Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4duv_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N VAL 65.A O no hydrogen 3.034 N/A GLN 8.A N PRO 4.A O no hydrogen 2.959 N/A ARG 9.A N VAL 5.A O no hydrogen 2.893 N/A ARG 10.A NE GLU 13.A OE1 no hydrogen 2.807 N/A ARG 10.A NH1 GLU 63.A OE2 no hydrogen 2.624 N/A GLU 13.A N ARG 10.A O no hydrogen 3.084 N/A ASN 14.A N ASP 189.A OD2 no hydrogen 2.789 N/A GLY 16.A N ASN 14.A OD1 no hydrogen 2.842 N/A VAL 17.A N ASN 14.A O no hydrogen 3.011 N/A THR 18.A OG1 GLU 434.A OE1 no hydrogen 2.600 N/A LEU 20.A N TYR 157.A O no hydrogen 2.909 N/A ASN 21.A ND2 VAL 155.A O no hydrogen 2.870 N/A ARG 22.A N GLN 19.A OE1 no hydrogen 3.167 N/A ARG 22.A NH1 GLN 159.A O no hydrogen 2.856 N/A ARG 22.A NH1 SER 165.A OG no hydrogen 2.955 N/A LEU 23.A N GLU 166.A O no hydrogen 2.765 N/A HIS 26.A ND1 PRO 27.A O no hydrogen 2.684 N/A HIS 26.A NE2 GLU 166.A OE1 no hydrogen 2.719 N/A ALA 30.A N GLU 322.A OE1 no hydrogen 2.856 N/A SER 31.A N GLU 322.A OE1 no hydrogen 3.219 N/A SER 31.A N GLU 322.A OE2 no hydrogen 2.920 N/A SER 31.A OG HIS 212.A O no hydrogen 2.917 N/A SER 31.A OG GLU 320.A OE1 no hydrogen 2.689 N/A TRP 32.A NE1 ARG 42.A O no hydrogen 2.782 N/A ARG 33.A NE SER 31.A O no hydrogen 3.241 N/A ARG 33.A NE SER 31.A OG no hydrogen 3.035 N/A ARG 33.A NH2 SER 31.A OG no hydrogen 3.012 N/A ARG 33.A NH2 HIS 212.A ND1 no hydrogen 3.062 N/A ARG 33.A NH2 HIS 212.A O no hydrogen 2.789 N/A SER 35.A OG GLU 310.A OE2 no hydrogen 2.599 N/A GLU 37.A N ASN 34.A OD1 no hydrogen 3.037 N/A ALA 38.A N ASN 34.A O no hydrogen 3.225 N/A ARG 39.A N SER 35.A O no hydrogen 2.933 N/A ARG 39.A NE GLU 36.A OE1 no hydrogen 3.224 N/A ARG 39.A NE GLU 36.A OE2 no hydrogen 3.272 N/A ARG 39.A NH1 GLU 260.A OE2 no hydrogen 3.233 N/A ARG 39.A NH2 GLU 36.A OE2 no hydrogen 2.701 N/A ARG 39.A NH2 GLU 260.A OE1 no hydrogen 2.828 N/A THR 40.A N GLU 36.A O no hydrogen 3.090 N/A THR 40.A OG1 GLU 36.A O no hydrogen 3.068 N/A THR 40.A OG1 GLU 37.A O no hydrogen 3.403 N/A ASP 41.A N ALA 38.A O no hydrogen 3.305 N/A ARG 42.A N GLU 37.A O no hydrogen 3.162 N/A ARG 42.A NE GLU 37.A OE1 no hydrogen 3.008 N/A ARG 42.A NE GLU 37.A OE2 no hydrogen 3.320 N/A ARG 42.A NH2 GLU 37.A OE2 no hydrogen 2.676 N/A SER 44.A OG ALA 30.A O no hydrogen 2.695 N/A GLN 46.A N SER 44.A OG no hydrogen 3.152 N/A GLN 46.A NE2 SER 31.A O no hydrogen 2.965 N/A LEU 47.A N SER 44.A O no hydrogen 3.142 N/A ARG 48.A N LEU 210.A O no hydrogen 2.783 N/A ARG 48.A NH1 ASN 124.A O no hydrogen 2.668 N/A ARG 48.A NH2 ASN 124.A O no hydrogen 2.963 N/A LEU 50.A N VAL 208.A O no hydrogen 2.790 N/A ASN 51.A N SER 49.A OG no hydrogen 3.324 N/A ASN 51.A ND2 ASP 207.A OD1 no hydrogen 2.727 N/A GLY 52.A N VAL 82.A O no hydrogen 2.939 N/A TRP 54.A N VAL 80.A O no hydrogen 2.781 N/A TRP 54.A NE1 LEU 50.A O no hydrogen 2.787 N/A ARG 55.A N SER 120.A O no hydrogen 2.845 N/A ARG 55.A NE ASP 73.A OD1 no hydrogen 3.045 N/A ARG 55.A NE ASP 73.A OD2 no hydrogen 3.150 N/A ARG 55.A NH1 THR 79.A OG1 no hydrogen 3.032 N/A ARG 55.A NH2 ASP 73.A OD2 no hydrogen 2.909 N/A ARG 55.A NH2 LEU 74.A O no hydrogen 3.215 N/A PHE 56.A N ASP 78.A O no hydrogen 2.815 N/A ALA 57.A N CYS 118.A O no hydrogen 2.993 N/A TRP 58.A NE1 ASP 92.A OD2 no hydrogen 2.972 N/A PHE 59.A N THR 116.A O no hydrogen 2.921 N/A GLU 63.A N GLU 63.A OE1 no hydrogen 2.816 N/A ALA 64.A N ALA 61.A O no hydrogen 3.213 N/A VAL 65.A N PRO 62.A O no hydrogen 3.214 N/A TRP 69.A N PRO 66.A O no hydrogen 3.147 N/A LEU 70.A N GLU 67.A O no hydrogen 3.233 N/A GLU 71.A N SER 68.A O no hydrogen 2.932 N/A CYS 72.A N SER 68.A O no hydrogen 2.986 N/A CYS 72.A SG SER 68.A O no hydrogen 4.034 N/A ALA 77.A N LEU 74.A O no hydrogen 3.124 N/A ASP 78.A N PHE 56.A O no hydrogen 2.779 N/A VAL 80.A N TRP 54.A O no hydrogen 2.902 N/A VAL 82.A N GLY 52.A O no hydrogen 2.783 N/A SER 84.A N ILE 204.A O no hydrogen 2.887 N/A SER 84.A OG VAL 81.A O no hydrogen 2.835 N/A ASN 85.A ND2 SER 202.A O no hydrogen 3.386 N/A TRP 86.A N SER 202.A O no hydrogen 3.121 N/A TRP 86.A NE1 ASP 92.A OD2 no hydrogen 2.919 N/A GLN 87.A NE2 ASP 92.A OD1 no hydrogen 2.861 N/A GLN 87.A NE2 SER 202.A OG no hydrogen 2.766 N/A MET 88.A N ASN 85.A O no hydrogen 2.928 N/A HIS 89.A N TRP 86.A O no hydrogen 3.268 N/A GLY 90.A N GLN 87.A O no hydrogen 3.080 N/A TYR 91.A N TRP 86.A O no hydrogen 3.237 N/A TYR 91.A OH ASP 78.A OD2 no hydrogen 2.655 N/A ILE 95.A N ARG 200.A O no hydrogen 3.267 N/A TYR 96.A N ASP 590.A OD2 no hydrogen 3.089 N/A TYR 96.A OH ASP 197.A OD1 no hydrogen 2.520 N/A THR 97.A OG1 THR 100.A O no hydrogen 2.682 N/A THR 97.A OG1 ASP 594.A OD2 no hydrogen 3.471 N/A ASN 98.A N ASP 594.A OD2 no hydrogen 2.781 N/A ASN 98.A ND2 SER 792.A O no hydrogen 3.000 N/A TYR 101.A OH TYR 192.A O no hydrogen 2.597 N/A ASN 106.A N TYR 192.A OH no hydrogen 2.959 N/A PHE 109.A N ASN 106.A O no hydrogen 2.860 N/A VAL 110.A N GLU 13.A OE2 no hydrogen 2.872 N/A ASN 114.A ND2 TRP 187.A O no hydrogen 2.826 N/A THR 116.A N PHE 59.A O no hydrogen 2.820 N/A THR 116.A OG1 ASN 114.A O no hydrogen 2.709 N/A GLY 117.A N VAL 184.A O no hydrogen 2.829 N/A CYS 118.A N ALA 57.A O no hydrogen 2.892 N/A TYR 119.A N VAL 182.A O no hydrogen 2.883 N/A SER 120.A N ARG 55.A O no hydrogen 2.881 N/A LEU 121.A N LEU 180.A O no hydrogen 3.092 N/A PHE 123.A N ASN 178.A O no hydrogen 2.918 N/A VAL 125.A N GLY 176.A O no hydrogen 2.963 N/A SER 128.A N ASP 126.A OD2 no hydrogen 3.156 N/A SER 128.A OG ASP 126.A OD2 no hydrogen 2.759 N/A TRP 129.A N ASP 126.A O no hydrogen 3.013 N/A LEU 130.A N GLU 127.A O no hydrogen 2.934 N/A GLN 131.A N GLU 127.A O no hydrogen 3.136 N/A GLN 134.A N LYS 213.A O no hydrogen 2.705 N/A GLN 134.A NE2 ASP 168.A OD2 no hydrogen 3.111 N/A THR 135.A N SER 170.A OG no hydrogen 2.972 N/A THR 135.A OG1 TRP 129.A O no hydrogen 3.385 N/A ARG 136.A N LEU 211.A O no hydrogen 2.970 N/A ARG 136.A NH1 GLU 166.A OE1 no hydrogen 2.857 N/A ARG 136.A NH2 GLN 134.A OE1 no hydrogen 2.953 N/A ILE 137.A N PHE 167.A O no hydrogen 2.878 N/A ILE 138.A N SER 209.A O no hydrogen 2.780 N/A PHE 139.A N SER 165.A O no hydrogen 2.897 N/A ASP 140.A N ASP 207.A O no hydrogen 2.955 N/A ASN 143.A N GLY 203.A O no hydrogen 3.004 N/A SER 144.A N LEU 185.A O no hydrogen 2.926 N/A SER 144.A OG LEU 185.A O no hydrogen 3.335 