/A CYS 291.A SG GLN 287.A O no hydrogen 3.244 N/A CYS 291.A SG PRO 327.A O no hydrogen 3.494 N/A SER 292.A N PHE 288.A O no hydrogen 2.770 N/A SER 292.A OG GLU 333.A OE2 no hydrogen 2.633 N/A ALA 293.A N PHE 289.A O no hydrogen 3.163 N/A SER 294.A N LEU 290.A O no hydrogen 3.018 N/A SER 294.A OG LEU 290.A O no hydrogen 2.600 N/A LEU 295.A N CYS 291.A O no hydrogen 2.971 N/A GLN 296.A N SER 292.A O no hydrogen 3.003 N/A GLN 296.A NE2 PRO 188.A O no hydrogen 2.957 N/A GLN 296.A NE2 SER 292.A O no hydrogen 3.348 N/A GLN 296.A NE2 SER 292.A OG no hydrogen 2.895 N/A ASP 297.A N ALA 293.A O no hydrogen 3.108 N/A ILE 298.A N SER 294.A O no hydrogen 2.958 N/A ILE 299.A N LEU 295.A O no hydrogen 2.940 N/A SER 300.A N GLN 296.A O no hydrogen 3.017 N/A ARG 301.A N ASP 297.A O no hydrogen 2.968 N/A ARG 301.A NE TYR 60.A OH no hydrogen 3.048 N/A ARG 301.A NH1 TYR 72.A OH no hydrogen 3.133 N/A ARG 301.A NH1 TYR 146.A OH no hydrogen 3.131 N/A ARG 301.A NH2 ASP 297.A OD2 no hydrogen 2.872 N/A PHE 302.A N ILE 298.A O no hydrogen 2.920 N/A HIS 303.A N ILE 299.A O no hydrogen 3.121 N/A GLU 304.A N SER 300.A O no hydrogen 3.046 N/A ARG 305.A N ARG 301.A O no hydrogen 3.193 N/A ARG 305.A N PHE 302.A O no hydrogen 3.387 N/A ARG 305.A NH1 GLN 70.A OE1 no hydrogen 2.818 N/A ARG 305.A NH2 GLN 70.A OE1 no hydrogen 2.653 N/A SER 306.A N HIS 303.A O no hydrogen 2.980 N/A THR 308.A OG1 SER 306.A OG no hydrogen 2.822 N/A ARG 309.A NE GLU 313.A OE1 no hydrogen 3.067 N/A ARG 309.A NH1 ASP 67.A OD1 no hydrogen 3.022 N/A ARG 309.A NH1 PHE 302.A O no hydrogen 2.981 N/A ARG 309.A NH2 ASP 67.A OD1 no hydrogen 3.474 N/A ARG 309.A NH2 ASP 67.A OD2 no hydrogen 2.798 N/A ARG 309.A NH2 GLU 313.A OE1 no hydrogen 3.027 N/A GLU 313.A N LYS 310.A O no hydrogen 3.183 N/A PHE 314.A N TRP 311.A O no hydrogen 2.939 N/A SER 316.A N GLU 313.A O no hydrogen 2.939 N/A LYS 317.A N PHE 314.A O no hydrogen 2.932 N/A LYS 317.A NZ ASP 67.A O no hydrogen 2.763 N/A LYS 317.A NZ ASP 67.A OD2 no hydrogen 3.554 N/A VAL 318.A N PHE 314.A O no hydrogen 2.831 N/A ALA 319.A N GLN 70.A O no hydrogen 3.055 N/A VAL 320.A N THR 356.A O no hydrogen 2.800 N/A GLN 321.A N TYR 72.A O no hydrogen 2.945 N/A GLN 321.A NE2 THR 360.A OG1 no hydrogen 2.718 N/A MET 322.A N ALA 358.A O no hydrogen 2.918 N/A ASN 323.A N LEU 74.A O no hydrogen 3.006 N/A ASN 323.A ND2 SER 75.A OG no hydrogen 2.986 N/A ASN 323.A ND2 LEU 125.A O no hydrogen 3.417 N/A ASP 324.A N THR 360.A O no hydrogen 2.891 N/A THR 325.A N ASP 324.A OD1 no hydrogen 2.697 N/A THR 325.A OG1 GLU 370.A OE1 no hydrogen 2.799 N/A THR 328.A N THR 325.A O no hydrogen 2.955 N/A THR 328.A OG1 THR 325.A O no hydrogen 2.407 N/A ALA 330.A N PRO 327.A O no hydrogen 2.902 N/A ILE 331.A N THR 328.A O no hydrogen 3.022 N/A GLU 333.A N LEU 329.A O no hydrogen 2.859 N/A LEU 334.A N ALA 330.A O no hydrogen 2.786 N/A MET 335.A N ILE 331.A O no hydrogen 3.168 N/A ARG 336.A N PRO 332.A O no hydrogen 2.857 N/A ARG 336.A NE GLU 333.A OE1 no hydrogen 2.732 N/A ARG 336.A NH2 GLU 333.A OE1 no hydrogen 3.545 N/A ARG 336.A NH2 GLU 333.A OE2 no hydrogen 2.933 N/A LEU 337.A N GLU 333.A O no hydrogen 2.838 N/A LEU 338.A N LEU 334.A O no hydrogen 2.960 N/A MET 339.A N MET 335.A O no hydrogen 2.867 N/A ASP 340.A N ARG 336.A O no hydrogen 2.800 N/A ASN 342.A N LEU 337.A O no hydrogen 2.962 N/A ASN 342.A ND2 LEU 337.A O no hydrogen 2.825 N/A LEU 344.A N LEU 338.A O no hydrogen 2.965 N/A ALA 349.A N GLY 345.A O no hydrogen 3.046 N/A TRP 350.A N TRP 346.A O no hydrogen 2.954 N/A ASP 351.A N ASP 347.A O no hydrogen 3.056 N/A VAL 352.A N GLU 348.A O no hydrogen 3.062 N/A THR 353.A N ALA 349.A O no hydrogen 2.818 N/A THR 353.A OG1 ALA 349.A O no hydrogen 2.746 N/A SER 