Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gq8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N HIS 1.A O no hydrogen 3.236 N/A VAL 6.A N PHE 2.A O no hydrogen 3.040 N/A ILE 7.A N ALA 3.A O no hydrogen 2.902 N/A GLN 8.A N ASP 4.A O no hydrogen 3.022 N/A VAL 9.A N LEU 5.A O no hydrogen 3.222 N/A ILE 10.A N VAL 6.A O no hydrogen 3.035 N/A ASP 11.A N ILE 7.A O no hydrogen 2.789 N/A GLU 12.A N GLN 8.A O no hydrogen 3.121 N/A LEU 13.A N VAL 9.A O no hydrogen 3.208 N/A LEU 13.A N ILE 10.A O no hydrogen 3.019 N/A LYS 14.A N ASP 11.A O no hydrogen 3.195 N/A GLY 17.A N LYS 14.A O no hydrogen 3.451 N/A VAL 18.A N PRO 46.A O no hydrogen 2.843 N/A VAL 20.A N TYR 48.A O no hydrogen 3.000 N/A LYS 21.A N SER 19.A OG no hydrogen 3.066 N/A LYS 21.A NZ LYS 26.A O no hydrogen 3.277 N/A THR 22.A N SER 19.A O no hydrogen 3.223 N/A TYR 23.A N VAL 20.A O no hydrogen 3.021 N/A GLY 24.A N LYS 21.A O no hydrogen 3.140 N/A ALA 25.A N VAL 20.A O no hydrogen 3.196 N/A LYS 26.A N ASP 33.A OD1 no hydrogen 2.826 N/A LYS 26.A N ASP 33.A OD2 no hydrogen 3.293 N/A LYS 26.A NZ GLY 24.A O no hydrogen 3.263 N/A GLY 27.A N ASP 33.A OD2 no hydrogen 2.881 N/A GLY 29.A N THR 53.A O no hydrogen 2.887 N/A VAL 30.A N ASP 28.A OD1 no hydrogen 2.852 N/A THR 31.A N ASP 28.A OD1 no hydrogen 2.720 N/A THR 31.A OG1 ASP 28.A OD1 no hydrogen 3.305 N/A THR 31.A OG1 ASP 28.A OD2 no hydrogen 2.662 N/A ASP 33.A N MET 55.A O no hydrogen 2.792 N/A ILE 34.A N ASP 32.A OD1 no hydrogen 3.191 N/A ARG 35.A NH1 GLU 38.A OE1 no hydrogen 2.847 N/A PHE 37.A N ASP 33.A O no hydrogen 3.215 N/A GLU 38.A N ILE 34.A O no hydrogen 2.870 N/A LYS 39.A N ARG 35.A O no hydrogen 2.845 N/A LYS 39.A NZ TYR 23.A O no hydrogen 3.312 N/A ALA 40.A N ALA 36.A O no hydrogen 2.957 N/A ILE 41.A N PHE 37.A O no hydrogen 2.858 N/A GLU 42.A N GLU 38.A O no hydrogen 3.025 N/A SER 43.A N ALA 40.A O no hydrogen 3.157 N/A SER 43.A OG ALA 40.A O no hydrogen 2.668 N/A PHE 45.A N SER 43.A OG no hydrogen 3.169 N/A VAL 47.A N VAL 67.A O no hydrogen 2.769 N/A TYR 48.A N VAL 18.A O no hydrogen 2.768 N/A VAL 49.A N THR 69.A O no hydrogen 2.768 N/A GLY 52.A N ASN 75.A O no hydrogen 2.974 N/A THR 53.A N GLY 27.A O no hydrogen 3.318 N/A PHE 54.A N VAL 77.A O no hydrogen 2.734 N/A VAL 56.A N ARG 79.A O no hydrogen 2.930 N/A SER 57.A N ASP 32.A OD1 no hydrogen 3.131 N/A SER 57.A OG ASP 32.A OD1 no hydrogen 3.506 N/A SER 57.A OG ASP 32.A OD2 no hydrogen 2.670 N/A ARG 58.A NE GLU 38.A OE2 no hydrogen 3.159 N/A ARG 58.A NH2 GLU 38.A OE1 no hydrogen 2.814 N/A ARG 58.A NH2 GLU 38.A OE2 no hydrogen 3.522 N/A GLY 59.A N GLU 88.A OE2 no hydrogen 2.883 N/A ILE 60.A N LEU 90.A O no hydrogen 2.791 N/A LEU 62.A N TYR 92.A O no hydrogen 2.794 N/A SER 64.A OG ASN 100.A OD1 no hydrogen 3.252 N/A ASN 65.A N GLU 101.A O no hydrogen 2.835 N/A THR 66.A N ASN 102.A O no hydrogen 3.039 N/A THR 66.A OG1 PRO 63.A O no hydrogen 2.623 N/A LEU 68.A N PHE 104.A O no hydrogen 2.895 N/A THR 69.A N VAL 47.A O no hydrogen 2.905 N/A GLY 70.A N SER 106.A O no hydrogen 2.863 N/A ALA 71.A N VAL 49.A O no hydrogen 2.837 N/A LYS 73.A NZ ASN 184.A O no hydrogen 2.841 N/A ARG 74.A N THR 109.A OG1 no hydrogen 2.751 N/A ARG 74.A NE GLU 146.A OE1 no hydrogen 3.443 N/A ARG 74.A NE GLU 146.A OE2 no hydrogen 3.050 N/A ARG 74.A NH2 