N/A SER 144.A OG ARG 186.A O no hydrogen 2.889 N/A SER 144.A OG SER 188.A OG no hydrogen 3.069 N/A ALA 145.A N LEU 185.A O no hydrogen 3.408 N/A PHE 146.A N GLY 158.A O no hydrogen 3.157 N/A HIS 147.A N MET 183.A O no hydrogen 2.988 N/A LEU 148.A N GLY 156.A O no hydrogen 2.864 N/A TRP 149.A N ALA 181.A O no hydrogen 2.786 N/A CYS 150.A N ARG 153.A O no hydrogen 2.827 N/A ASN 151.A N ARG 179.A O no hydrogen 2.772 N/A ASN 151.A ND2 PHE 172.A O no hydrogen 3.045 N/A ASN 151.A ND2 ASN 178.A OD1 no hydrogen 2.815 N/A ARG 153.A N CYS 150.A O no hydrogen 3.063 N/A ARG 153.A NH1 ALA 171.A O no hydrogen 3.281 N/A TRP 154.A NE1 HIS 147.A ND1 no hydrogen 3.042 N/A VAL 155.A N LEU 148.A O no hydrogen 2.784 N/A GLY 156.A N LEU 148.A O no hydrogen 3.455 N/A TYR 157.A N LEU 20.A O no hydrogen 3.086 N/A TYR 157.A OH GLN 159.A OE1 no hydrogen 2.580 N/A GLY 158.A N PHE 146.A O no hydrogen 3.092 N/A GLN 159.A NE2 ASP 189.A OD1 no hydrogen 2.951 N/A SER 161.A N GLU 194.A OE2 no hydrogen 3.101 N/A SER 161.A OG ASN 143.A OD1 no hydrogen 3.380 N/A SER 161.A OG GLU 194.A OE1 no hydrogen 2.757 N/A SER 161.A OG GLU 194.A OE2 no hydrogen 3.203 N/A ARG 162.A N ASP 160.A OD1 no hydrogen 3.106 N/A SER 165.A N PHE 139.A O no hydrogen 2.785 N/A PHE 167.A N ILE 137.A O no hydrogen 3.044 N/A LEU 169.A N THR 135.A O no hydrogen 2.799 N/A SER 170.A N ASP 168.A OD1 no hydrogen 3.016 N/A SER 170.A OG ASP 168.A OD1 no hydrogen 2.742 N/A PHE 172.A N LEU 169.A O no hydrogen 2.885 N/A LEU 173.A N LEU 169.A O no hydrogen 3.073 N/A ARG 174.A N ASN 178.A OD1 no hydrogen 2.927 N/A ARG 174.A NE GLU 177.A O no hydrogen 3.214 N/A GLY 176.A N VAL 125.A O no hydrogen 3.135 N/A ASN 178.A N PHE 123.A O no hydrogen 2.765 N/A ASN 178.A ND2 ARG 174.A O no hydrogen 2.822 N/A ARG 179.A N ASN 151.A OD1 no hydrogen 2.913 N/A ARG 179.A NH1 TRP 69.A O no hydrogen 2.652 N/A ARG 179.A NH2 TRP 69.A O no hydrogen 2.827 N/A LEU 180.A N LEU 121.A O no hydrogen 2.897 N/A ALA 181.A N TRP 149.A O no hydrogen 2.867 N/A VAL 182.A N TYR 119.A O no hydrogen 2.770 N/A MET 183.A N HIS 147.A O no hydrogen 2.969 N/A VAL 184.A N GLY 117.A O no hydrogen 2.839 N/A LEU 185.A N ALA 145.A O no hydrogen 2.689 N/A ARG 186.A N PRO 115.A O no hydrogen 2.970 N/A ARG 186.A NH1 ALA 93.A O no hydrogen 3.218 N/A ARG 186.A NH2 ALA 93.A O no hydrogen 2.914 N/A ARG 186.A NH2 ARG 200.A O no hydrogen 2.853 N/A TRP 187.A N ASN 114.A OD1 no hydrogen 2.896 N/A SER 188.A N SER 191.A OG no hydrogen 3.086 N/A SER 188.A OG SER 144.A OG no hydrogen 3.069 N/A ASP 189.A N TRP 12.A O no hydrogen 2.749 N/A GLY 190.A N SER 188.A OG no hydrogen 3.136 N/A SER 191.A N SER 188.A O no hydrogen 2.886 N/A SER 191.A OG SER 188.A O no hydrogen 3.140 N/A TYR 192.A N ASP 189.A O no hydrogen 3.286 N/A TYR 192.A OH THR 104.A O no hydrogen 3.346 N/A TYR 192.A OH PHE 109.A O no hydrogen 2.571 N/A LEU 193.A N GLY 190.A O no hydrogen 2.954 N/A GLU 194.A N SER 191.A O no hydrogen 3.055 N/A ASP 195.A N GLU 412.A O no hydrogen 2.917 N/A GLN 196.A N GLN 196.A OE1 no hydrogen 2.781 N/A GLN 196.A NE2 HIS 387.A O no hydrogen 2.796 N/A GLN 196.A NE2 ASN 410.A OD1 no hydrogen 2.798 N/A TRP 199.A N GLN 569.A OE1 no hydrogen 3.333 N/A TRP 199.A NE1 GLN 569.A O no hydrogen 2.675 N/A ARG 200.A N ILE 95.A O no hydrogen 2.686 N/A ARG 200.A NE MET 198.A O no hydrogen 2.983 N/A ARG 200.A NH1 ASP 195.A OD1 no hydrogen 2.813 N/A ARG 200.A NH2 THR 97.A O no hydrogen 2.895 N/A ARG 200.A NH2 ASP 195.A OD1 no hydrogen 2.949 N/A SER 202.A N GLN 87.A OE1 no hydrogen 2.890 N/A GLY 203.A N ASN 143.A O no hydrogen 2.987 N/A ILE 204.A N TYR 119.A OH no hydrogen 3.236 N/A PHE 205.A N GLY 141.A O no hydrogen 3.102 N/A ARG 206.A N GLY 141.A O no hydrogen 3.370 N/A ARG 206.A NH1 ARG 162.A O no hydrogen 2.881 N/A ARG 206.A NH2 GLU 354.A OE1 no hydrogen 2.654 N/A ARG 206.A NH2 PRO 389.A O no hydrogen 2.955 N/A VAL 208.A N ASN 51.A OD1 no hydrogen 2.932 N/A SER 209.A N ILE 138.A O no hydrogen 2.941 N/A LEU 210.A N ARG 48.A O no hydrogen 2.734 N/A LEU 211.A N ARG 136.A O no hydrogen 2.946 N/A HIS 212.A N GLN 46.A O no hydrogen 2.792 N/A HIS 212.A NE2 GLU 132.A O no hydrogen 2.810 N/A LYS 213.A N GLN 134.A O no hydrogen 2.918 N/A LYS 213.A NZ ILE 218.A O no hydrogen 2.697 N/A LYS 213.A NZ GLU 320.A OE1 no hydrogen 3.206 N/A LYS 213.A NZ GLU 320.A OE2 no hydrogen 2.723 N/A LYS 213.A NZ GLU 322.A OE2 no hydrogen 3.035 N/A GLN 217.A N CYS 243.A O no hydrogen 3.095 N/A GLN 217.A NE2 GLN 134.A OE1 no hydrogen 2.901 N/A GLN 217.A NE2 PRO 214.A O no hydrogen 2.938 N/A ILE 218.A N GLU 320.A OE2 no hydrogen 2.738 N/A SER 219.A N GLN 241.A O no hydrogen 2.796 N/A ASP 220.A N GLN 241.A O no hydrogen 3.408 N/A HIS 222.A N GLU 239.A O no hydrogen 2.783 N/A HIS 222.A NE2 ASP 220.A OD2 no hydrogen 3.031 N/A VAL 223.A N ASN 445.A OD1 no hydrogen 2.975 N/A ALA 224.A N GLU 237.A O no hydrogen 2.849 N/A ARG 226.A N VAL 235.A O no hydrogen 3.069 N/A ARG 226.A NH1 GLU 237.A OE2 no hydrogen 3.117 N/A ARG 226.A NH2 GLU 237.A OE1 no hydrogen 2.633 N/A ASN 228.A N ARG 233.A O no hydrogen 3.175 N/A ASN 228.A ND2 SER 232.A OG no hydrogen 3.051 N/A PHE 231.A N ASN 228.A O no hydrogen 3.209 N/A SER 232.A N ASP 230.A OD1 no hydrogen 3.181 N/A SER 232.A OG ASP 230.A OD1 no hydrogen 2.811 N/A ARG 233.A N ASN 228.A OD1 no hydrogen 3.030 N/A ALA 234.A N VAL 291.A O no hydrogen 2.874 N/A VAL 235.A N ARG 226.A O no hydrogen 2.891 N/A LEU 236.A N LEU 289.A O no hydrogen 2.806 N/A GLU 237.A N ALA 224.A O no hydrogen 2.877 N/A ALA 238.A N LEU 287.A O no hydrogen 2.873 N/A GLU 239.A N HIS 222.A O no hydrogen 2.914 N/A VAL 240.A N VAL 285.A O no hydrogen 2.829 N/A GLN 241.A N ASP 220.A O no hydrogen 2.840 N/A GLN 241.A NE2 GLU 239.A OE2 no hydrogen 2.681 N/A MET 242.A N ASP 283.A O no hydrogen 2.984 N/A CYS 243.A N GLN 217.A O no hydrogen 2.985 N/A CYS 243.A SG SER 219.A OG no hydrogen 3.466 N/A ARG 247.A NH1 TYR 249.A OH no hydrogen 3.256 N/A LEU 250.A N ARG 247.A O no hydrogen 3.145 N/A ARG 251.A N HIS 312.A O no hydrogen 2.731 N/A ARG 251.A NH1 ASP 248.A O no hydrogen 2.776 N/A ARG 251.A NH1 LEU 250.A O no hydrogen 2.984 N/A VAL 252.A N ALA 268.A O no hydrogen 2.950 N/A THR 253.A N GLU 310.A O no hydrogen 2.945 N/A THR 253.A OG1 THR 267.A OG1 no hydrogen 2.768 N/A THR 253.A OG1 HIS 312.A NE2 no hydrogen 2.671 N/A VAL 