354.A N TRP 350.A O no hydrogen 2.815 N/A SER 354.A OG TRP 350.A O no hydrogen 2.609 N/A SER 354.A OG ASP 351.A O no hydrogen 3.386 N/A LYS 355.A N ASP 351.A O no hydrogen 3.387 N/A LYS 355.A NZ ASP 351.A OD1 no hydrogen 2.756 N/A LYS 355.A NZ ASP 351.A OD2 no hydrogen 2.698 N/A THR 356.A N THR 353.A O no hydrogen 3.108 N/A THR 356.A OG1 VAL 352.A O no hydrogen 2.735 N/A VAL 357.A N THR 353.A O no hydrogen 3.117 N/A ALA 358.A N VAL 320.A O no hydrogen 2.988 N/A TYR 359.A N THR 437.A O no hydrogen 3.060 N/A THR 360.A N MET 322.A O no hydrogen 3.006 N/A THR 360.A OG1 ASN 439.A OD1 no hydrogen 2.671 N/A ASN 361.A N ASN 439.A O no hydrogen 2.878 N/A ASN 361.A ND2 TYR 359.A OH no hydrogen 2.976 N/A HIS 362.A NE2 ASN 323.A OD1 no hydrogen 2.709 N/A THR 363.A N ASN 361.A OD1 no hydrogen 2.859 N/A THR 363.A OG1 LEU 365.A O no hydrogen 3.360 N/A LEU 365.A N THR 363.A OG1 no hydrogen 3.266 N/A ALA 368.A N LEU 365.A O no hydrogen 2.920 N/A LEU 369.A N PRO 366.A O no hydrogen 3.245 N/A LYS 371.A NZ LEU 369.A O no hydrogen 3.456 N/A TRP 372.A N VAL 425.A O no hydrogen 3.045 N/A GLN 374.A N PRO 423.A O no hydrogen 3.049 N/A GLN 374.A NE2 ASN 418.A OD1 no hydrogen 3.051 N/A GLN 374.A NE2 VAL 424.A O no hydrogen 3.093 N/A SER 375.A OG.B SER 373.A OG no hydrogen 2.739 N/A LEU 376.A N SER 373.A OG no hydrogen 3.117 N/A MET 377.A N SER 373.A O no hydrogen 3.141 N/A TRP 378.A N GLN 374.A O no hydrogen 2.938 N/A LYS 379.A N SER 375.A O no hydrogen 3.005 N/A LEU 380.A N LEU 376.A O no hydrogen 3.003 N/A LEU 381.A N MET 377.A O no hydrogen 2.845 N/A ARG 383.A NE ASP 340.A OD2 no hydrogen 2.731 N/A ARG 383.A NH1 GLU 386.A OE1 no hydrogen 2.886 N/A ARG 383.A NH2 ASP 340.A OD1 no hydrogen 2.892 N/A ARG 383.A NH2 ASP 340.A OD2 no hydrogen 3.564 N/A HIS 384.A NE2 GLU 333.A OE1 no hydrogen 2.694 N/A MET 385.A N LEU 381.A O no hydrogen 3.074 N/A GLU 386.A N PRO 382.A O no hydrogen 3.052 N/A ILE 387.A N ARG 383.A O no hydrogen 3.133 N/A ILE 388.A N HIS 384.A O no hydrogen 2.757 N/A GLU 389.A N MET 385.A O no hydrogen 2.878 N/A GLU 390.A N GLU 386.A O no hydrogen 3.197 N/A ILE 391.A N ILE 387.A O no hydrogen 2.919 N/A ASP 392.A N ILE 388.A O no hydrogen 2.937 N/A LYS 393.A N GLU 389.A O no hydrogen 2.827 N/A ARG 394.A N GLU 390.A O no hydrogen 3.057 N/A ARG 394.A NE GLU 390.A OE2 no hydrogen 2.893 N/A ARG 394.A NH1 ASP 347.A OD1 no hydrogen 3.282 N/A ARG 394.A NH2 GLU 390.A OE2 no hydrogen 3.548 N/A PHE 395.A N ILE 391.A O no hydrogen 2.916 N/A VAL 396.A N ASP 392.A O no hydrogen 2.957 N/A GLN 397.A N LYS 393.A O no hydrogen 2.944 N/A GLN 397.A NE2 ASP 401.A OD1 no hydrogen 2.470 N/A THR 398.A N ARG 394.A O no hydrogen 2.839 N/A THR 398.A OG1 ARG 394.A O no hydrogen 3.007 N/A ILE 399.A N PHE 395.A O no hydrogen 3.043 N/A ARG 400.A N VAL 396.A O no hydrogen 2.977 N/A ASP 401.A N GLN 397.A O no hydrogen 2.771 N/A THR 402.A N THR 398.A O no hydrogen 2.885 N/A THR 402.A OG1 THR 398.A O no hydrogen 2.628 N/A ARG 403.A N ILE 399.A O no hydrogen 2.873 N/A ARG 403.A NE ASP 405.A OD1 no hydrogen 2.879 N/A ARG 403.A NH1 SER 459.A O no hydrogen 3.197 N/A ARG 403.A NH1 SER 459.A OG no hydrogen 3.014 N/A ARG 403.A NH2 ASP 405.A OD2 no hydrogen 2.760 N/A ARG 403.A NH2 SER 459.A OG no hydrogen 2.900 N/A LEU 406.A N ARG 403.A O no hydrogen 2.866 N/A GLU 407.A N VAL 404.A O no hydrogen 3.251 N/A LYS 409.A N LEU 406.A O no hydrogen 2.808 N/A LYS 409.A NZ ASP 456.A OD1 no hydrogen 2.982 N/A ILE 410.A N GLU 407.A O no hydrogen 3.333 N/A SER 412.A N LYS 409.A O no hydrogen 2.899 N/A SER 412.A OG LYS 409.A O no hydrogen 2.861 N/A LEU 413.A N LYS 409.A O no hydrogen 2.882 N/A SER 414.A N ILE 410.A O no hydrogen 2.897 N/A SER 414.A OG ILE 410.A O no hydrogen 