GLU 146.A OE2 no hydrogen 3.020 N/A ASN 75.A N GLY 72.A O no hydrogen 3.109 N/A ALA 76.A N GLY 72.A O no hydrogen 2.995 N/A VAL 77.A N GLY 52.A O no hydrogen 2.881 N/A ILE 78.A N THR 109.A O no hydrogen 2.796 N/A ARG 79.A N PHE 54.A O no hydrogen 2.970 N/A ARG 79.A NE ASP 111.A OD1 no hydrogen 2.813 N/A PHE 80.A N ASP 111.A O no hydrogen 3.282 N/A MET 81.A N VAL 56.A O no hydrogen 2.911 N/A VAL 84.A N MET 81.A O no hydrogen 3.122 N/A ARG 86.A NE GLU 129.A OE1 no hydrogen 3.307 N/A ARG 86.A NE GLU 129.A OE2 no hydrogen 2.958 N/A ARG 86.A NH2 GLU 129.A OE1 no hydrogen 2.809 N/A GLY 87.A N GLU 129.A OE2 no hydrogen 2.984 N/A SER 89.A OG SER 133.A OG no hydrogen 2.633 N/A LEU 90.A N SER 130.A O no hydrogen 3.044 N/A MET 91.A N ASN 131.A O no hydrogen 2.992 N/A TYR 92.A N ILE 60.A O no hydrogen 3.008 N/A TYR 92.A OH GLU 88.A OE1 no hydrogen 2.387 N/A ASN 93.A ND2 SER 133.A O no hydrogen 3.525 N/A GLU 94.A N LEU 62.A O no hydrogen 2.766 N/A THR 97.A OG1.B ASN 95.A OD1 no hydrogen 3.457 N/A THR 98.A N ASN 95.A OD1 no hydrogen 3.114 N/A GLY 99.A N ASN 95.A O no hydrogen 2.921 N/A ASN 100.A ND2 ASN 93.A OD1 no hydrogen 3.040 N/A GLU 101.A N SER 64.A OG no hydrogen 2.940 N/A ASN 102.A N HIS 138.A O no hydrogen 2.948 N/A ASN 102.A ND2 ASN 65.A OD1 no hydrogen 2.950 N/A ILE 103.A N ASN 139.A O no hydrogen 3.019 N/A PHE 104.A N THR 66.A O no hydrogen 2.876 N/A LEU 105.A N TYR 141.A O no hydrogen 2.871 N/A SER 106.A N LEU 68.A O no hydrogen 3.058 N/A SER 107.A N ARG 143.A O no hydrogen 3.033 N/A THR 109.A N ALA 76.A O no hydrogen 2.893 N/A THR 109.A OG1 GLU 146.A OE1 no hydrogen 2.835 N/A LEU 110.A N GLU 146.A O no hydrogen 2.718 N/A ASP 111.A N ILE 78.A O no hydrogen 2.780 N/A GLY 112.A N VAL 148.A O no hydrogen 3.012 N/A ASN 113.A N ASP 111.A OD2 no hydrogen 2.949 N/A ASN 114.A N ASP 149.A O no hydrogen 3.134 N/A LYS 115.A N ASP 149.A OD2 no hydrogen 2.987 N/A ARG 116.A N ASN 113.A O no hydrogen 3.199 N/A ARG 116.A NE VAL 84.A O no hydrogen 2.823 N/A ARG 116.A NH1 ASN 113.A O no hydrogen 3.052 N/A ARG 116.A NH2 VAL 84.A O no hydrogen 3.369 N/A ARG 116.A NH2 GLY 85.A O no hydrogen 2.864 N/A LEU 117.A N ASN 114.A O no hydrogen 2.930 N/A GLY 118.A N LYS 115.A O no hydrogen 3.000 N/A SER 122.A OG THR 151.A O no hydrogen 3.414 N/A GLY 123.A N SER 122.A OG no hydrogen 2.717 N/A ILE 124.A N GLU 129.A OE1 no hydrogen 2.833 N/A SER 127.A N LEU 162.A O no hydrogen 2.816 N/A SER 127.A OG LEU 162.A O no hydrogen 2.602 N/A ARG 128.A N GLY 125.A O no hydrogen 3.314 N/A ARG 128.A NH1 GLY 125.A O no hydrogen 2.820 N/A ARG 128.A NH1 ASP 163.A OD1 no hydrogen 2.818 N/A ARG 128.A NH2 ASP 163.A OD1 no hydrogen 3.308 N/A GLU 129.A N SER 89.A OG no hydrogen 3.210 N/A SER 130.A N SER 89.A OG no hydrogen 3.099 N/A ASN 131.A N HIS 153.A O no hydrogen 3.019 N/A ASN 131.A ND2 VAL 148.A O no hydrogen 2.956 N/A LEU 132.A N GLY 154.A O no hydrogen 2.990 N/A SER 133.A N MET 91.A O no hydrogen 2.984 N/A SER 133.A OG SER 89.A OG no hydrogen 2.633 N/A ILE 134.A N ASP 156.A O no hydrogen 2.811 N/A ARG 135.A NE SER 127.A OG no hydrogen 2.998 N/A ARG 135.A NH2 SER 127.A O no hydrogen 3.240 N/A ALA 136.A N THR 158.A O no hydrogen 2.986 N/A CYS 137.A N SER 177.A OG no hydrogen 3.099 N/A CYS 137.A SG ARG 135.A O no hydrogen 3.500 N/A HIS 138.A