254.A N GLY 266.A O no hydrogen 2.932 N/A SER 255.A N VAL 308.A O no hydrogen 3.082 N/A SER 255.A OG SER 265.A OG no hydrogen 3.312 N/A LEU 256.A N ALA 264.A O no hydrogen 2.786 N/A TRP 257.A N ARG 306.A O no hydrogen 2.759 N/A GLN 258.A N THR 261.A O no hydrogen 2.775 N/A THR 261.A N GLN 258.A O no hydrogen 3.102 N/A VAL 263.A N LEU 256.A O no hydrogen 2.735 N/A ALA 264.A N LEU 256.A O no hydrogen 3.404 N/A SER 265.A OG SER 255.A OG no hydrogen 3.312 N/A GLY 266.A N VAL 254.A O no hydrogen 3.020 N/A THR 267.A OG1 THR 253.A OG1 no hydrogen 2.768 N/A ALA 268.A N VAL 252.A O no hydrogen 3.052 N/A GLY 271.A N ARG 284.A O no hydrogen 2.759 N/A GLY 272.A N TYR 281.A O no hydrogen 2.715 N/A ILE 275.A N GLY 279.A O no hydrogen 2.915 N/A ASP 276.A N GLY 279.A O no hydrogen 3.206 N/A GLU 277.A N GLU 277.A OE1 no hydrogen 2.754 N/A ARG 278.A N ASP 276.A OD1 no hydrogen 3.027 N/A GLY 279.A N ASP 276.A O no hydrogen 2.962 N/A ASP 283.A N ASP 283.A OD1 no hydrogen 2.567 N/A ARG 284.A N TYR 281.A O no hydrogen 3.440 N/A VAL 285.A N VAL 240.A O no hydrogen 3.028 N/A LEU 287.A N ALA 238.A O no hydrogen 2.921 N/A ARG 288.A NE GLU 237.A OE1 no hydrogen 2.978 N/A LEU 289.A N LEU 236.A O no hydrogen 2.743 N/A VAL 291.A N ALA 234.A O no hydrogen 2.927 N/A ASN 293.A N SER 232.A O no hydrogen 2.712 N/A LYS 295.A N TYR 305.A OH no hydrogen 2.871 N/A TRP 297.A N PHE 328.A O no hydrogen 2.782 N/A TRP 297.A NE1 ASP 399.A O no hydrogen 2.813 N/A SER 298.A N ILE 301.A O no hydrogen 3.116 N/A ALA 299.A N TYR 404.A OH no hydrogen 3.280 N/A ILE 301.A N SER 298.A OG no hydrogen 3.072 N/A ASN 303.A N ILE 301.A O no hydrogen 2.823 N/A ASN 303.A ND2 LEU 296.A O no hydrogen 2.751 N/A TYR 305.A N VAL 326.A O no hydrogen 2.784 N/A ARG 306.A N TRP 257.A O no hydrogen 2.817 N/A ARG 306.A NE ALA 38.A O no hydrogen 3.189 N/A ARG 306.A NH1 ASP 325.A OD1 no hydrogen 2.934 N/A ARG 306.A NH2 ALA 38.A O no hydrogen 2.874 N/A ARG 306.A NH2 ASP 41.A OD1 no hydrogen 2.638 N/A ALA 307.A N CYS 324.A O no hydrogen 3.002 N/A VAL 308.A N SER 255.A O no hydrogen 2.925 N/A VAL 309.A N GLU 322.A O no hydrogen 2.704 N/A GLU 310.A N THR 253.A O no hydrogen 2.767 N/A LEU 311.A N GLU 320.A O no hydrogen 2.928 N/A HIS 312.A N ARG 251.A O no hydrogen 2.988 N/A HIS 312.A ND1 THR 313.A O no hydrogen 2.799 N/A HIS 312.A NE2 THR 253.A OG1 no hydrogen 2.671 N/A THR 313.A N THR 317.A O no hydrogen 2.855 N/A ALA 314.A N TYR 249.A O no hydrogen 2.669 N/A GLY 316.A N THR 313.A O no hydrogen 3.082 N/A THR 317.A N THR 313.A OG1 no hydrogen 2.863 N/A ILE 319.A N LEU 311.A O no hydrogen 2.774 N/A GLU 320.A N LEU 311.A O no hydrogen 3.360 N/A ALA 321.A N TRP 32.A O no hydrogen 2.761 N/A GLU 322.A N VAL 309.A O no hydrogen 2.923 N/A CYS 324.A N ALA 307.A O no hydrogen 3.150 N/A CYS 324.A SG ASP 325.A O no hydrogen 3.748 N/A VAL 326.A N TYR 305.A O no hydrogen 2.706 N/A ARG 329.A NE PRO 447.A O no hydrogen 2.762 N/A ARG 329.A NH1 ARG 329.A O no hydrogen 2.992 N/A ARG 329.A NH2 PRO 447.A O no hydrogen 3.221 N/A ARG 329.A NH2 VAL 449.A O no hydrogen 2.858 N/A GLU 330.A N ASN 341.A OD1 no hydrogen 2.813 N/A ARG 332.A N LEU 339.A O no hydrogen 3.156 N/A ARG 332.A NH1 GLU 330.A OE1 no hydrogen 2.442 N/A ARG 332.A NH2 GLU 334.A OE1 no hydrogen 2.649 N/A GLU 334.A N LEU 337.A O no hydrogen 2.934 N/A LEU 337.A N GLU 334.A O no hydrogen 3.108 N/A LEU 338.A N GLN 559.A OE1 no hydrogen 2.778 N/A LEU 339.A N ARG 332.A O no hydrogen 2.701 N/A LEU 340.A N LYS 343.A O no hydrogen 2.703 N/A ASN 341.A N GLU 330.A O no hydrogen 2.918 N/A ASN 341.A ND2 TRP 297.A O no hydrogen 3.091 N/A LYS 343.A N LEU 340.A O no hydrogen 3.021 N/A LEU 345.A N LEU 338.A O no hydrogen 3.095 N/A ILE 347.A N GLN 559.A O no hydrogen 2.734 N/A ARG 348.A N ASN 381.A OD1 no hydrogen 2.776 N/A ARG 348.A NE GLN 620.A O no hydrogen 2.743 N/A ARG 348.A NH1 LEU 346.A O no hydrogen 3.326 N/A ARG 348.A NH2 GLN 621.A O no hydrogen 3.269 N/A GLY 349.A N GLY 561.A O no hydrogen 3.034 N/A VAL 350.A N ALA 382.A O no hydrogen 3.097 N/A ASN 351.A N VAL 563.A O no hydrogen 2.829 N/A ASN 351.A ND2 CYS 532.A O no hydrogen 2.902 N/A ASN 351.A ND2 VAL 563.A O no hydrogen 3.067 N/A ARG 352.A N ARG 384.A O no hydrogen 3.256 N/A ARG 352.A NE ASP 371.A OD2 no hydrogen 2.821 N/A ARG 352.A NH2 ASP 371.A OD2 no hydrogen 3.051 N/A HIS 353.A ND1 TYR 388.A OH no hydrogen 2.863 N/A GLU 354.A N TYR 388.A OH no hydrogen 3.023 N/A HIS 355.A NE2 SER 570.A O no hydrogen 2.859 N/A HIS 356.A N GLY 360.A O no hydrogen 2.766 N/A LEU 358.A N HIS 356.A ND1 no hydrogen 3.077 N/A HIS 359.A N HIS 356.A ND1 no hydrogen 3.151 N/A GLY 360.A N HIS 356.A O no hydrogen 2.903 N/A GLN 361.A N ASN 85.A OD1 no hydrogen 2.952 N/A GLN 361.A NE2 TRP 199.A O no hydrogen 2.771 N/A VAL 362.A N HIS 359.A O no hydrogen 3.493 N/A THR 367.A N ASP 364.A OD2 no hydrogen 2.918 N/A THR 367.A OG1 ASP 364.A OD1 no hydrogen 2.675 N/A THR 367.A OG1 ASP 364.A OD2 no hydrogen 3.147 N/A MET 368.A N ASP 364.A O no hydrogen 3.155 N/A VAL 369.A N GLU 365.A O no hydrogen 2.858 N/A GLN 370.A N GLN 366.A O no hydrogen 2.830 N/A ASP 371.A N THR 367.A O no hydrogen 2.819 N/A ILE 372.A N MET 368.A O no hydrogen 2.951 N/A LEU 373.A N VAL 369.A O no hydrogen 2.911 N/A LEU 374.A N GLN 370.A O no hydrogen 3.070 N/A MET 375.A N ASP 371.A O no hydrogen 2.945 N/A LYS 376.A N ILE 372.A O no hydrogen 3.045 N/A LYS 376.A NZ ALA 299.A O no hydrogen 3.441 N/A LYS 376.A NZ TYR 401.A O no hydrogen 3.312 N/A LYS 376.A NZ GLY 402.A O no hydrogen 2.840 N/A GLN 377.A N LEU 373.A O no hydrogen 2.912 N/A GLN 377.A NE2 TRP 704.A O no hydrogen 2.782 N/A ASN 378.A N LEU 374.A O no hydrogen 3.091 N/A ASN 378.A N MET 375.A O no hydrogen 3.115 N/A ASN 378.A ND2 LEU 374.A O no hydrogen 2.716 N/A ASN 379.A N LYS 376.A O no hydrogen 3.151 N/A ASN 379.A ND2 LYS 617.A O no hydrogen 2.931 N/A ASN 379.A ND2 SER 711.A O no hydrogen 2.942 N/A PHE 380.A N MET 375.A O no hydrogen 2.879 N/A ASN 381.A N ARG 348.A O no hydrogen 2.846 N/A ASN 381.A ND2 LEU 346.A O no hydrogen 3.093 N/A ALA 382.A N ARG 348.A O no hydrogen 3.275 N/A VAL 383.A N TYR 404.A O no hydrogen 2.776 N/A ARG 384.A N VAL 350.A O no hydrogen 3.039 N/A ARG 384.A NE GLU 408.A OE1 no hydrogen 2.744 N/A ARG 384.A NH1 ASN 351.A OD1 no hydrogen 3.120 N/A ARG 384.A NH1 CYS 532.A O no hydrogen 3.350 N/A