3.122 N/A SER 414.A OG LEU 416.A O no hydrogen 2.837 N/A ILE 415.A N ASP 392.A OD1 no hydrogen 2.717 N/A LEU 416.A N ASP 392.A OD2 no hydrogen 2.917 N/A ASP 417.A N VAL 424.A O no hydrogen 2.842 N/A ASN 419.A N ASP 417.A OD1 no hydrogen 2.964 N/A GLN 421.A N ASN 419.A OD1 no hydrogen 3.127 N/A LYS 422.A N ASN 419.A O no hydrogen 3.269 N/A VAL 424.A N ASP 417.A O no hydrogen 2.893 N/A VAL 425.A N TRP 372.A O no hydrogen 2.723 N/A ARG 426.A N ILE 415.A O no hydrogen 2.694 N/A ARG 426.A NE SER 414.A O no hydrogen 3.121 N/A ARG 426.A NH1 SER 411.A O no hydrogen 3.441 N/A ARG 426.A NH2 SER 411.A O no hydrogen 2.689 N/A ARG 426.A NH2 SER 414.A O no hydrogen 2.875 N/A MET 427.A N GLU 370.A O no hydrogen 2.962 N/A ASN 429.A ND2 SER 412.A O no hydrogen 3.204 N/A ASN 429.A ND2 SER 414.A O no hydrogen 2.843 N/A LEU 430.A N ARG 426.A O no hydrogen 3.143 N/A CYS 431.A N MET 427.A O no hydrogen 2.960 N/A CYS 431.A SG THR 328.A OG1 no hydrogen 3.086 N/A CYS 431.A SG MET 427.A O no hydrogen 3.347 N/A VAL 432.A N ALA 428.A O no hydrogen 2.844 N/A VAL 433.A N ASN 429.A O no hydrogen 2.882 N/A SER 434.A N LEU 430.A O no hydrogen 3.077 N/A SER 434.A OG LEU 430.A O no hydrogen 2.707 N/A SER 435.A N CYS 431.A O no hydrogen 3.004 N/A SER 435.A OG CYS 431.A O no hydrogen 2.621 N/A HIS 436.A N VAL 357.A O no hydrogen 3.092 N/A THR 437.A OG1 HIS 436.A ND1 no hydrogen 2.932 N/A VAL 438.A N LYS 464.A O no hydrogen 2.947 N/A ASN 439.A N TYR 359.A O no hydrogen 2.937 N/A ASN 439.A ND2 GLY 440.A O no hydrogen 2.868 N/A ASN 439.A ND2 TYR 811.A OH no hydrogen 3.117 N/A GLY 440.A N GLN 466.A O no hydrogen 3.280 N/A VAL 441.A N HIS 445.A ND1 no hydrogen 3.074 N/A GLN 443.A N GLU 688.A OE2 no hydrogen 3.140 N/A GLN 443.A NE2 GLN 443.A O no hydrogen 2.909 N/A HIS 445.A NE2 ASN 361.A OD1 no hydrogen 2.970 N/A HIS 445.A NE2 THR 363.A O no hydrogen 3.032 N/A SER 446.A N ALA 442.A O no hydrogen 2.738 N/A SER 446.A OG ALA 442.A O no hydrogen 3.312 N/A SER 446.A OG GLN 466.A O no hydrogen 3.565 N/A SER 446.A OG ASN 467.A OD1 no hydrogen 2.647 N/A ASP 447.A N GLN 443.A O no hydrogen 2.885 N/A ILE 448.A N LEU 444.A O no hydrogen 2.900 N/A LEU 449.A N HIS 445.A O no hydrogen 2.960 N/A LYS 450.A N SER 446.A O no hydrogen 3.204 N/A ALA 451.A N ASP 447.A O no hydrogen 2.905 N/A GLU 452.A N ILE 448.A O no hydrogen 2.956 N/A LEU 453.A N ILE 448.A O no hydrogen 3.258 N/A PHE 454.A N LEU 449.A O no hydrogen 2.831 N/A TYR 457.A OH LEU 413.A O no hydrogen 2.581 N/A VAL 458.A N PHE 454.A O no hydrogen 3.032 N/A SER 459.A N ALA 455.A O no hydrogen 3.068 N/A ILE 460.A N ASP 456.A O no hydrogen 3.214 N/A TRP 461.A N TYR 457.A O no hydrogen 2.877 N/A LYS 464.A N TRP 461.A O no hydrogen 3.175 N/A LYS 464.A NZ VAL 432.A O no hydrogen 2.731 N/A LYS 464.A NZ SER 435.A O no hydrogen 2.845 N/A GLN 466.A N VAL 438.A O no hydrogen 2.832 N/A GLN 466.A NE2 GLU 814.A O no hydrogen 3.116 N/A ASN 467.A ND2 THR 469.A OG1 no hydrogen 3.041 N/A LYS 468.A N GLY 440.A O no hydrogen 3.031 N/A LYS 468.A NZ GLN 466.A OE1 no hydrogen 2.791 N/A LYS 468.A NZ ASN 467.A O no hydrogen 2.779 N/A LYS 468.A NZ GLU 814.A OE1 no hydrogen 2.735 N/A THR 469.A OG1 GLU 688.A OE1 no hydrogen 3.390 N/A ASN 470.A N VAL 441.A O no hydrogen 3.032 N/A ASN 470.A ND2 SER 664.A OG no hydrogen 3.038 N/A ILE 472.A N PHE 802.A O no hydrogen 2.685 N/A THR 473.A OG1 ASP 134.A OD2 no hydrogen 2.600 N/A ARG 475.A N THR 473.A OG1 no hydrogen 3.103 N/A ARG 475.A NE ASP 134.A OD2 no hydrogen 3.160 N/A ARG 475.A NH1 ILE 499.A O no hydrogen 2.966 N/A ARG 475.A NH1 ASP 805.A OD1 no hydrogen 3.541 N/A ARG 475.A NH1 ASP 805.A OD2 no hydrogen 2.743 N/A ARG 475.A NH2 ASP 134.A OD2 no hydrogen 2.855 N/A ARG 475.A NH2 ASP 805.A