N ASN 100.A O no hydrogen 3.002 N/A ASN 139.A N GLU 178.A O no hydrogen 3.012 N/A ASN 139.A ND2 ASN 102.A OD1 no hydrogen 2.986 N/A VAL 140.A N ASN 179.A O no hydrogen 3.052 N/A TYR 141.A N ILE 103.A O no hydrogen 2.902 N/A ILE 142.A N TRP 181.A O no hydrogen 2.749 N/A ARG 143.A N LEU 105.A O no hydrogen 2.909 N/A ASP 144.A N GLU 183.A O no hydrogen 3.029 N/A GLU 146.A N PHE 108.A O no hydrogen 3.046 N/A ALA 147.A N GLU 186.A O no hydrogen 2.703 N/A VAL 148.A N LEU 110.A O no hydrogen 2.837 N/A CYS 150.A N GLY 189.A O no hydrogen 3.035 N/A CYS 150.A SG THR 188.A O no hydrogen 3.677 N/A THR 151.A OG1 ASN 114.A OD1 no hydrogen 3.008 N/A LEU 152.A N GLU 129.A O no hydrogen 2.979 N/A HIS 153.A N SER 130.A OG no hydrogen 3.166 N/A HIS 153.A NE2 TYR 164.A OH no hydrogen 3.049 N/A GLY 154.A N ASP 193.A O no hydrogen 3.111 N/A ILE 155.A N GLY 194.A O no hydrogen 2.949 N/A ASP 156.A N LEU 132.A O no hydrogen 2.875 N/A ILE 157.A N THR 196.A O no hydrogen 2.977 N/A THR 158.A N ILE 134.A O no hydrogen 2.770 N/A CYS 159.A SG GLY 160.A O no hydrogen 3.851 N/A GLY 160.A N ASN 175.A O no hydrogen 2.969 N/A GLY 161.A N VAL 96.A O no hydrogen 2.806 N/A TYR 164.A OH HIS 153.A NE2 no hydrogen 3.049 N/A TYR 164.A OH ASP 156.A OD1 no hydrogen 2.644 N/A GLY 168.A N ASP 252.A O no hydrogen 2.829 N/A THR 171.A OG1 GLY 168.A O no hydrogen 2.676 N/A SER 177.A N SER 200.A OG no hydrogen 3.180 N/A SER 177.A OG THR 158.A O no hydrogen 2.727 N/A GLU 178.A N CYS 137.A O no hydrogen 2.774 N/A ASN 179.A N GLN 201.A O no hydrogen 3.296 N/A ASN 179.A ND2 ASN 139.A OD1 no hydrogen 2.692 N/A ASN 179.A ND2 TYR 141.A OH no hydrogen 3.533 N/A ILE 180.A N TYR 202.A O no hydrogen 3.005 N/A TRP 181.A N VAL 140.A O no hydrogen 2.916 N/A TRP 181.A NE1 ASN 179.A OD1 no hydrogen 2.935 N/A ILE 182.A N ASN 204.A O no hydrogen 2.901 N/A GLU 183.A N ILE 142.A O no hydrogen 2.883 N/A ASN 184.A N LEU 206.A O no hydrogen 3.021 N/A CYS 185.A SG ILE 142.A O no hydrogen 3.776 N/A CYS 185.A SG GLU 183.A O no hydrogen 3.467 N/A GLU 186.A N ILE 145.A O no hydrogen 2.941 N/A ALA 187.A N TYR 209.A O no hydrogen 2.887 N/A THR 188.A N ALA 147.A O no hydrogen 2.991 N/A THR 188.A OG1 HIS 211.A O no hydrogen 2.783 N/A GLY 189.A N ASP 212.A O no hydrogen 3.088 N/A GLY 191.A N LEU 152.A O no hydrogen 2.864 N/A ASP 192.A N LEU 152.A O no hydrogen 3.022 N/A ASP 193.A N HIS 153.A ND1 no hydrogen 3.168 N/A GLY 194.A N ASN 220.A O no hydrogen 3.033 N/A ILE 195.A N GLY 221.A O no hydrogen 3.013 N/A THR 196.A N ILE 155.A O no hydrogen 2.954 N/A THR 196.A OG1 GLU 223.A O no hydrogen 2.763 N/A THR 197.A N GLU 223.A O no hydrogen 3.023 N/A THR 197.A OG1 SER 228.A OG no hydrogen 2.670 N/A HIS 198.A N ILE 157.A O no hydrogen 2.670 N/A HIS 198.A ND1 ASP 156.A OD2 no hydrogen 2.839 N/A HIS 199.A N ASP 226.A O no hydrogen 2.776 N/A SER 200.A OG HIS 198.A O no hydrogen 2.733 N/A GLN 201.A N SER 177.A O no hydrogen 3.032 N/A ILE 203.A N HIS 230.A O no hydrogen 3.164 N/A ASN 204.A N ILE 180.A O no hydrogen 2.994 N/A ILE 205.A N VAL 232.A O no hydrogen 2.763 N/A LEU 206.A N ILE 182.A O no hydrogen 2.880 N/A ASN 207.A N SER 234.A O no hydrogen 3.020 N/A CYS 208.A N ASN 236.A OD1 no hydrogen 2.740 N/A CYS 208.A SG ILE 182.A O no hydrogen 3.673 N/A CYS 208.A SG LEU 206.A O no hydrogen 