ARG 384.A NH1 GLU 533.A OE1 no hydrogen 3.114 N/A ARG 384.A NH2 GLU 408.A OE1 no hydrogen 2.877 N/A ARG 384.A NH2 ASN 456.A OD1 no hydrogen 3.026 N/A CYS 385.A N VAL 406.A O no hydrogen 3.022 N/A CYS 385.A SG VAL 406.A O no hydrogen 3.664 N/A SER 386.A N ARG 384.A O no hydrogen 2.803 N/A HIS 387.A ND1 GLU 408.A OE2 no hydrogen 2.641 N/A TYR 388.A N CYS 385.A O no hydrogen 3.001 N/A TYR 388.A OH HIS 353.A ND1 no hydrogen 2.863 N/A ASN 390.A N TYR 395.A OH no hydrogen 2.705 N/A HIS 391.A N GLU 354.A OE2 no hydrogen 2.834 N/A LEU 393.A N HIS 391.A ND1 no hydrogen 3.100 N/A TRP 394.A N HIS 391.A O no hydrogen 3.037 N/A TYR 395.A OH ASP 407.A OD1 no hydrogen 2.624 N/A LEU 397.A N LEU 393.A O no hydrogen 2.957 N/A CYS 398.A N TRP 394.A O no hydrogen 2.933 N/A CYS 398.A SG TRP 394.A O no hydrogen 3.402 N/A ASP 399.A N TYR 395.A O no hydrogen 2.835 N/A ARG 400.A N THR 396.A O no hydrogen 3.118 N/A ARG 400.A NE ASP 325.A OD2 no hydrogen 2.911 N/A ARG 400.A NH2 ASP 41.A OD2 no hydrogen 3.051 N/A ARG 400.A NH2 ASP 325.A OD2 no hydrogen 3.027 N/A TYR 401.A N LEU 397.A O no hydrogen 2.815 N/A GLY 402.A N CYS 398.A O no hydrogen 2.940 N/A LEU 403.A N CYS 398.A O no hydrogen 3.111 N/A TYR 404.A N ASN 381.A O no hydrogen 2.856 N/A VAL 405.A N SER 448.A O no hydrogen 2.788 N/A VAL 406.A N VAL 383.A O no hydrogen 2.949 N/A ASP 407.A N ILE 451.A O no hydrogen 3.062 N/A ALA 409.A N SER 453.A O no hydrogen 2.973 N/A ASN 410.A ND2 ASP 160.A OD1 no hydrogen 2.916 N/A ILE 411.A N ALA 409.A O no hydrogen 2.825 N/A GLU 412.A N LEU 193.A O no hydrogen 2.851 N/A THR 413.A N SER 458.A OG no hydrogen 3.009 N/A THR 413.A OG1 MET 419.A O no hydrogen 3.064 N/A GLY 415.A N ASP 195.A OD2 no hydrogen 2.839 N/A MET 416.A N THR 413.A O no hydrogen 3.073 N/A ASN 420.A ND2 HIS 460.A O no hydrogen 2.873 N/A ARG 421.A N PRO 418.A O no hydrogen 3.156 N/A ARG 421.A NE VAL 417.A O no hydrogen 2.757 N/A ARG 421.A NH2 VAL 417.A O no hydrogen 3.248 N/A THR 423.A OG1 ASN 420.A O no hydrogen 3.474 N/A THR 423.A OG1 SER 458.A O no hydrogen 2.783 N/A ASP 424.A N ASN 420.A O no hydrogen 2.893 N/A ASP 425.A N LEU 422.A O no hydrogen 3.090 N/A ARG 427.A N ASP 425.A OD1 no hydrogen 2.953 N/A TRP 428.A N ASP 425.A O no hydrogen 2.901 N/A LEU 429.A N PRO 426.A O no hydrogen 3.242 N/A MET 432.A N TRP 428.A O no hydrogen 3.068 N/A SER 433.A N LEU 429.A O no hydrogen 2.733 N/A SER 433.A OG LEU 429.A O no hydrogen 3.528 N/A SER 433.A OG PRO 430.A O no hydrogen 3.030 N/A GLU 434.A N PRO 430.A O no hydrogen 3.270 N/A ARG 435.A NH1 GLU 194.A OE2 no hydrogen 3.000 N/A ARG 435.A NH1 ASN 410.A O no hydrogen 2.869 N/A ARG 435.A NH2 GLU 194.A OE2 no hydrogen 3.299 N/A VAL 436.A N MET 432.A O no hydrogen 3.218 N/A THR 437.A N SER 433.A O no hydrogen 2.695 N/A THR 437.A OG1 SER 433.A O no hydrogen 2.910 N/A ARG 438.A N GLU 434.A O no hydrogen 3.124 N/A ARG 438.A NH2 PRO 164.A O no hydrogen 2.698 N/A VAL 440.A N VAL 436.A O no hydrogen 3.168 N/A GLN 441.A N THR 437.A O no hydrogen 2.963 N/A ARG 442.A N ARG 438.A O no hydrogen 3.218 N/A ARG 442.A N MET 439.A O no hydrogen 3.115 N/A ARG 442.A NE ASP 443.A OD1 no hydrogen 2.709 N/A ARG 442.A NE ASP 443.A OD2 no hydrogen 3.438 N/A ARG 442.A NH1 ASN 390.A O no hydrogen 3.106 N/A ARG 442.A NH2 ASN 390.A O no hydrogen 2.876 N/A ARG 442.A NH2 ASP 443.A OD2 no hydrogen 2.972 N/A ASP 443.A N MET 439.A O no hydrogen 2.919 N/A ARG 444.A N VAL 440.A O no hydrogen 3.051 N/A ARG 444.A NH1 VAL 474.A O no hydrogen 3.489 N/A ARG 444.A NH2 VAL 474.A O no hydrogen 3.264 N/A ASN 445.A ND2 PHE 221.A O no hydrogen 2.923 N/A HIS 446.A N ASP 443.A O no hydrogen 3.118 N/A HIS 446.A ND1 ASP 399.A OD2 no hydrogen 2.681 N/A SER 448.A N ASP 399.A OD1 no hydrogen 2.876 N/A SER 448.A OG TYR 395.A O no hydrogen 3.337 N/A SER 448.A OG ASP 399.A OD1 no hydrogen 2.763 N/A ILE 450.A N VAL 405.A O no hydrogen 3.016 N/A TRP 452.A N PRO 479.A O no hydrogen 3.026 N/A TRP 452.A NE1 ASP 475.A OD2 no hydrogen 2.828 N/A SER 453.A N ASP 407.A O no hydrogen 2.767 N/A SER 453.A OG GLU 408.A OE1 no hydrogen 2.673 N/A LEU 454.A N GLN 481.A O no hydrogen 3.202 N/A ASN 456.A N ILE 411.A O no hydrogen 2.918 N/A ASN 456.A ND2 GLU 412.A OE1 no hydrogen 2.786 N/A ASN 456.A ND2 GLU 457.A OE1 no hydrogen 2.969 N/A SER 458.A N TYR 482.A OH no hydrogen 2.986 N/A SER 458.A OG ILE 411.A O no hydrogen 3.438 N/A SER 458.A OG ASN 456.A O no hydrogen 2.978 N/A HIS 460.A NE2 ASP 465.A OD1 no hydrogen 2.924 N/A GLY 461.A N HIS 464.A ND1 no hydrogen 3.074 N/A ALA 462.A N ASP 424.A OD1 no hydrogen 2.757 N/A ASN 463.A N THR 423.A O no hydrogen 3.118 N/A ASN 463.A ND2 ASP 425.A O no hydrogen 3.003 N/A HIS 464.A N GLY 461.A O no hydrogen 3.011 N/A ALA 466.A N ALA 462.A O no hydrogen 3.099 N/A LEU 467.A N ASN 463.A O no hydrogen 3.083 N/A TYR 468.A N HIS 464.A O no hydrogen 2.774 N/A TYR 468.A OH ASP 493.A OD1 no hydrogen 2.481 N/A ARG 469.A N ASP 465.A O no hydrogen 3.108 N/A TRP 470.A N ALA 466.A O no hydrogen 2.934 N/A ILE 471.A N LEU 467.A O no hydrogen 3.011 N/A LYS 472.A N TYR 468.A O no hydrogen 3.146 N/A LYS 472.A NZ ASP 493.A OD2 no hydrogen 2.792 N/A SER 473.A N ARG 469.A O no hydrogen 3.010 N/A VAL 474.A N TRP 470.A O no hydrogen 2.992 N/A ASP 475.A N ILE 471.A O no hydrogen 2.758 N/A SER 477.A N ASP 475.A OD1 no hydrogen 3.181 N/A SER 477.A OG ASP 475.A OD1 no hydrogen 2.601 N/A SER 477.A OG ASP 475.A OD2 no hydrogen 3.531 N/A ARG 478.A NE VAL 449.A O no hydrogen 2.709 N/A ARG 478.A NH1 ARG 444.A O no hydrogen 2.884 N/A ARG 478.A NH1 ASP 475.A OD2 no hydrogen 2.948 N/A ARG 478.A NH2 ARG 444.A O no hydrogen 2.868 N/A ARG 478.A NH2 HIS 446.A O no hydrogen 2.743 N/A ARG 478.A NH2 VAL 449.A O no hydrogen 3.460 N/A VAL 480.A N ASP 493.A OD2 no hydrogen 2.927 N/A GLN 481.A N TRP 452.A O no hydrogen 2.778 N/A TYR 482.A N THR 492.A OG1 no hydrogen 3.068 N/A TYR 482.A OH GLY 459.A O no hydrogen 2.547 N/A THR 490.A OG1 ASP 465.A OD1 no hydrogen 2.954 N/A ALA 491.A N THR 489.A OG1 no hydrogen 3.217 N/A THR 492.A N THR 489.A O no hydrogen 3.407 N/A THR 492.A OG1 ILE 494.A O no hydrogen 2.621 N/A ASP 493.A N VAL 480.A O no hydrogen 2.768 N/A ILE 494.A N THR 492.A OG1 no hydrogen 3.268 N/A ILE 495.A N PRO 528.A O no hydrogen 2.926 N/A CYS 496.A N ALA 487.A O no hydrogen 3.111 N/A CYS 496.A SG THR 492.A OG1 no hydrogen 