OD1 no hydrogen 2.865 N/A ARG 475.A NH2 ASP 805.A OD2 no hydrogen 3.523 N/A ARG 476.A NH1 ARG 82.A O no hydrogen 3.068 N/A ARG 476.A NH1 GLU 644.A OE2 no hydrogen 2.594 N/A ARG 476.A NH2 ARG 82.A O no hydrogen 2.951 N/A TRP 477.A N THR 473.A O no hydrogen 3.229 N/A LEU 478.A N ARG 475.A O no hydrogen 3.390 N/A ARG 479.A N PRO 474.A O no hydrogen 2.902 N/A ARG 479.A NH1 ARG 479.A O no hydrogen 3.136 N/A PHE 480.A N ARG 475.A O no hydrogen 2.958 N/A CYS 481.A SG ARG 476.A O no hydrogen 3.370 N/A CYS 481.A SG SER 482.A OG.A no hydrogen 3.576 N/A SER 482.A N LEU 478.A O no hydrogen 2.890 N/A SER 482.A OG.A ASN 674.A OD1 no hydrogen 2.685 N/A SER 486.A N SER 482.A O no hydrogen 3.016 N/A SER 486.A OG LEU 478.A O no hydrogen 2.982 N/A SER 486.A OG SER 482.A O no hydrogen 2.920 N/A ASP 487.A N PRO 483.A O no hydrogen 2.954 N/A ILE 488.A N GLU 484.A O no hydrogen 3.084 N/A ILE 489.A N LEU 485.A O no hydrogen 2.999 N/A THR 490.A N SER 486.A O no hydrogen 2.980 N/A THR 490.A OG1 SER 486.A O no hydrogen 3.216 N/A LYS 491.A N ASP 487.A O no hydrogen 3.060 N/A LYS 491.A NZ GLU 520.A OE1 no hydrogen 3.258 N/A LYS 491.A NZ GLU 520.A OE2 no hydrogen 2.839 N/A TRP 492.A N ILE 488.A O no hydrogen 3.039 N/A TRP 492.A NE1 GLU 520.A OE1 no hydrogen 3.027 N/A LEU 493.A N ILE 489.A O no hydrogen 2.855 N/A THR 495.A N THR 490.A O no hydrogen 3.140 N/A LYS 497.A N THR 495.A OG1 no hydrogen 3.021 N/A TRP 498.A NE1 THR 490.A OG1 no hydrogen 2.942 N/A ILE 499.A N ASP 496.A O no hydrogen 3.242 N/A THR 500.A N LYS 497.A O no hydrogen 3.195 N/A THR 500.A OG1 LYS 497.A O no hydrogen 3.407 N/A ASP 501.A N TRP 498.A O no hydrogen 3.247 N/A LEU 504.A N ASP 501.A O no hydrogen 2.957 N/A LEU 505.A N LEU 502.A O no hydrogen 2.968 N/A THR 506.A N ASP 503.A O no hydrogen 3.303 N/A THR 506.A OG1 ASP 503.A O no hydrogen 3.170 N/A GLY 507.A N LEU 504.A O no hydrogen 3.074 N/A LEU 508.A N LEU 505.A O no hydrogen 2.930 N/A ARG 509.A N THR 506.A O no hydrogen 2.974 N/A GLN 510.A NE2 GLY 507.A O no hydrogen 2.850 N/A PHE 511.A N LEU 508.A O no hydrogen 2.936 N/A ALA 512.A N ARG 509.A O no hydrogen 3.090 N/A ASN 514.A N PHE 511.A O no hydrogen 2.922 N/A LEU 517.A N ASN 514.A OD1 no hydrogen 3.030 N/A GLN 518.A N ASN 514.A O no hydrogen 2.943 N/A GLN 518.A NE2 ALA 512.A O no hydrogen 2.882 N/A SER 519.A N GLU 515.A O no hydrogen 2.911 N/A GLU 520.A N GLU 516.A O no hydrogen 2.980 N/A TRP 521.A N LEU 517.A O no hydrogen 2.781 N/A TRP 521.A NE1 SER 792.A OG no hydrogen 2.872 N/A ALA 522.A N GLN 518.A O no hydrogen 2.852 N/A SER 523.A N SER 519.A O no hydrogen 2.960 N/A SER 523.A OG.A SER 519.A O no hydrogen 3.307 N/A ALA 524.A N GLU 520.A O no hydrogen 2.933 N/A LYS 525.A N TRP 521.A O no hydrogen 2.975 N/A LYS 525.A NZ PRO 648.A O no hydrogen 3.020 N/A LYS 525.A NZ SER 650.A O no hydrogen 2.776 N/A LYS 525.A NZ ASN 674.A O no hydrogen 2.865 N/A THR 526.A N ALA 522.A O no hydrogen 2.893 N/A THR 526.A OG1 ALA 522.A O no hydrogen 2.951 N/A ALA 527.A N SER 523.A O no hydrogen 2.974 N/A ASN 528.A N ALA 524.A O no hydrogen 3.160 N/A ASN 528.A ND2 PRO 648.A O no hydrogen 3.314 N/A LYS 529.A N LYS 525.A O no hydrogen 2.856 N/A LYS 529.A NZ PRO 546.A O no hydrogen 2.853 N/A LYS 529.A NZ SER 548.A O no hydrogen 2.760 N/A LYS 529.A NZ GLU 651.A OE1 no hydrogen 2.995 N/A LYS 529.A NZ GLU 651.A OE2 no hydrogen 3.210 N/A LYS 529.A NZ TYR 782.A OH no hydrogen 3.538 N/A LYS 530.A N THR 526.A O no hydrogen 2.946 N/A ARG 531.A N ALA 527.A O no hydrogen 3.098 N/A ARG 531.A NH2 ASN 528.A OD1 no hydrogen 2.946 N/A LEU 532.A N ASN 528.A O no hydrogen 2.914 N/A ALA 533.A N LYS 529.A O no hydrogen 2.714 N/A GLN 534.A N LYS 530.A O no hydrogen 3.007 N/A TYR 535.A N ARG 531.A O no