3.476 N/A TYR 209.A N CYS 185.A O no hydrogen 2.836 N/A SER 210.A N ARG 237.A O no hydrogen 3.029 N/A SER 210.A OG.A GLY 221.A O no hydrogen 2.772 N/A SER 210.A OG.B GLY 221.A O no hydrogen 3.053 N/A HIS 211.A N ALA 187.A O no hydrogen 2.973 N/A HIS 211.A ND1 ASP 212.A OD2 no hydrogen 3.115 N/A HIS 211.A NE2 GLU 186.A OE1 no hydrogen 2.593 N/A ASP 212.A N LYS 239.A O no hydrogen 2.946 N/A ARG 214.A N PHE 190.A O no hydrogen 2.828 N/A ARG 214.A NE CYS 150.A O no hydrogen 3.310 N/A ARG 214.A NE GLY 189.A O no hydrogen 3.058 N/A ARG 214.A NH1 ILE 121.A O no hydrogen 2.931 N/A ARG 214.A NH2 ILE 121.A O no hydrogen 2.871 N/A ARG 214.A NH2 CYS 150.A O no hydrogen 2.842 N/A ASN 218.A ND2 GLU 246.A OE1 no hydrogen 3.056 N/A CYS 219.A N ALA 217.A O no hydrogen 2.827 N/A CYS 219.A SG GLY 191.A O no hydrogen 3.472 N/A ASN 220.A N ASP 193.A OD1 no hydrogen 2.791 N/A ASN 220.A ND2 ASN 218.A OD1 no hydrogen 3.234 N/A ASN 220.A ND2 GLU 223.A OE2 no hydrogen 2.764 N/A GLY 221.A N GLY 243.A O no hydrogen 2.947 N/A PHE 222.A N GLY 244.A O no hydrogen 3.018 N/A GLU 223.A N ILE 195.A O no hydrogen 2.914 N/A ILE 224.A N GLU 246.A O no hydrogen 2.765 N/A ASP 225.A N THR 197.A O no hydrogen 2.931 N/A GLY 227.A N PRO 254.A O no hydrogen 2.897 N/A SER 228.A N ASP 225.A O no hydrogen 3.051 N/A SER 228.A OG THR 197.A OG1 no hydrogen 2.670 N/A SER 228.A OG ASP 225.A O no hydrogen 2.864 N/A ARG 229.A N SER 200.A O no hydrogen 3.022 N/A ARG 229.A NH1 GLY 227.A O no hydrogen 2.764 N/A HIS 230.A N TYR 257.A O no hydrogen 3.283 N/A HIS 230.A N ASN 258.A O no hydrogen 3.123 N/A VAL 232.A N ILE 203.A O no hydrogen 2.822 N/A LEU 233.A N SER 260.A O no hydrogen 2.919 N/A SER 234.A N ILE 205.A O no hydrogen 2.918 N/A SER 234.A OG ASN 262.A O no hydrogen 2.759 N/A ASN 235.A N GLY 263.A O no hydrogen 3.031 N/A ASN 236.A ND2 ILE 205.A O no hydrogen 2.986 N/A ARG 237.A N CYS 208.A O no hydrogen 2.870 N/A SER 238.A N MET 265.A O no hydrogen 2.996 N/A SER 238.A OG HIS 264.A NE2 no hydrogen 2.982 N/A SER 238.A OG ASP 269.A OD2 no hydrogen 2.800 N/A LYS 239.A N SER 210.A O no hydrogen 3.008 N/A GLY 240.A N VAL 267.A O no hydrogen 2.969 N/A CYS 241.A N ASP 269.A OD1 no hydrogen 2.849 N/A CYS 241.A SG LYS 239.A O no hydrogen 3.589 N/A TYR 242.A N CYS 219.A O no hydrogen 2.847 N/A GLY 243.A N ASN 220.A OD1 no hydrogen 2.682 N/A GLY 244.A N ARG 271.A O no hydrogen 3.100 N/A ILE 245.A N SER 272.A O no hydrogen 2.911 N/A GLU 246.A N PHE 222.A O no hydrogen 2.836 N/A ILE 247.A N ASN 274.A O no hydrogen 3.066 N/A LYS 248.A N ILE 224.A O no hydrogen 2.993 N/A LYS 248.A NZ ASP 225.A OD1 no hydrogen 2.889 N/A LYS 248.A NZ GLU 246.A OE1 no hydrogen 2.965 N/A HIS 250.A N ASP 226.A OD1 no hydrogen 2.753 N/A HIS 250.A ND1 ASP 226.A OD1 no hydrogen 3.169 N/A HIS 250.A ND1 ASP 226.A OD2 no hydrogen 2.903 N/A ALA 253.A N HIS 250.A O no hydrogen 3.290 N/A ALA 255.A N SER 290.A OG no hydrogen 2.759 N/A ALA 256.A N LYS 248.A O no hydrogen 3.401 N/A TYR 257.A N SER 228.A O no hydrogen 3.079 N/A ASN 258.A N LYS 292.A O no hydrogen 3.128 N/A ASN 258.A ND2 HIS 230.A ND1 no hydrogen 2.956 N/A ILE 259.A N ASN 293.A O no hydrogen 3.077 N/A SER 260.A N VAL 231.A O no hydrogen 2.897 N/A ILE 261.A N VAL 295.A O no hydrogen 2.845 N/A ASN 262.A N LEU 233.A O no hydrogen 