3.769 N/A CYS 496.A SG ILE 494.A O no hydrogen 3.452 N/A TYR 499.A N GLU 533.A O no hydrogen 2.791 N/A TYR 499.A OH GLU 533.A OE2 no hydrogen 2.823 N/A ARG 501.A NH1 GLU 504.A OE1 no hydrogen 2.999 N/A ARG 501.A NH1 PRO 997.A O no hydrogen 3.094 N/A ARG 501.A NH2 ASP 993.A OD2 no hydrogen 2.891 N/A ARG 501.A NH2 PRO 997.A O no hydrogen 3.032 N/A GLN 506.A N LYS 513.A O no hydrogen 2.880 N/A GLN 506.A NE2 TYR 499.A O no hydrogen 3.083 N/A PHE 508.A N GLN 506.A O no hydrogen 2.900 N/A VAL 511.A N PRO 509.A O no hydrogen 2.745 N/A LYS 513.A N GLN 506.A O no hydrogen 2.899 N/A LYS 513.A NZ MET 498.A O no hydrogen 3.048 N/A SER 515.A N ASP 505.A OD1 no hydrogen 2.900 N/A SER 515.A OG VAL 502.A O no hydrogen 2.742 N/A ILE 516.A N ARG 501.A O no hydrogen 3.004 N/A LYS 517.A NZ ASP 503.A OD1 no hydrogen 2.706 N/A LYS 518.A N SER 515.A OG no hydrogen 3.329 N/A LYS 518.A NZ ASP 505.A OD2 no hydrogen 2.817 N/A TRP 519.A N SER 515.A O no hydrogen 2.808 N/A TRP 519.A NE1 ASP 488.A OD2 no hydrogen 2.941 N/A SER 521.A N LYS 518.A O no hydrogen 3.161 N/A SER 521.A OG LYS 518.A O no hydrogen 3.318 N/A LEU 522.A N TRP 519.A O no hydrogen 3.389 N/A GLU 525.A N LEU 522.A O no hydrogen 2.871 N/A THR 526.A N GLU 525.A OE2 no hydrogen 3.153 N/A ARG 527.A N GLU 525.A OE2 no hydrogen 3.052 N/A ARG 527.A NE GLU 525.A OE2 no hydrogen 2.761 N/A ARG 527.A NH1 ASP 488.A O no hydrogen 3.296 N/A ARG 527.A NH1 THR 489.A O no hydrogen 2.935 N/A ARG 527.A NH1 THR 492.A O no hydrogen 2.954 N/A ARG 527.A NH2 ASP 488.A O no hydrogen 2.742 N/A ARG 527.A NH2 GLU 525.A OE1 no hydrogen 2.780 N/A ARG 527.A NH2 GLU 525.A OE2 no hydrogen 3.468 N/A LEU 529.A N ARG 557.A O no hydrogen 2.870 N/A ILE 530.A N ILE 495.A O no hydrogen 2.938 N/A LEU 531.A N GLY 560.A O no hydrogen 3.117 N/A CYS 532.A N PRO 497.A O no hydrogen 3.061 N/A CYS 532.A SG CYS 496.A O no hydrogen 3.380 N/A CYS 532.A SG PRO 497.A O no hydrogen 3.953 N/A CYS 532.A SG GLU 533.A OE1 no hydrogen 3.885 N/A TYR 534.A N PHE 562.A O no hydrogen 3.154 N/A HIS 536.A ND1 SER 994.A OG no hydrogen 2.829 N/A ALA 537.A N TRP 564.A O no hydrogen 2.802 N/A ASN 540.A ND2 GLU 930.A O no hydrogen 3.033 N/A SER 541.A OG HIS 536.A O no hydrogen 2.609 N/A LEU 542.A N SER 541.A OG no hydrogen 2.658 N/A GLY 543.A N GLY 990.A O no hydrogen 2.921 N/A GLY 544.A N ASP 904.A O no hydrogen 2.865 N/A PHE 545.A N LEU 542.A O no hydrogen 3.385 N/A LYS 547.A N GLY 544.A O no hydrogen 3.165 N/A LYS 547.A NZ GLU 1002.A OE2 no hydrogen 2.814 N/A TYR 548.A N PHE 545.A O no hydrogen 3.110 N/A TYR 548.A OH ALA 500.A O no hydrogen 2.627 N/A TRP 549.A N PHE 545.A O no hydrogen 3.422 N/A TRP 549.A NE1 TYR 534.A OH no hydrogen 2.840 N/A GLN 550.A N ALA 546.A O no hydrogen 2.971 N/A GLN 550.A NE2 GLN 554.A OE1 no hydrogen 3.271 N/A ALA 551.A N LYS 547.A O no hydrogen 3.295 N/A PHE 552.A N TYR 548.A O no hydrogen 2.791 N/A ARG 553.A N TRP 549.A O no hydrogen 2.940 N/A ARG 553.A NE GLU 637.A OE1 no hydrogen 3.111 N/A ARG 553.A NE GLU 637.A OE2 no hydrogen 2.743 N/A ARG 553.A NH1 GLN 619.A O no hydrogen 2.861 N/A ARG 553.A NH2 GLN 619.A O no hydrogen 2.904 N/A ARG 553.A NH2 GLU 637.A OE1 no hydrogen 3.071 N/A GLN 554.A N GLN 550.A O no hydrogen 3.033 N/A TYR 555.A N ALA 551.A O no hydrogen 2.951 N/A ARG 557.A NE ARG 527.A O no hydrogen 3.077 N/A ARG 557.A NH1 LEU 520.A O no hydrogen 3.205 N/A ARG 557.A NH2 LEU 520.A O no hydrogen 2.934 N/A ARG 557.A NH2 ARG 527.A O no hydrogen 2.728 N/A LEU 558.A N TYR 555.A O no hydrogen 3.060 N/A GLN 559.A N LEU 529.A O no hydrogen 2.968 N/A GLN 559.A NE2 LEU 338.A O no hydrogen 2.910 N/A GLN 559.A NE2 LEU 345.A O no hydrogen 2.880 N/A GLY 561.A N ILE 347.A O no hydrogen 3.282 N/A PHE 562.A N LEU 531.A O no hydrogen 2.838 N/A VAL 563.A N GLY 349.A O no hydrogen 2.949 N/A TRP 564.A N TYR 534.A O no hydrogen 3.027 N/A TRP 564.A NE1 ASN 600.A OD1 no hydrogen 2.904 N/A ASP 565.A N ASN 600.A O no hydrogen 3.051 N/A TRP 566.A N ASN 351.A O no hydrogen 2.823 N/A TRP 566.A NE1 ASP 371.A OD1 no hydrogen 2.813 N/A ASP 568.A N VAL 603.A O no hydrogen 3.080 N/A GLN 569.A N CYS 598.A O no hydrogen 2.995 N/A GLN 569.A NE2 ASP 197.A O no hydrogen 3.334 N/A LEU 571.A N ALA 583.A O no hydrogen 2.939 N/A ILE 572.A N PRO 357.A O no hydrogen 3.020 N/A LYS 573.A N TRP 581.A O no hydrogen 2.888 N/A LYS 573.A NZ ASP 587.A O no hydrogen 3.183 N/A ASP 575.A N ASN 579.A O no hydrogen 2.938 N/A ASN 577.A N ASP 575.A OD1 no hydrogen 2.887 N/A GLY 578.A N ASP 575.A O no hydrogen 2.863 N/A ASN 579.A N ASP 575.A OD1 no hydrogen 3.040 N/A TRP 581.A N LYS 573.A O no hydrogen 2.790 N/A ALA 583.A N LEU 571.A O no hydrogen 2.654 N/A TYR 584.A N ASP 587.A OD2 no hydrogen 2.751 N/A TYR 584.A OH SER 967.A O no hydrogen 2.630 N/A GLY 585.A N ARG 595.A O no hydrogen 2.886 N/A GLY 586.A N ASP 590.A OD2 no hydrogen 2.907 N/A ASP 587.A N TYR 584.A O no hydrogen 3.132 N/A PHE 588.A N ASP 590.A OD1 no hydrogen 2.999 N/A GLY 589.A N GLY 586.A O no hydrogen 3.361 N/A ASN 593.A ND2 ASP 590.A O no hydrogen 2.942 N/A ASP 594.A N TYR 96.A O no hydrogen 3.158 N/A ARG 595.A N ASN 593.A OD1 no hydrogen 2.862 N/A GLN 596.A N GLN 596.A OE1 no hydrogen 2.976 N/A GLN 596.A NE2 ASP 786.A OD1 no hydrogen 3.030 N/A PHE 597.A N ASP 594.A O no hydrogen 3.114 N/A CYS 598.A SG GLN 569.A O no hydrogen 3.617 N/A CYS 598.A SG ARG 595.A O no hydrogen 3.702 N/A MET 599.A N GLN 596.A O no hydrogen 2.958 N/A ASN 600.A ND2 PHE 597.A O no hydrogen 2.845 N/A GLY 601.A N ASP 568.A OD1 no hydrogen 2.917 N/A LEU 602.A N ASP 565.A O no hydrogen 2.954 N/A VAL 603.A N TRP 566.A O no hydrogen 2.939 N/A PHE 604.A N THR 608.A O no hydrogen 2.642 N/A ARG 607.A N PHE 604.A O no hydrogen 2.613 N/A ARG 607.A NE ASP 371.A OD1 no hydrogen 2.780 N/A ARG 607.A NH1 HIS 355.A O no hydrogen 3.036 N/A ARG 607.A NH1 ALA 605.A O no hydrogen 2.868 N/A ARG 607.A NH2 HIS 355.A O no hydrogen 3.020 N/A ARG 607.A NH2 ASP 371.A OD2 no hydrogen 2.833 N/A THR 608.A N ASP 606.A OD1 no hydrogen 2.978 N/A THR 608.A OG1 ASP 606.A OD1 no hydrogen 2.687 N/A HIS 610.A N LEU 602.A O no hydrogen 2.743 N/A LEU 613.A N HIS 610.A O no hydrogen 3.088 N/A THR 614.A N PRO 611.A O no hydrogen 3.209 N/A ALA 616.A N ALA 612.A O no hydrogen 3.036 N/A LYS 617.A N LEU 613.A O no hydrogen 2.881 N/A LYS 617.A NZ GLN 377.A O no hydrogen 