hydrogen 3.083 N/A ILE 536.A N LEU 532.A O no hydrogen 2.919 N/A GLU 537.A N ALA 533.A O no hydrogen 3.008 N/A ARG 538.A N GLN 534.A O no hydrogen 2.882 N/A VAL 539.A N TYR 535.A O no hydrogen 2.857 N/A THR 540.A N ILE 536.A O no hydrogen 2.756 N/A THR 540.A OG1 ILE 536.A O no hydrogen 2.877 N/A GLY 541.A N GLU 537.A O no hydrogen 2.711 N/A VAL 542.A N THR 540.A OG1 no hydrogen 3.063 N/A THR 547.A N ASP 545.A OD1 no hydrogen 2.807 N/A THR 547.A OG1 ASP 545.A OD1 no hydrogen 2.601 N/A THR 547.A OG1 ASP 545.A OD2 no hydrogen 3.212 N/A SER 548.A N ASP 545.A O no hydrogen 2.906 N/A SER 548.A OG ASP 545.A O no hydrogen 2.362 N/A SER 548.A OG THR 592.A OG1 no hydrogen 2.831 N/A LEU 549.A N PRO 590.A O no hydrogen 2.998 N/A PHE 550.A N GLU 651.A OE1 no hydrogen 2.924 N/A ASP 551.A N THR 592.A O no hydrogen 3.022 N/A ILE 552.A N LEU 652.A O no hydrogen 2.926 N/A GLN 553.A N MET 594.A O no hydrogen 2.837 N/A GLN 553.A NE2 LYS 561.A O no hydrogen 3.232 N/A LYS 555.A N GLY 596.A O no hydrogen 3.336 N/A LYS 555.A NZ HIS 655.A ND1 no hydrogen 3.062 N/A LYS 555.A NZ ASN 668.A OD1 no hydrogen 3.488 N/A ILE 557.A N LYS 598.A O no hydrogen 2.919 N/A HIS 558.A N GLN 563.A OE1 no hydrogen 3.090 N/A GLU 559.A N TYR 603.A OH no hydrogen 2.987 N/A TYR 560.A N HIS 558.A ND1 no hydrogen 3.191 N/A LYS 561.A N HIS 558.A O no hydrogen 3.041 N/A LYS 561.A NZ GLU 662.A OE1 no hydrogen 3.367 N/A LYS 561.A NZ GLU 662.A OE2 no hydrogen 2.495 N/A ARG 562.A N HIS 558.A O no hydrogen 3.310 N/A ARG 562.A NE ILE 656.A O no hydrogen 2.815 N/A ARG 562.A NH1 PHE 762.A O no hydrogen 3.033 N/A ARG 562.A NH1 ASP 767.A OD2 no hydrogen 2.671 N/A ARG 562.A NH2 ILE 656.A O no hydrogen 2.869 N/A ARG 562.A NH2 ASP 767.A OD2 no hydrogen 3.005 N/A GLN 563.A NE2 ARG 556.A O no hydrogen 2.822 N/A ASN 566.A N ARG 562.A O no hydrogen 3.227 N/A ASN 566.A ND2 GLN 553.A OE1 no hydrogen 3.199 N/A ILE 567.A N GLN 563.A O no hydrogen 2.877 N/A LEU 568.A N LEU 564.A O no hydrogen 2.955 N/A GLY 569.A N MET 565.A O no hydrogen 2.949 N/A VAL 570.A N ASN 566.A O no hydrogen 2.873 N/A VAL 571.A N ILE 567.A O no hydrogen 2.886 N/A TYR 572.A N LEU 568.A O no hydrogen 3.052 N/A ARG 573.A N GLY 569.A O no hydrogen 2.948 N/A PHE 574.A N VAL 570.A O no hydrogen 2.824 N/A LYS 575.A N VAL 571.A O no hydrogen 2.950 N/A LYS 575.A NZ GLU 579.A OE2 no hydrogen 3.095 N/A LYS 575.A NZ GLU 728.A OE2 no hydrogen 2.544 N/A LYS 576.A N TYR 572.A O no hydrogen 2.965 N/A LYS 576.A NZ GLU 579.A OE1 no hydrogen 2.814 N/A LYS 576.A NZ GLU 728.A OE2 no hydrogen 2.915 N/A LEU 577.A N ARG 573.A O no hydrogen 2.892 N/A LYS 578.A N PHE 574.A O no hydrogen 2.863 N/A LYS 578.A NZ ASP 623.A OD1 no hydrogen 3.519 N/A LYS 578.A NZ ASP 623.A OD2 no hydrogen 2.823 N/A LYS 578.A NZ GLU 625.A OE1 no hydrogen 3.274 N/A GLU 579.A N LYS 575.A O no hydrogen 3.031 N/A MET 580.A N LYS 576.A O no hydrogen 3.042 N/A LYS 581.A N GLU 584.A OE1 no hydrogen 2.975 N/A GLU 584.A N LYS 581.A O no hydrogen 2.853 N/A ARG 585.A N LYS 581.A O no hydrogen 2.993 N/A ARG 585.A NE LEU 577.A O no hydrogen 2.786 N/A ARG 585.A NH2 LEU 577.A O no hydrogen 3.435 N/A ARG 585.A NH2 LYS 578.A O no hydrogen 3.032 N/A LYS 586.A N PRO 582.A O no hydrogen 3.394 N/A LYS 587.A N GLU 584.A O no hydrogen 2.842 N/A THR 588.A N ARG 585.A O no hydrogen 3.091 N/A THR 588.A OG1 ARG 585.A O no hydrogen 2.692 N/A ARG 591.A N TYR 629.A O no hydrogen 3.078 N/A ARG 591.A NH1 ASP 551.A OD2 no hydrogen 2.530 N/A ARG 591.A NH1 GLN 775.A OE1 no hydrogen 2.955 N/A ARG 591.A NH2 GLN 775.A OE1 no hydrogen 3.193 N/A ARG 591.A NH2 ASP 779.A OD1 no hydrogen 2.864 N/A THR 592.A N LEU 549.A O no hydrogen 2.846 N/A THR 592.A OG1 SER 548.A OG no hydrogen 2.831 N/A VAL 593.A