2.736 N/A GLY 263.A N SER 297.A O no hydrogen 2.867 N/A HIS 264.A N ASN 298.A O no hydrogen 3.284 N/A HIS 264.A NE2 SER 238.A OG no hydrogen 2.982 N/A MET 265.A N ASN 236.A O no hydrogen 3.137 N/A SER 266.A N VAL 300.A O no hydrogen 2.928 N/A SER 266.A OG ASP 269.A OD2 no hydrogen 2.459 N/A SER 266.A OG SER 272.A OG no hydrogen 2.906 N/A VAL 267.A N SER 238.A O no hydrogen 2.813 N/A GLU 268.A N ILE 302.A O no hydrogen 2.821 N/A VAL 270.A N CYS 241.A O no hydrogen 3.050 N/A VAL 270.A N TYR 242.A O no hydrogen 2.851 N/A ARG 271.A N TYR 242.A O no hydrogen 2.882 N/A ARG 271.A NE THR 315.A O no hydrogen 2.871 N/A ARG 271.A NH2 THR 315.A O no hydrogen 3.161 N/A ARG 271.A NH2 THR 315.A OG1 no hydrogen 3.136 N/A SER 272.A N ARG 317.A O no hydrogen 3.148 N/A SER 272.A OG SER 266.A OG no hydrogen 2.906 N/A SER 272.A OG SER 301.A OG no hydrogen 2.678 N/A TYR 273.A N VAL 318.A O no hydrogen 3.289 N/A TYR 273.A OH VAL 300.A O no hydrogen 2.749 N/A ASN 274.A N ILE 245.A O no hydrogen 3.010 N/A PHE 275.A N ALA 320.A O no hydrogen 2.813 N/A ARG 276.A N ILE 247.A O no hydrogen 3.006 N/A ARG 276.A NE GLU 246.A OE2 no hydrogen 2.837 N/A ARG 276.A NH2 GLU 246.A OE2 no hydrogen 2.760 N/A HIS 277.A N HIS 281.A NE2 no hydrogen 3.088 N/A HIS 277.A ND1 SER 288.A OG no hydrogen 2.716 N/A HIS 277.A NE2 ALA 253.A O no hydrogen 2.826 N/A ILE 278.A N ALA 249.A O no hydrogen 3.112 N/A HIS 280.A N HIS 277.A O no hydrogen 3.043 N/A HIS 280.A ND1 ILE 278.A O no hydrogen 3.167 N/A ALA 285.A N ALA 282.A O no hydrogen 3.104 N/A GLN 287.A NE2 ARG 352.A O no hydrogen 3.030 N/A SER 288.A OG HIS 277.A ND1 no hydrogen 2.716 N/A VAL 289.A N ASP 169.A OD2 no hydrogen 2.912 N/A SER 290.A N SER 288.A OG no hydrogen 3.224 N/A SER 290.A OG ASP 169.A OD1 no hydrogen 2.557 N/A SER 290.A OG SER 288.A OG no hydrogen 3.282 N/A ALA 291.A N SER 288.A OG no hydrogen 2.969 N/A LYS 292.A NZ VAL 289.A O no hydrogen 3.437 N/A ASN 293.A N TYR 325.A O no hydrogen 2.971 N/A ILE 294.A N GLY 326.A O no hydrogen 2.982 N/A VAL 295.A N ILE 259.A O no hydrogen 3.065 N/A ALA 296.A N VAL 328.A O no hydrogen 2.853 N/A SER 297.A N ILE 261.A O no hydrogen 2.878 N/A ASN 298.A N ASN 330.A O no hydrogen 3.014 N/A LEU 299.A N GLY 331.A O no hydrogen 2.878 N/A VAL 300.A N HIS 264.A O no hydrogen 2.892 N/A SER 301.A N THR 333.A O no hydrogen 2.912 N/A SER 301.A OG SER 272.A OG no hydrogen 2.678 N/A ILE 302.A N SER 266.A O no hydrogen 2.931 N/A ARG 303.A N TYR 335.A O no hydrogen 2.825 N/A ARG 303.A NE GLU 268.A OE2 no hydrogen 2.902 N/A ARG 303.A NH1 ASP 337.A OD1 no hydrogen 2.680 N/A ARG 303.A NH2 GLU 268.A OE2 no hydrogen 3.231 N/A ASN 305.A N ASP 269.A O no hydrogen 3.053 N/A ASN 305.A ND2 ARG 303.A O no hydrogen 2.963 N/A ASN 306.A ND2 PHE 310.A O no hydrogen 2.988 N/A ASN 306.A ND2 ALA 314.A O no hydrogen 2.780 N/A LYS 307.A N ASN 305.A OD1 no hydrogen 2.998 N/A ARG 308.A NH1 PRO 213.A O no hydrogen 2.887 N/A ARG 308.A NH2 PRO 213.A O no hydrogen 3.202 N/A ARG 308.A NH2 ARG 214.A O no hydrogen 3.152 N/A GLY 309.A N ASN 306.A O no hydrogen 3.165 N/A PHE 310.A N ASN 306.A OD1 no hydrogen 2.763 N/A GLN 311.A N THR 216.A O no hydrogen 2.958 N/A ALA 314.A N PHE 310.A O no hydrogen 3.242 N/A ALA 314.A N GLN 311.A O no hydrogen 3.245 N/A THR 315.A OG1 GLU 344.A OE1 no