3.479 N/A LYS 617.A NZ ILE 710.A O no hydrogen 2.712 N/A HIS 618.A N THR 614.A O no hydrogen 3.001 N/A HIS 618.A ND1 GLN 621.A OE1 no hydrogen 2.630 N/A GLN 619.A N GLU 615.A O no hydrogen 3.066 N/A GLN 619.A NE2 THR 907.A OG1 no hydrogen 2.817 N/A GLN 620.A N ALA 616.A O no hydrogen 2.958 N/A GLN 620.A NE2 ASN 378.A O no hydrogen 3.312 N/A GLN 620.A NE2 ASN 379.A O no hydrogen 3.387 N/A GLN 621.A N HIS 618.A O no hydrogen 3.324 N/A GLN 621.A NE2 TRP 713.A O no hydrogen 3.107 N/A GLN 624.A N THR 635.A O no hydrogen 2.789 N/A ARG 626.A N GLU 633.A O no hydrogen 3.053 N/A SER 628.A N THR 631.A O no hydrogen 2.983 N/A THR 631.A N SER 628.A O no hydrogen 3.002 N/A THR 631.A OG1 GLU 677.A OE1 no hydrogen 2.595 N/A ILE 632.A N ILE 676.A O no hydrogen 2.799 N/A GLU 633.A N ARG 626.A O no hydrogen 2.822 N/A VAL 634.A N GLN 674.A O no hydrogen 2.850 N/A THR 635.A N GLN 624.A O no hydrogen 2.772 N/A SER 636.A N GLY 672.A O no hydrogen 2.989 N/A GLU 637.A N PHE 622.A O no hydrogen 2.700 N/A TYR 638.A N SER 636.A OG no hydrogen 3.062 N/A LEU 639.A N GLU 300.A OE1 no hydrogen 3.121 N/A LEU 639.A N GLU 300.A OE2 no hydrogen 2.774 N/A PHE 640.A N GLU 300.A OE1 no hydrogen 2.720 N/A ARG 641.A N GLU 300.A OE1 no hydrogen 3.162 N/A ARG 641.A NH1 GLU 646.A OE1 no hydrogen 3.520 N/A ARG 641.A NH1 GLU 646.A OE2 no hydrogen 2.844 N/A ARG 641.A NH2 ASP 644.A OD1 no hydrogen 2.995 N/A ARG 641.A NH2 GLU 646.A OE1 no hydrogen 3.097 N/A ARG 641.A NH2 GLU 646.A OE2 no hydrogen 3.442 N/A HIS 642.A NE2 ASP 667.A OD1 no hydrogen 2.585 N/A SER 643.A N VAL 668.A O no hydrogen 3.009 N/A ASP 644.A N HIS 642.A O no hydrogen 2.874 N/A ASN 645.A N GLU 646.A OE1 no hydrogen 2.925 N/A ASN 645.A ND2 ASN 700.A O no hydrogen 3.025 N/A LEU 647.A N VAL 697.A O no hydrogen 2.800 N/A LEU 648.A N VAL 664.A O no hydrogen 2.704 N/A HIS 649.A N ARG 695.A O no hydrogen 2.773 N/A TRP 650.A N GLY 662.A O no hydrogen 2.919 N/A MET 651.A N THR 693.A O no hydrogen 2.815 N/A VAL 652.A N ALA 660.A O no hydrogen 2.801 N/A ALA 653.A N TRP 691.A O no hydrogen 3.005 N/A LEU 654.A N LYS 657.A O no hydrogen 2.759 N/A ASP 655.A N GLN 689.A O no hydrogen 3.361 N/A LYS 657.A N LEU 654.A O no hydrogen 2.886 N/A LEU 659.A N VAL 652.A O no hydrogen 2.843 N/A ALA 660.A N VAL 652.A O no hydrogen 3.274 N/A GLY 662.A N TRP 650.A O no hydrogen 3.112 N/A VAL 664.A N LEU 648.A O no hydrogen 2.840 N/A LEU 666.A N GLU 646.A O no hydrogen 3.201 N/A ASP 667.A N GLN 674.A OE1 no hydrogen 2.630 N/A VAL 668.A N SER 643.A OG no hydrogen 2.856 N/A GLN 671.A NE2 TYR 638.A O no hydrogen 2.861 N/A GLY 672.A N ALA 669.A O no hydrogen 2.729 N/A GLN 674.A N VAL 634.A O no hydrogen 2.853 N/A GLN 674.A NE2 PRO 665.A O no hydrogen 3.334 N/A ILE 676.A N ILE 632.A O no hydrogen 2.764 N/A LEU 678.A N GLN 630.A O no hydrogen 2.897 N/A SER 686.A OG ALA 687.A O no hydrogen 3.187 N/A GLY 688.A N ASN 721.A O no hydrogen 2.686 N/A GLN 689.A NE2 LEU 690.A O no hydrogen 3.085 N/A GLN 689.A NE2 LEU 718.A O no hydrogen 2.846 N/A LEU 690.A N ALA 719.A O no hydrogen 2.915 N/A TRP 691.A N ALA 653.A O no hydrogen 2.853 N/A LEU 692.A N TRP 716.A O no hydrogen 2.806 N/A THR 693.A N MET 651.A O no hydrogen 2.789 N/A VAL 694.A N GLN 714.A O no hydrogen 2.907 N/A ARG 695.A N HIS 649.A O no hydrogen 2.741 N/A VAL 696.A N ALA 712.A O no hydrogen 2.773 N/A VAL 697.A N LEU 647.A O no hydrogen 2.869 N/A GLN 698.A N HIS 709.A O no hydrogen 2.820 N/A ASN 700.A N ASN 645.A OD1 no hydrogen 2.947 N/A ASN 700.A ND2 ASN 645.A OD1 no hydrogen 3.179 N/A THR 702.A N SER 705.A O no hydrogen 2.790 N/A THR 702.A OG1 SER 705.A OG no hydrogen 2.701 N/A TRP 704.A N THR 702.A OG1 no hydrogen 3.083 N/A SER 705.A N THR 702.A OG1 no hydrogen 2.818 N/A SER 705.A OG THR 702.A OG1 no hydrogen 2.701 N/A GLY 708.A N GLN 698.A O no hydrogen 2.805 N/A HIS 709.A N GLU 706.A O no hydrogen 3.227 N/A SER 711.A N VAL 696.A O no hydrogen 2.890 N/A TRP 713.A N GLN 621.A OE1 no hydrogen 2.920 N/A TRP 713.A NE1 ALA 908.A O no hydrogen 2.888 N/A GLN 714.A N VAL 694.A O no hydrogen 2.988 N/A GLN 715.A N GLN 714.A OE1 no hydrogen 3.166 N/A GLN 715.A NE2 THR 693.A OG1 no hydrogen 2.970 N/A GLN 715.A NE2 PHE 911.A O no hydrogen 2.804 N/A TRP 716.A N LEU 692.A O no hydrogen 2.877 N/A LEU 718.A N LEU 690.A O no hydrogen 2.702 N/A ASN 721.A N GLY 688.A O no hydrogen 2.958 N/A HIS 735.A N GLU 746.A O no hydrogen 2.865 N/A THR 737.A N CYS 744.A O no hydrogen 2.712 N/A THR 737.A OG1 HIS 735.A ND1 no hydrogen 3.237 N/A SER 739.A N ASP 742.A O no hydrogen 2.911 N/A SER 739.A OG ASP 742.A O no hydrogen 3.430 N/A ASP 742.A N SER 739.A OG no hydrogen 2.990 N/A PHE 743.A N PHE 754.A O no hydrogen 2.999 N/A CYS 744.A N THR 737.A O no hydrogen 2.767 N/A ILE 745.A N TRP 752.A O no hydrogen 2.896 N/A GLU 746.A N HIS 735.A O no hydrogen 2.996 N/A LEU 747.A N LYS 750.A O no hydrogen 2.840 N/A LYS 750.A N LEU 747.A O no hydrogen 3.022 N/A ARG 751.A N TRP 765.A O no hydrogen 3.105 N/A ARG 751.A NH1 ASP 768.A OD1 no hydrogen 3.211 N/A TRP 752.A N ILE 745.A O no hydrogen 2.812 N/A GLN 753.A N GLN 763.A O no hydrogen 2.809 N/A GLN 753.A NE2 ASP 742.A OD1 no hydrogen 3.438 N/A PHE 754.A N PHE 743.A O no hydrogen 2.933 N/A ASN 755.A N PHE 760.A O no hydrogen 2.930 N/A ARG 756.A N MET 741.A O no hydrogen 2.747 N/A ARG 756.A NH1 SER 739.A O no hydrogen 2.758 N/A GLN 757.A N ASN 755.A OD1 no hydrogen 2.837 N/A SER 758.A N ASN 755.A OD1 no hydrogen 2.744 N/A SER 758.A OG ASN 755.A OD1 no hydrogen 3.387 N/A GLY 759.A N ASN 755.A O no hydrogen 2.730 N/A PHE 760.A N SER 758.A OG no hydrogen 3.405 N/A SER 762.A N GLN 753.A O no hydrogen 2.811 N/A SER 762.A OG GLN 753.A O no hydrogen 3.509 N/A GLN 763.A N GLN 753.A O no hydrogen 3.490 N/A GLN 763.A NE2 LEU 772.A O no hydrogen 2.885 N/A MET 764.A N GLN 763.A OE1 no hydrogen 3.126 N/A TRP 765.A N ARG 751.A O no hydrogen 2.770 N/A ILE 766.A N LYS 769.A O no hydrogen 3.088 N/A LYS 769.A N ILE 766.A O no hydrogen 3.148 N/A GLN 771.A N GLN 763.A OE1 no hydrogen 3.016 N/A GLN 771.A N MET 764.A O no hydrogen 2.889 N/A GLN 771.A NE2 LYS 769.A O no hydrogen 3.033 N/A LEU 772.A N GLN 763.A OE1 no hydrogen 2.800 N/A LEU 773.A N GLN 883.A O no hydrogen 2.764 N/A THR 774.A N GLN 883.A O no hydrogen 3.362 N/A THR 774.A OG1 GLN 883.A OE1 no hydrogen 2.929 N/A LEU 776.A N LEU 