N LYS 631.A O no hydrogen 2.774 N/A MET 594.A N ASP 551.A O no hydrogen 2.731 N/A ILE 595.A N VAL 633.A O no hydrogen 3.087 N/A GLY 596.A N GLN 553.A O no hydrogen 2.951 N/A LYS 598.A NZ PHE 155.A O no hydrogen 2.556 N/A ALA 599.A N GLN 164.A OE1 no hydrogen 2.974 N/A TYR 603.A N PHE 600.A O no hydrogen 3.022 N/A TYR 603.A OH GLU 559.A OE1 no hydrogen 2.573 N/A ASN 605.A ND2 GLU 559.A OE2 no hydrogen 3.182 N/A LYS 607.A N TYR 603.A O no hydrogen 3.125 N/A LYS 607.A NZ GLU 166.A OE2 no hydrogen 2.619 N/A ARG 608.A N THR 604.A O no hydrogen 2.937 N/A ARG 608.A NH1 ASN 605.A OD1 no hydrogen 2.971 N/A ILE 609.A N ASN 605.A O no hydrogen 2.898 N/A VAL 610.A N ALA 606.A O no hydrogen 3.143 N/A LYS 611.A N LYS 607.A O no hydrogen 3.130 N/A LYS 611.A NZ LYS 161.A O no hydrogen 2.789 N/A LYS 611.A NZ ASP 615.A OD1 no hydrogen 2.939 N/A LYS 611.A NZ ASP 615.A OD2 no hydrogen 3.229 N/A LEU 612.A N ARG 608.A O no hydrogen 2.778 N/A VAL 613.A N ILE 609.A O no hydrogen 2.923 N/A ASN 614.A N VAL 610.A O no hydrogen 3.161 N/A ASN 614.A ND2 VAL 610.A O no hydrogen 2.843 N/A ASP 615.A N LYS 611.A O no hydrogen 2.911 N/A VAL 616.A N LEU 612.A O no hydrogen 2.880 N/A GLY 617.A N VAL 613.A O no hydrogen 3.004 N/A ASP 618.A N ASN 614.A O no hydrogen 2.852 N/A VAL 619.A N ASP 615.A O no hydrogen 3.333 N/A VAL 620.A N VAL 616.A O no hydrogen 2.895 N/A ASN 621.A N GLY 617.A O no hydrogen 2.846 N/A ASN 621.A ND2 VAL 632.A O no hydrogen 2.733 N/A SER 622.A OG ASP 618.A O no hydrogen 2.689 N/A SER 622.A OG VAL 619.A O no hydrogen 3.321 N/A ASP 623.A N VAL 620.A O no hydrogen 2.967 N/A GLU 625.A N ASP 623.A OD1 no hydrogen 3.078 N/A VAL 626.A N ASP 623.A O no hydrogen 3.312 N/A ASN 627.A N ASP 623.A O no hydrogen 2.992 N/A ASN 627.A ND2 ASN 621.A O no hydrogen 2.841 N/A TYR 629.A N VAL 626.A O no hydrogen 2.738 N/A LEU 630.A N VAL 626.A O no hydrogen 3.043 N/A LYS 631.A N ARG 591.A O no hydrogen 3.112 N/A LYS 631.A NZ SER 543.A O no hydrogen 2.583 N/A VAL 632.A N ASN 621.A OD1 no hydrogen 2.929 N/A VAL 633.A N VAL 593.A O no hydrogen 2.914 N/A VAL 635.A N ILE 595.A O no hydrogen 2.840 N/A ASN 637.A N GLN 157.A OE1 no hydrogen 2.896 N/A THR 641.A N ASP 117.A OD2 no hydrogen 3.231 N/A THR 641.A OG1 ASP 117.A OD1 no hydrogen 2.566 N/A THR 641.A OG1 ASP 117.A OD2 no hydrogen 3.324 N/A VAL 642.A N ASN 639.A OD1 no hydrogen 3.038 N/A ALA 643.A N ASN 639.A O no hydrogen 2.994 N/A GLU 644.A N VAL 640.A O no hydrogen 2.842 N/A MET 645.A N THR 641.A O no hydrogen 3.057 N/A MET 645.A N VAL 642.A O no hydrogen 2.996 N/A LEU 646.A N VAL 642.A O no hydrogen 2.876 N/A ILE 647.A N ALA 643.A O no hydrogen 2.830 N/A GLY 649.A N LEU 646.A O no hydrogen 3.196 N/A SER 650.A N ILE 647.A O no hydrogen 3.165 N/A SER 650.A OG ILE 647.A O no hydrogen 2.620 N/A GLU 651.A N PHE 550.A O no hydrogen 3.131 N/A LEU 652.A N PHE 550.A O no hydrogen 3.038 N/A SER 653.A N LEU 677.A O no hydrogen 2.896 N/A SER 653.A OG HIS 655.A NE2 no hydrogen 3.048 N/A GLN 654.A N ILE 552.A O no hydrogen 3.026 N/A GLN 654.A NE2 ASP 551.A OD1 no hydrogen 2.937 N/A GLN 654.A NE2 ASP 551.A OD2 no hydrogen 3.104 N/A GLN 654.A NE2 ASN 566.A OD1 no hydrogen 3.276 N/A HIS 655.A N ILE 679.A O no hydrogen 3.036 N/A HIS 655.A NE2 SER 653.A OG no hydrogen 3.048 N/A SER 657.A OG GLU 662.A OE2 no hydrogen 2.644 N/A THR 658.A N TYR 560.A O no hydrogen 3.187 N/A THR 658.A OG1 PHE 762.A O no hydrogen 2.703 N/A GLY 660.A N ASP 683.A OD1 no hydrogen 2.889 N/A MET 661.A N THR 658.A O no hydrogen 3.183 N/A GLU 662.A N ASP 683.A OD1 no hydrogen 3.324 N/A GLU 662.A N ASP 683.A OD2 no hydrogen 3.278 N/A ASN 668.A ND2 ASN 686.A OD1 no hydrogen 2.676 N/A LYS 670.A N THR 666.A O no hydrogen 3.241 N/A PHE 671.A