hydrogen 2.638 N/A ARG 317.A N VAL 270.A O no hydrogen 2.844 N/A ARG 317.A NE SER 348.A OG no hydrogen 3.035 N/A ARG 317.A NH1 PRO 316.A O no hydrogen 3.013 N/A ARG 317.A NH1 GLU 344.A OE1 no hydrogen 2.945 N/A ARG 317.A NH2 GLU 344.A OE1 no hydrogen 2.754 N/A VAL 318.A N VAL 346.A O no hydrogen 2.816 N/A LEU 319.A N VAL 346.A O no hydrogen 3.350 N/A ALA 320.A N TYR 273.A O no hydrogen 2.862 N/A VAL 321.A N SER 348.A O no hydrogen 2.865 N/A SER 322.A N PHE 275.A O no hydrogen 2.793 N/A SER 322.A OG PHE 275.A O no hydrogen 3.419 N/A SER 322.A OG HIS 281.A NE2 no hydrogen 2.947 N/A ALA 323.A N PHE 351.A O no hydrogen 2.840 N/A TYR 324.A N SER 322.A O no hydrogen 2.757 N/A TYR 324.A OH ALA 256.A O no hydrogen 2.604 N/A TYR 325.A N ALA 291.A O no hydrogen 2.855 N/A GLY 326.A N ARG 354.A O no hydrogen 3.212 N/A VAL 328.A N ILE 294.A O no hydrogen 2.809 N/A ILE 329.A N SER 357.A O no hydrogen 2.827 N/A ASN 330.A N ALA 296.A O no hydrogen 2.953 N/A GLY 331.A N ASN 359.A O no hydrogen 2.906 N/A LEU 332.A N GLY 360.A O no hydrogen 2.882 N/A THR 333.A N LEU 299.A O no hydrogen 2.934 N/A GLY 334.A N VAL 362.A O no hydrogen 2.875 N/A TYR 335.A N SER 301.A O no hydrogen 2.836 N/A THR 336.A N THR 364.A O no hydrogen 3.029 N/A THR 336.A OG1 ASP 338.A O no hydrogen 3.497 N/A ASP 338.A N THR 336.A OG1 no hydrogen 3.343 N/A ASN 340.A N ASP 338.A OD1 no hydrogen 3.076 N/A LEU 341.A N ASP 338.A O no hydrogen 3.315 N/A VAL 346.A N ASN 371.A O no hydrogen 3.010 N/A VAL 347.A N GLY 372.A O no hydrogen 2.829 N/A SER 348.A N LEU 319.A O no hydrogen 2.909 N/A VAL 349.A N TYR 374.A O no hydrogen 2.990 N/A GLN 350.A N VAL 321.A O no hydrogen 3.040 N/A GLN 350.A NE2 TYR 374.A O no hydrogen 3.480 N/A ARG 352.A NE ALA 282.A O no hydrogen 2.989 N/A ARG 352.A NH1 GLN 287.A OE1 no hydrogen 2.795 N/A ARG 352.A NH2 ALA 283.A O no hydrogen 3.210 N/A ALA 353.A N GLN 350.A O no hydrogen 3.090 N/A ARG 354.A N TYR 324.A O no hydrogen 2.942 N/A ARG 354.A NH2 GLY 381.A O no hydrogen 2.986 N/A ASN 355.A N ASP 383.A OD1 no hydrogen 2.873 N/A CYS 356.A N ALA 384.A O no hydrogen 3.349 N/A CYS 356.A SG ARG 354.A O no hydrogen 3.554 N/A SER 357.A N VAL 327.A O no hydrogen 2.862 N/A LEU 358.A N ASN 386.A O no hydrogen 2.833 N/A ASN 359.A N ILE 329.A O no hydrogen 2.906 N/A ASN 359.A ND2 SER 388.A OG no hydrogen 2.497 N/A GLY 360.A N SER 388.A O no hydrogen 3.137 N/A VAL 361.A N ASN 389.A O no hydrogen 3.041 N/A VAL 362.A N LEU 332.A O no hydrogen 2.898 N/A LEU 363.A N THR 391.A O no hydrogen 3.037 N/A THR 364.A N GLY 334.A O no hydrogen 2.917 N/A GLY 365.A N ASN 393.A O no hydrogen 2.988 N/A PHE 366.A N SER 395.A OG no hydrogen 3.115 N/A SER 367.A N GLY 365.A O no hydrogen 2.823 N/A ASN 368.A ND2 ASN 340.A OD1 no hydrogen 3.193 N/A SER 369.A N PHE 366.A O no hydrogen 3.279 N/A SER 369.A OG PHE 366.A O no hydrogen 2.797 N/A GLU 370.A N THR 343.A O no hydrogen 3.173 N/A ASN 371.A N GLU 344.A O no hydrogen 3.063 N/A ASN 371.A ND2 THR 345.A OG1 no hydrogen 3.081 N/A GLY 372.A N TYR 398.A O no hydrogen 2.791 N/A ILE 373.A N GLY 399.A O no hydrogen 2.835 N/A TYR 374.A N VAL 347.A O no hydrogen 2.824 N/A VAL 375.A N SER 401.A O no hydrogen 2.929 N/A ILE 376.A N VAL 349.A O no hydrogen 2.881 N/A GLY 377.A N SER 404.A O no hydrogen 2.993 N/A SER 379.A