761.A O no hydrogen 3.042 N/A ARG 777.A N ASN 881.A O no hydrogen 2.987 N/A GLN 779.A N GLY 879.A O no hydrogen 2.803 N/A GLN 779.A NE2 ASN 981.A OD1 no hydrogen 2.773 N/A ARG 782.A NE ASP 788.A OD2 no hydrogen 2.814 N/A ARG 782.A NH1 HIS 986.A NE2 no hydrogen 3.059 N/A ARG 782.A NH1 MET 987.A O no hydrogen 3.088 N/A ARG 782.A NH1 GLY 988.A O no hydrogen 3.532 N/A ARG 782.A NH2 ASP 788.A OD1 no hydrogen 2.848 N/A ARG 782.A NH2 ASP 788.A OD2 no hydrogen 3.435 N/A ARG 782.A NH2 GLY 988.A O no hydrogen 3.019 N/A ALA 783.A N GLN 960.A OE1 no hydrogen 2.978 N/A LEU 785.A N ASP 788.A OD2 no hydrogen 3.053 N/A ASN 787.A ND2 SER 541.A OG no hydrogen 3.030 N/A ASN 787.A ND2 ILE 989.A O no hydrogen 3.043 N/A ILE 789.A N LEU 785.A O no hydrogen 2.963 N/A ALA 790.A N ASP 786.A O no hydrogen 2.858 N/A ALA 794.A N ASP 594.A OD1 no hydrogen 2.741 N/A ARG 796.A N GLU 793.A O no hydrogen 2.741 N/A ASN 800.A N ASP 798.A OD1 no hydrogen 2.967 N/A ALA 801.A N ASP 798.A O no hydrogen 2.912 N/A VAL 803.A N ASP 788.A O no hydrogen 3.069 N/A ARG 805.A N ALA 801.A O no hydrogen 2.963 N/A TRP 806.A N TRP 802.A O no hydrogen 2.842 N/A TRP 806.A NE1 HIS 874.A O no hydrogen 2.761 N/A LYS 807.A N VAL 803.A O no hydrogen 2.968 N/A LYS 807.A NZ GLU 804.A OE2 no hydrogen 2.845 N/A ALA 808.A N GLU 804.A O no hydrogen 3.064 N/A ALA 809.A N ARG 805.A O no hydrogen 2.994 N/A GLY 810.A N LYS 807.A O no hydrogen 3.008 N/A HIS 811.A N TRP 806.A O no hydrogen 2.981 N/A HIS 811.A NE2 THR 872.A OG1 no hydrogen 2.859 N/A TYR 812.A OH ARG 782.A O no hydrogen 2.763 N/A GLN 813.A N GLY 810.A O no hydrogen 3.044 N/A GLU 815.A N GLN 839.A O no hydrogen 3.411 N/A ALA 817.A N ALA 837.A O no hydrogen 2.774 N/A LEU 819.A N ALA 835.A O no hydrogen 2.848 N/A GLN 820.A N ALA 835.A O no hydrogen 3.291 N/A GLN 820.A NE2 THR 822.A OG1 no hydrogen 3.383 N/A THR 822.A N THR 833.A O no hydrogen 2.943 N/A ASP 824.A N LEU 831.A O no hydrogen 2.806 N/A LEU 826.A N ALA 829.A O no hydrogen 2.681 N/A VAL 830.A N ILE 854.A O no hydrogen 3.025 N/A LEU 831.A N ASP 824.A O no hydrogen 2.728 N/A ILE 832.A N TYR 852.A O no hydrogen 2.863 N/A THR 833.A N THR 822.A O no hydrogen 2.922 N/A THR 834.A N LYS 850.A O no hydrogen 2.899 N/A ALA 835.A N GLN 820.A O no hydrogen 3.038 N/A HIS 836.A N SER 848.A O no hydrogen 2.853 N/A HIS 836.A NE2 SER 758.A O no hydrogen 2.705 N/A ALA 837.A N ALA 817.A O no hydrogen 2.848 N/A TRP 838.A N PHE 846.A O no hydrogen 2.829 N/A GLN 839.A N GLU 815.A O no hydrogen 3.443 N/A GLN 839.A NE2 THR 844.A OG1 no hydrogen 3.093 N/A HIS 840.A N LYS 843.A O no hydrogen 2.878 N/A LYS 843.A N HIS 840.A O no hydrogen 3.081 N/A LYS 843.A NZ ASP 871.A OD1 no hydrogen 2.689 N/A LYS 843.A NZ ASP 871.A OD2 no hydrogen 3.173 N/A LEU 845.A N TRP 838.A O no hydrogen 2.719 N/A PHE 846.A N TRP 838.A O no hydrogen 3.514 N/A ILE 847.A N GLU 867.A O no hydrogen 2.905 N/A SER 848.A N HIS 836.A O no hydrogen 2.939 N/A SER 848.A OG ASP 778.A OD1 no hydrogen 3.517 N/A SER 848.A OG ASP 778.A OD2 no hydrogen 2.591 N/A ARG 849.A N ASP 865.A O no hydrogen 2.792 N/A ARG 849.A NH1 GLU 867.A OE2 no hydrogen 2.681 N/A ARG 849.A NH2 GLU 867.A OE2 no hydrogen 3.549 N/A LYS 850.A N THR 834.A O no hydrogen 2.866 N/A LYS 850.A NZ ASP 778.A OD1 no hydrogen 2.729 N/A LYS 850.A NZ ASP 778.A OD2 no hydrogen 3.541 N/A LYS 850.A NZ SER 848.A OG no hydrogen 3.043 N/A THR 851.A N THR 863.A O no hydrogen 3.029 N/A TYR 852.A N ILE 832.A O no hydrogen 2.723 N/A ARG 853.A N ALA 861.A O no hydrogen 2.849 N/A ARG 853.A NH2 ASP 828.A OD1 no hydrogen 3.126 N/A ILE 854.A N VAL 830.A O no hydrogen 3.027 N/A ASP 855.A N GLN 859.A O no hydrogen 3.199 N/A SER 857.A N ASP 855.A OD1 no hydrogen 3.035 N/A SER 857.A OG ASP 855.A OD1 no hydrogen 2.612 N/A SER 857.A OG ASP 855.A OD2 no hydrogen 3.503 N/A GLY 858.A N ASP 855.A O no hydrogen 3.260 N/A GLN 859.A N ASP 855.A OD1 no hydrogen 3.335 N/A MET 860.A N TRP 1016.A O no hydrogen 2.871 N/A ALA 861.A N ARG 853.A O no hydrogen 2.808 N/A ILE 862.A N LEU 1014.A O no hydrogen 2.752 N/A THR 863.A N THR 851.A O no hydrogen 2.941 N/A THR 863.A OG1 GLN 1013.A OE1 no hydrogen 3.135 N/A VAL 864.A N TYR 1012.A O no hydrogen 2.943 N/A ASP 865.A N ARG 849.A O no hydrogen 2.827 N/A VAL 866.A N TYR 1010.A O no hydrogen 2.827 N/A GLU 867.A N ILE 847.A O no hydrogen 2.842 N/A VAL 868.A N GLY 1008.A O no hydrogen 2.737 N/A ALA 869.A N LEU 845.A O no hydrogen 2.956 N/A THR 872.A N ALA 869.A O no hydrogen 3.176 N/A THR 872.A OG1 HIS 811.A NE2 no hydrogen 2.859 N/A ARG 877.A NE ASP 983.A OD1 no hydrogen 2.866 N/A ARG 877.A NE ASP 983.A OD2 no hydrogen 2.920 N/A ARG 877.A NH1 THR 781.A O no hydrogen 3.066 N/A ARG 877.A NH1 GLU 930.A OE1 no hydrogen 3.402 N/A ARG 877.A NH1 GLN 960.A OE1 no hydrogen 3.295 N/A ARG 877.A NH2 GLU 930.A OE1 no hydrogen 3.052 N/A ARG 877.A NH2 ASP 983.A OD2 no hydrogen 2.974 N/A ILE 878.A N PHE 985.A O no hydrogen 2.901 N/A GLY 879.A N GLN 779.A O no hydrogen 3.153 N/A LEU 880.A N ILE 982.A O no hydrogen 2.791 N/A ASN 881.A N ARG 777.A O no hydrogen 2.834 N/A ASN 881.A ND2 ASN 981.A OD1 no hydrogen 3.624 N/A CYS 882.A N LEU 980.A O no hydrogen 3.197 N/A GLN 883.A NE2 GLU 976.A O no hydrogen 2.257 N/A LEU 884.A N THR 978.A O no hydrogen 2.804 N/A ALA 885.A N GLN 771.A O no hydrogen 2.695 N/A ALA 888.A N TYR 942.A OH no hydrogen 2.908 N/A ARG 890.A NE ASP 915.A OD1 no hydrogen 2.748 N/A ARG 890.A NH2 ASP 915.A OD1 no hydrogen 2.875 N/A VAL 891.A N LEU 916.A O no hydrogen 2.820 N/A ASN 892.A N ASN 941.A O no hydrogen 3.126 N/A ASN 892.A ND2 ASP 915.A OD2 no hydrogen 3.229 N/A TRP 893.A N TRP 914.A O no hydrogen 2.914 N/A TRP 893.A NE1 LEU 896.A O no hydrogen 3.156 N/A LEU 894.A N GLU 939.A O no hydrogen 2.828 N/A GLY 895.A N ASP 912.A O no hydrogen 3.176 N/A LEU 896.A N CYS 935.A O no hydrogen 3.107 N/A GLY 897.A N CYS 910.A O no hydrogen 2.989 N/A ASN 901.A N LEU 933.A O no hydrogen 2.807 N/A ASN 901.A ND2 LEU 896.A O no hydrogen 3.182 N/A ASN 901.A ND2 GLN 899.A O no hydrogen 2.921 N/A TYR 902.A N ARG 905.A O no hydrogen 3.141 N/A TYR 902.A OH GLU 930.A OE2 no hydrogen 2.636 N/A ARG 905.A N TYR 902.A O no hydrogen 2.762 N/A ARG 905.A NH1 ASN 540.A OD1 no hydrogen 2.925 N/A ARG 905.A NH1 SER 541.A O no hydrogen 2.919 N/A ARG 905.A NH1 GLU 900.A OE2 no hydrogen 3.564 N/A ARG 905.A