N SER 667.A O no hydrogen 3.059 N/A ALA 672.A N ASN 668.A O no hydrogen 3.046 N/A LEU 673.A N MET 669.A O no hydrogen 2.986 N/A ASN 674.A N LYS 670.A O no hydrogen 3.249 N/A ASN 674.A N PHE 671.A O no hydrogen 2.978 N/A ASN 674.A ND2 TRP 477.A O no hydrogen 2.713 N/A ASN 674.A ND2 LYS 670.A O no hydrogen 3.104 N/A GLY 675.A N ALA 672.A O no hydrogen 3.278 N/A CYS 676.A N PHE 671.A O no hydrogen 3.101 N/A CYS 676.A SG SER 653.A OG no hydrogen 3.451 N/A CYS 676.A SG LEU 677.A O no hydrogen 3.514 N/A LEU 677.A N GLU 651.A O no hydrogen 2.815 N/A ILE 679.A N SER 653.A O no hydrogen 2.936 N/A GLY 680.A N PHE 699.A O no hydrogen 2.919 N/A THR 681.A N HIS 655.A O no hydrogen 3.198 N/A THR 681.A OG1 SER 657.A O no hydrogen 2.706 N/A ALA 685.A N SER 664.A O no hydrogen 2.837 N/A ASN 686.A ND2 HIS 655.A O no hydrogen 3.077 N/A ASN 686.A ND2 THR 681.A O no hydrogen 2.887 N/A VAL 687.A N GLY 684.A O no hydrogen 3.350 N/A ILE 689.A N ALA 685.A O no hydrogen 2.883 N/A ARG 690.A N ASN 686.A O no hydrogen 2.981 N/A GLU 691.A N VAL 687.A O no hydrogen 3.154 N/A GLU 692.A N GLU 688.A O no hydrogen 2.964 N/A VAL 693.A N ILE 689.A O no hydrogen 2.791 N/A GLU 696.A N GLU 696.A OE1 no hydrogen 2.741 N/A ASN 697.A N GLY 694.A O no hydrogen 2.906 N/A ASN 697.A ND2 VAL 693.A O no hydrogen 2.780 N/A PHE 699.A N ILE 678.A O no hydrogen 2.844 N/A PHE 701.A N GLY 680.A O no hydrogen 3.134 N/A ALA 703.A N ASP 767.A OD1 no hydrogen 2.747 N/A THR 704.A N GLN 707.A OE1 no hydrogen 2.929 N/A THR 704.A OG1 ASP 706.A OD1 no hydrogen 2.855 N/A GLN 707.A N THR 704.A O no hydrogen 2.891 N/A VAL 708.A N THR 704.A O no hydrogen 3.332 N/A ARG 710.A NH1 GLU 714.A OE2 no hydrogen 2.896 N/A LEU 711.A N GLN 707.A O no hydrogen 2.934 N/A ARG 712.A N VAL 708.A O no hydrogen 2.921 N/A ARG 712.A NE TYR 761.A O no hydrogen 2.866 N/A ARG 712.A NH2 TYR 761.A O no hydrogen 2.978 N/A LYS 713.A N PRO 709.A O no hydrogen 3.014 N/A GLU 714.A N ARG 710.A O no hydrogen 2.979 N/A ARG 715.A N LEU 711.A O no hydrogen 3.127 N/A ARG 715.A NE GLY 752.A O no hydrogen 2.956 N/A ARG 715.A NE ASN 753.A OD1 no hydrogen 2.922 N/A ARG 715.A NH2 LEU 750.A O no hydrogen 2.791 N/A ARG 715.A NH2 GLY 752.A O no hydrogen 2.800 N/A GLU 716.A N ARG 712.A O no hydrogen 3.058 N/A ASP 717.A N LYS 713.A O no hydrogen 2.943 N/A GLY 718.A N ARG 715.A O no hydrogen 3.059 N/A LEU 719.A N GLU 714.A O no hydrogen 2.898 N/A ARG 725.A N ASP 723.A OD1 no hydrogen 2.860 N/A ARG 725.A NE ASP 723.A OD1 no hydrogen 3.040 N/A ARG 725.A NH2 ASP 723.A OD2 no hydrogen 3.226 N/A GLU 727.A N ASP 723.A O no hydrogen 3.152 N/A GLU 728.A N PRO 724.A O no hydrogen 2.899 N/A ALA 729.A N ARG 725.A O no hydrogen 2.947 N/A LYS 730.A N PHE 726.A O no hydrogen 3.004 N/A LYS 730.A NZ GLU 727.A OE2 no hydrogen 2.560 N/A LYS 730.A NZ GLU 751.A OE2 no hydrogen 2.777 N/A GLN 731.A N GLU 727.A O no hydrogen 2.953 N/A PHE 732.A N GLU 728.A O no hydrogen 3.009 N/A VAL 733.A N ALA 729.A O no hydrogen 3.135 N/A LYS 734.A N LYS 730.A O no hydrogen 3.093 N/A SER 735.A N PHE 732.A O no hydrogen 3.193 N/A SER 735.A OG PHE 732.A O no hydrogen 2.433 N/A VAL 737.A N SER 735.A OG no hydrogen 3.028 N/A GLY 739.A N GLY 736.A O no hydrogen 3.172 N/A TYR 743.A OH ASP 615.A OD2 no hydrogen 2.509 N/A GLY 744.A N ASP 742.A OD1 no hydrogen 2.945 N/A LEU 747.A N TYR 743.A O no hydrogen 3.043 N/A ASP 748.A N GLY 744.A O no hydrogen 2.954 N/A SER 749.A N LEU 746.A O no hydrogen 3.066 N/A SER 749.A OG LEU 746.A O no hydrogen 2.601 N/A LEU 750.A N LEU 747.A O no hydrogen 2.799 N/A GLU 751.A N ASP 748.A O no hydrogen 3.032 N/A ARG 758.A N GLY 755.A O no hydrogen 3.059 N/A ARG 758.A NE ASP 748.A OD2 no hydrogen 3.198 N/A ARG 758.A NH2 ASP 748.A OD1 