N GLY 405.A O no hydrogen 2.503 N/A ARG 380.A NE ASP 383.A OD2 no hydrogen 3.135 N/A ARG 380.A NH2 ASP 383.A OD2 no hydrogen 2.663 N/A ALA 384.A N ASP 383.A OD1 no hydrogen 2.733 N/A VAL 385.A N ASN 408.A O no hydrogen 3.078 N/A ASN 386.A N CYS 356.A O no hydrogen 3.095 N/A ILE 387.A N SER 410.A O no hydrogen 2.829 N/A SER 388.A N LEU 358.A O no hydrogen 2.921 N/A ASN 389.A N THR 412.A O no hydrogen 2.965 N/A VAL 390.A N ASN 413.A O no hydrogen 3.012 N/A THR 391.A N VAL 361.A O no hydrogen 2.821 N/A THR 391.A OG1 SER 415.A OG no hydrogen 3.390 N/A LEU 392.A N SER 415.A O no hydrogen 2.815 N/A ASN 393.A N LEU 363.A O no hydrogen 2.816 N/A ASN 394.A N ILE 417.A O no hydrogen 2.795 N/A SER 395.A OG LEU 363.A O no hydrogen 3.042 N/A SER 395.A OG ASN 393.A O no hydrogen 3.113 N/A GLY 396.A N PHE 366.A O no hydrogen 3.267 N/A ARG 397.A N SER 369.A O no hydrogen 2.975 N/A ARG 397.A NE GLU 370.A OE1 no hydrogen 2.763 N/A ARG 397.A NH1 ASN 368.A OD1 no hydrogen 3.010 N/A ARG 397.A NH1 ASN 422.A O no hydrogen 2.997 N/A ARG 397.A NH2 ASN 368.A O no hydrogen 3.278 N/A ARG 397.A NH2 GLU 370.A OE1 no hydrogen 3.449 N/A TYR 398.A N GLU 370.A O no hydrogen 2.848 N/A GLY 399.A N ALA 426.A O no hydrogen 2.976 N/A VAL 400.A N LEU 427.A O no hydrogen 2.777 N/A SER 401.A N ILE 373.A O no hydrogen 2.735 N/A ILE 402.A N SER 429.A O no hydrogen 2.773 N/A GLY 403.A N VAL 375.A O no hydrogen 2.727 N/A SER 410.A N VAL 385.A O no hydrogen 2.969 N/A ILE 411.A N GLU 436.A O no hydrogen 2.785 N/A THR 412.A N ILE 387.A O no hydrogen 2.971 N/A ASN 413.A N SER 438.A O no hydrogen 2.930 N/A ASN 413.A ND2 ASN 389.A OD1 no hydrogen 3.369 N/A ILE 414.A N GLY 439.A O no hydrogen 3.069 N/A SER 415.A N VAL 390.A O no hydrogen 2.852 N/A SER 415.A OG THR 391.A OG1 no hydrogen 3.390 N/A GLY 416.A N SER 441.A O no hydrogen 3.026 N/A ILE 417.A N LEU 392.A O no hydrogen 2.863 N/A GLY 418.A N ILE 443.A O no hydrogen 2.755 N/A GLY 420.A N ASN 394.A OD1 no hydrogen 2.802 N/A ILE 421.A N GLY 418.A O no hydrogen 3.032 N/A ASN 422.A N SER 367.A O no hydrogen 3.088 N/A VAL 425.A N ARG 397.A O no hydrogen 2.771 N/A ALA 426.A N ARG 397.A O no hydrogen 3.178 N/A LEU 427.A N THR 447.A O no hydrogen 3.171 N/A VAL 428.A N VAL 448.A O no hydrogen 2.883 N/A SER 429.A N VAL 400.A O no hydrogen 2.880 N/A THR 430.A N ARG 450.A O no hydrogen 2.886 N/A ILE 431.A N ILE 402.A O no hydrogen 3.010 N/A ASN 432.A ND2.A ASN 434.A OD1 no hydrogen 2.983 N/A GLU 436.A N VAL 409.A O no hydrogen 2.859 N/A ILE 437.A N LEU 462.A O no hydrogen 3.172 N/A SER 438.A N ILE 411.A O no hydrogen 3.108 N/A SER 441.A N ILE 414.A O no hydrogen 2.986 N/A ILE 443.A N GLY 416.A O no hydrogen 3.033 N/A TYR 445.A OH GLY 396.A O no hydrogen 2.685 N/A THR 447.A N VAL 425.A O no hydrogen 3.265 N/A THR 447.A OG1 ASP 455.A OD2 no hydrogen 3.453 N/A VAL 448.A N ASN 457.A OD1 no hydrogen 2.880 N/A ALA 449.A N TYR 456.A O no hydrogen 2.931 N/A ARG 450.A N VAL 428.A O no hydrogen 2.827 N/A ARG 450.A NE ASP 455.A OD1 no hydrogen 2.748 N/A ARG 450.A NH2 ASP 455.A OD1 no hydrogen 3.474 N/A ARG 450.A NH2 ASP 455.A OD2 no hydrogen 3.133 N/A VAL 451.A N THR 454.A O no hydrogen 2.841 N/A ALA 452.A N THR 430.A O no hydrogen 2.856 N/A THR 454.A N VAL 451.A O no hydrogen 2.999 N/A TYR 456.A N ALA 449.A O no