NH2 GLU 900.A O no hydrogen 3.196 N/A ARG 905.A NH2 GLU 900.A OE2 no hydrogen 2.739 N/A THR 907.A N GLU 615.A OE2 no hydrogen 3.249 N/A THR 907.A OG1 GLU 615.A OE2 no hydrogen 2.626 N/A ALA 908.A N GLU 615.A OE1 no hydrogen 2.961 N/A ALA 909.A N LEU 906.A O no hydrogen 3.191 N/A CYS 910.A N GLY 897.A O no hydrogen 2.920 N/A PHE 911.A N GLN 715.A OE1 no hydrogen 2.768 N/A ASP 912.A N GLY 895.A O no hydrogen 3.177 N/A ARG 913.A N ASP 912.A OD1 no hydrogen 2.775 N/A ARG 913.A NH1 ASN 892.A OD1 no hydrogen 2.868 N/A ARG 913.A NH1 GLU 939.A OE2 no hydrogen 2.847 N/A ARG 913.A NH2 GLU 939.A OE1 no hydrogen 3.523 N/A TRP 914.A N TRP 893.A O no hydrogen 2.853 N/A TRP 914.A NE1 CYS 910.A O no hydrogen 2.956 N/A LEU 916.A N VAL 891.A O no hydrogen 2.971 N/A LEU 918.A N GLU 889.A O no hydrogen 2.949 N/A ASP 920.A N PRO 917.A O no hydrogen 2.925 N/A MET 921.A N LEU 918.A O no hydrogen 2.928 N/A TYR 922.A N SER 919.A O no hydrogen 3.303 N/A THR 923.A N ASN 931.A OD1 no hydrogen 2.846 N/A THR 923.A OG1 GLU 900.A OE1 no hydrogen 2.673 N/A TYR 925.A N THR 923.A O no hydrogen 2.827 N/A TYR 925.A OH GLU 900.A OE2 no hydrogen 2.626 N/A SER 929.A OG GLU 930.A O no hydrogen 3.025 N/A GLU 930.A N ALA 783.A O no hydrogen 2.887 N/A ASN 931.A ND2 SER 929.A O no hydrogen 2.918 N/A GLY 932.A N GLU 900.A OE1 no hydrogen 2.738 N/A LEU 933.A N TYR 902.A OH no hydrogen 3.500 N/A ARG 934.A N PHE 953.A O no hydrogen 2.964 N/A ARG 934.A NE PRO 898.A O no hydrogen 3.079 N/A ARG 934.A NH1 GLY 932.A O no hydrogen 2.861 N/A ARG 934.A NH2 PRO 898.A O no hydrogen 2.988 N/A ARG 934.A NH2 ASP 920.A O no hydrogen 3.115 N/A CYS 935.A N ASN 901.A OD1 no hydrogen 2.810 N/A CYS 935.A SG ASN 901.A O no hydrogen 3.434 N/A GLY 936.A N GLN 952.A OE1 no hydrogen 3.096 N/A THR 937.A N PHE 951.A O no hydrogen 2.910 N/A THR 937.A OG1 CYS 935.A O no hydrogen 3.185 N/A ARG 938.A N LEU 894.A O no hydrogen 2.722 N/A ARG 938.A NE GLY 949.A O no hydrogen 2.850 N/A GLU 939.A N LEU 894.A O no hydrogen 3.422 N/A LEU 940.A N TRP 947.A O no hydrogen 2.772 N/A ASN 941.A N ASN 892.A O no hydrogen 2.696 N/A ASN 941.A ND2 ASN 892.A O no hydrogen 3.628 N/A ASN 941.A ND2 ASN 892.A OD1 no hydrogen 2.941 N/A ASN 941.A ND2 GLU 939.A OE2 no hydrogen 2.593 N/A TYR 942.A N HIS 945.A O no hydrogen 3.125 N/A TYR 942.A OH THR 978.A OG1 no hydrogen 2.623 N/A HIS 945.A N TYR 942.A O no hydrogen 3.159 N/A GLN 946.A N CYS 1017.A O no hydrogen 2.937 N/A GLN 946.A NE2 ASN 941.A OD1 no hydrogen 2.936 N/A TRP 947.A N LEU 940.A O no hydrogen 2.849 N/A ARG 948.A N VAL 1015.A O no hydrogen 2.853 N/A ARG 948.A NE GLN 946.A OE1 no hydrogen 3.324 N/A GLY 949.A N ARG 938.A O no hydrogen 3.015 N/A PHE 951.A N THR 937.A O no hydrogen 2.935 N/A GLN 952.A N ASP 983.A O no hydrogen 2.794 N/A GLN 952.A NE2 GLY 984.A O no hydrogen 3.105 N/A PHE 953.A N ARG 934.A O no hydrogen 3.125 N/A ASN 954.A N ASN 981.A O no hydrogen 2.831 N/A ASN 954.A ND2 GLU 930.A OE2 no hydrogen 2.834 N/A SER 956.A N TRP 979.A O no hydrogen 3.152 N/A ARG 957.A NE GLU 975.A O no hydrogen 3.128 N/A ARG 957.A NE GLY 977.A O no hydrogen 2.792 N/A ARG 957.A NH2 GLU 975.A O no hydrogen 2.733 N/A TYR 958.A N SER 956.A OG no hydrogen 3.122 N/A SER 959.A N GLU 975.A OE2 no hydrogen 2.992 N/A SER 959.A OG GLU 975.A OE1 no hydrogen 3.520 N/A SER 959.A OG GLU 975.A OE2 no hydrogen 2.713 N/A GLN 961.A NE2 GLU 965.A OE2 no hydrogen 3.111 N/A GLN 962.A N SER 959.A OG no hydrogen 3.125 N/A GLN 962.A NE2 HIS 973.A O no hydrogen 3.064 N/A GLN 962.A NE2 GLU 975.A OE2 no hydrogen 2.713 N/A LEU 963.A N SER 959.A O no hydrogen 2.996 N/A MET 964.A N GLN 960.A O no hydrogen 2.899 N/A GLU 965.A N GLN 961.A O no hydrogen 2.990 N/A GLU 965.A N GLN 962.A O no hydrogen 3.067 N/A THR 966.A OG1 GLN 962.A O no hydrogen 2.555 N/A SER 967.A OG HIS 968.A ND1 no hydrogen 2.704 N/A HIS 968.A ND1 SER 967.A OG no hydrogen 2.704 N/A HIS 968.A NE2 ASP 587.A OD2 no hydrogen 2.700 N/A ARG 969.A N VAL 926.A O no hydrogen 2.861 N/A ARG 969.A NH1 PRO 924.A O no hydrogen 2.852 N/A LEU 971.A N HIS 968.A O no hydrogen 3.076 N/A LEU 972.A N ARG 969.A O no hydrogen 3.156 N/A HIS 973.A N GLN 962.A OE1 no hydrogen 2.763 N/A GLU 975.A N ARG 957.A O no hydrogen 2.859 N/A THR 978.A N LEU 884.A O no hydrogen 2.866 N/A THR 978.A OG1 GLN 886.A O no hydrogen 2.810 N/A THR 978.A OG1 TYR 942.A OH no hydrogen 2.623 N/A TRP 979.A N SER 956.A O no hydrogen 2.741 N/A TRP 979.A NE1 GLU 975.A OE1 no hydrogen 2.863 N/A LEU 980.A N CYS 882.A O no hydrogen 2.956 N/A ASN 981.A N ASN 954.A O no hydrogen 2.918 N/A ASN 981.A ND2 ASN 954.A OD1 no hydrogen 2.673 N/A ILE 982.A N LEU 880.A O no hydrogen 2.895 N/A ASP 983.A N GLN 952.A O no hydrogen 2.564 N/A GLY 984.A N ILE 878.A O no hydrogen 2.907 N/A PHE 985.A N ILE 878.A O no hydrogen 3.232 N/A HIS 986.A ND1 ASP 983.A OD2 no hydrogen 2.862 N/A MET 987.A N ALA 876.A O no hydrogen 2.809 N/A GLY 988.A N PHE 1003.A O no hydrogen 2.909 N/A ILE 989.A N ASP 904.A OD1 no hydrogen 2.844 N/A GLY 990.A N ASP 904.A OD2 no hydrogen 2.749 N/A GLY 991.A N SER 998.A OG no hydrogen 2.956 N/A SER 994.A OG HIS 536.A ND1 no hydrogen 2.829 N/A SER 994.A OG ASN 787.A OD1 no hydrogen 2.623 N/A TRP 995.A N ASP 993.A OD1 no hydrogen 3.102 N/A SER 996.A OG ASP 993.A OD1 no hydrogen 2.722 N/A SER 996.A OG ASP 993.A OD2 no hydrogen 3.121 N/A SER 998.A OG ASP 993.A O no hydrogen 3.085 N/A SER 1000.A OG GLU 1002.A OE1 no hydrogen 2.675 N/A SER 1000.A OG GLU 1002.A OE2 no hydrogen 3.439 N/A GLU 1002.A N GLU 1002.A OE1 no hydrogen 2.693 N/A PHE 1003.A N SER 1000.A O no hydrogen 2.911 N/A GLN 1004.A N ALA 1001.A O no hydrogen 3.236 N/A GLN 1004.A NE2 VAL 999.A O no hydrogen 2.896 N/A SER 1006.A N GLN 1004.A O no hydrogen 3.031 N/A ALA 1007.A N TYR 1010.A OH no hydrogen 2.858 N/A TYR 1010.A N VAL 866.A O no hydrogen 2.827 N/A HIS 1011.A ND1 ASP 865.A OD1 no hydrogen 2.708 N/A TYR 1012.A N VAL 864.A O no hydrogen 3.074 N/A LEU 1014.A N ILE 862.A O no hydrogen 2.949 N/A VAL 1015.A N ARG 948.A O no hydrogen 2.756 N/A TRP 1016.A N MET 860.A O no hydrogen 2.852 N/A TRP 1016.A NE1 HIS 945.A ND1 no hydrogen 3.159 N/A CYS 1017.A N GLN 946.A O no hydrogen 2.957 N/A CYS 1017.A SG GLN 859.A OE1 no hydrogen 3.937 N/A CYS 1017.A SG GLN 946.A OE1 no hydrogen 3.758 N/A LYS 1019.A N PRO 944.A O no hydrogen 2.820 N/A