no hydrogen 2.979 N/A GLY 759.A N GLU 751.A O no hydrogen 2.803 N/A ASP 760.A N SER 749.A O no hydrogen 2.963 N/A LEU 763.A N ASP 760.A O no hydrogen 3.225 N/A VAL 764.A N ASP 760.A OD1 no hydrogen 2.948 N/A GLY 765.A N ASP 760.A OD2 no hydrogen 2.631 N/A ASP 767.A N LEU 763.A O no hydrogen 2.930 N/A PHE 768.A N GLY 765.A O no hydrogen 3.388 N/A SER 770.A OG ASP 767.A O no hydrogen 3.359 N/A TYR 771.A N ASP 767.A O no hydrogen 2.963 N/A TYR 771.A OH GLN 654.A OE1 no hydrogen 2.551 N/A MET 772.A N PHE 768.A O no hydrogen 2.818 N/A ASP 773.A N PRO 769.A O no hydrogen 2.892 N/A ALA 774.A N SER 770.A O no hydrogen 2.893 N/A GLN 775.A N TYR 771.A O no hydrogen 2.966 N/A GLN 775.A NE2 TYR 771.A OH no hydrogen 3.145 N/A ALA 776.A N MET 772.A O no hydrogen 2.923 N/A LYS 777.A N ASP 773.A O no hydrogen 3.069 N/A VAL 778.A N ALA 774.A O no hydrogen 2.917 N/A ASP 779.A N GLN 775.A O no hydrogen 3.125 N/A GLU 780.A N ALA 776.A O no hydrogen 3.133 N/A ALA 781.A N LYS 777.A O no hydrogen 2.863 N/A TYR 782.A N VAL 778.A O no hydrogen 2.676 N/A TYR 782.A OH GLU 651.A OE1 no hydrogen 3.299 N/A TYR 782.A OH GLU 651.A OE2 no hydrogen 2.538 N/A LYS 783.A N ASP 779.A O no hydrogen 3.125 N/A LYS 783.A NZ LYS 587.A O no hydrogen 3.514 N/A LYS 783.A NZ GLU 780.A OE2 no hydrogen 3.142 N/A ASP 784.A N ALA 781.A O no hydrogen 3.145 N/A LYS 786.A NZ GLU 515.A OE2 no hydrogen 2.549 N/A GLY 787.A N ASP 784.A OD1 no hydrogen 3.114 N/A TRP 788.A N ASP 784.A O no hydrogen 2.882 N/A LEU 789.A N ARG 785.A O no hydrogen 2.858 N/A LYS 790.A N LYS 786.A O no hydrogen 2.959 N/A LYS 790.A NZ ASP 513.A OD2 no hydrogen 2.770 N/A MET 791.A N GLY 787.A O no hydrogen 3.030 N/A SER 792.A N TRP 788.A O no hydrogen 2.795 N/A SER 792.A OG GLY 675.A O no hydrogen 2.523 N/A ILE 793.A N LEU 789.A O no hydrogen 2.910 N/A LEU 794.A N LYS 790.A O no hydrogen 2.915 N/A SER 795.A N MET 791.A O no hydrogen 2.980 N/A SER 795.A OG ALA 672.A O no hydrogen 2.619 N/A THR 796.A N SER 792.A O no hydrogen 3.175 N/A THR 796.A OG1 LEU 673.A O no hydrogen 2.895 N/A ALA 797.A N ILE 793.A O no hydrogen 2.848 N/A GLY 798.A N LEU 794.A O no hydrogen 2.903 N/A GLY 798.A N SER 795.A O no hydrogen 3.298 N/A SER 799.A N THR 796.A O no hydrogen 3.067 N/A SER 799.A OG SER 795.A O no hydrogen 2.780 N/A LYS 801.A NZ GLU 688.A OE1 no hydrogen 2.558 N/A PHE 802.A N SER 799.A O no hydrogen 2.951 N/A SER 803.A N GLY 800.A O no hydrogen 3.310 N/A SER 804.A N ILE 472.A O no hydrogen 2.736 N/A SER 804.A OG SER 135.A OG no hydrogen 2.840 N/A ASP 805.A N SER 803.A OG no hydrogen 3.093 N/A ARG 806.A N SER 803.A O no hydrogen 3.105 N/A ARG 806.A NE LYS 801.A O no hydrogen 2.804 N/A ARG 806.A NH1 THR 469.A O no hydrogen 2.803 N/A ARG 806.A NH1 GLN 810.A OE1 no hydrogen 3.288 N/A ARG 806.A NH2 THR 469.A O no hydrogen 3.275 N/A ARG 806.A NH2 ASN 470.A O no hydrogen 2.955 N/A ARG 806.A NH2 LYS 801.A O no hydrogen 2.774 N/A THR 807.A N SER 803.A O no hydrogen 3.457 N/A THR 807.A OG1 THR 469.A O no hydrogen 2.811 N/A THR 807.A OG1 SER 803.A O no hydrogen 3.515 N/A ILE 808.A N SER 804.A O no hydrogen 2.829 N/A ALA 809.A N ASP 805.A O no hydrogen 3.114 N/A GLN 810.A N ARG 806.A O no hydrogen 3.066 N/A TYR 811.A N THR 807.A O no hydrogen 2.999 N/A ALA 812.A N ILE 808.A O no hydrogen 2.660 N/A LYS 813.A N ALA 809.A O no hydrogen 3.045 N/A GLU 814.A N GLN 810.A O no hydrogen 2.873 N/A ILE 815.A N TYR 811.A O no hydrogen 3.002 N/A TRP 816.A N TYR 811.A O no hydrogen 2.974 N/A TRP 816.A NE1 GLN 321.A OE1 no hydrogen 2.824 N/A ILE 818.A N ALA 812.A O no hydrogen 3.099 N/A CYS 821.A N ASN 140.A O no hydrogen 2.754 N/A CYS 821.A SG HIS 62.A NE2 no hydrogen 3.692 N/A VAL 823.A N ASN 227.A OD1 no hydrogen 2.767 N/A