hydrogen 2.713 N/A LEU 462.A N ILE 437.A O no hydrogen 2.815 N/A ASN 464.A N GLU 436.A OE2 no hydrogen 2.804 N/A ASN 464.A ND2 ASN 434.A O no hydrogen 2.820 N/A PHE 467.A N GLY 481.A O no hydrogen 3.286 N/A ARG 468.A NH1 SER 474.A OG no hydrogen 3.069 N/A ALA 469.A N ILE 483.A O no hydrogen 3.178 N/A THR 471.A OG1 ALA 469.A O no hydrogen 2.869 N/A SER 474.A OG GLY 475.A O no hydrogen 2.914 N/A GLY 475.A N CYS 490.A O no hydrogen 2.814 N/A HIS 478.A N ALA 492.A O no hydrogen 2.872 N/A GLU 480.A N HIS 478.A ND1 no hydrogen 2.972 N/A PHE 482.A N SER 497.A O no hydrogen 3.350 N/A ILE 483.A N PHE 467.A O no hydrogen 3.117 N/A MET 484.A N VAL 499.A O no hydrogen 2.974 N/A GLY 485.A N ALA 469.A O no hydrogen 3.155 N/A GLY 485.A N SER 470.A OG no hydrogen 2.972 N/A SER 486.A N THR 471.A OG1 no hydrogen 3.137 N/A SER 486.A OG MET 484.A O no hydrogen 3.037 N/A THR 487.A N SER 502.A O no hydrogen 2.955 N/A CYS 490.A SG THR 487.A O no hydrogen 3.652 N/A GLU 491.A N SER 505.A O no hydrogen 3.210 N/A ALA 492.A N LYS 476.A O no hydrogen 2.991 N/A SER 493.A N THR 507.A O no hydrogen 3.011 N/A SER 493.A OG THR 507.A O no hydrogen 3.460 N/A VAL 494.A N SER 497.A OG no hydrogen 3.287 N/A SER 495.A OG GLU 480.A OE1 no hydrogen 2.559 N/A LYS 496.A N GLU 480.A O no hydrogen 2.792 N/A LYS 496.A NZ SER 495.A OG no hydrogen 2.922 N/A LYS 496.A NZ GLU 510.A OE1 no hydrogen 2.856 N/A SER 497.A OG VAL 494.A O no hydrogen 2.732 N/A VAL 499.A N PHE 482.A O no hydrogen 3.111 N/A LEU 500.A N ILE 514.A O no hydrogen 2.776 N/A THR 501.A N MET 484.A O no hydrogen 2.986 N/A SER 502.A N SER 486.A OG no hydrogen 3.183 N/A SER 502.A OG LEU 500.A O no hydrogen 2.712 N/A SER 503.A N SER 517.A O no hydrogen 3.009 N/A SER 504.A N SER 488.A O no hydrogen 3.088 N/A SER 505.A OG SER 503.A O no hydrogen 2.931 N/A LYS 506.A N SER 520.A O no hydrogen 2.945 N/A THR 507.A N GLU 491.A O no hydrogen 2.873 N/A THR 507.A OG1 SER 512.A OG no hydrogen 2.570 N/A SER 508.A N ALA 522.A O no hydrogen 2.893 N/A SER 508.A OG ALA 522.A O no hydrogen 3.545 N/A SER 509.A N THR 507.A OG1 no hydrogen 3.115 N/A SER 512.A N LYS 496.A O no hydrogen 3.012 N/A SER 512.A OG THR 507.A OG1 no hydrogen 2.570 N/A SER 512.A OG SER 509.A O no hydrogen 2.518 N/A LEU 513.A N ASN 527.A O no hydrogen 3.035 N/A ILE 514.A N GLY 498.A O no hydrogen 3.106 N/A ALA 515.A N ILE 529.A O no hydrogen 2.867 N/A GLY 516.A N LEU 500.A O no hydrogen 3.202 N/A GLY 516.A N THR 501.A OG1 no hydrogen 2.962 N/A SER 517.A N SER 502.A OG no hydrogen 3.079 N/A SER 517.A OG ALA 515.A O no hydrogen 2.828 N/A SER 518.A N SER 532.A O no hydrogen 2.892 N/A THR 519.A N SER 503.A O no hydrogen 3.035 N/A SER 520.A N SER 505.A OG no hydrogen 3.151 N/A SER 520.A OG SER 518.A O no hydrogen 2.825 N/A GLU 521.A N ALA 535.A O no hydrogen 2.860 N/A ALA 522.A N LYS 506.A O no hydrogen 2.985 N/A LYS 523.A N ALA 537.A O no hydrogen 2.850 N/A TYR 526.A N GLU 510.A O no hydrogen 3.124 N/A ASN 527.A N ARG 511.A O no hydrogen 3.214 N/A ASN 527.A ND2 SER 509.A OG no hydrogen 2.553 N/A ILE 529.A N LEU 513.A O no hydrogen 2.949 N/A LEU 530.A N LEU 544.A O no hydrogen 2.962 N/A GLY 531.A N ALA 515.A O no hydrogen 3.007 N/A SER 532.A N SER 517.A OG no hydrogen 3.082 N/A SER 532.A OG LEU 530.A O no hydrogen 2.882 N/A LEU 533.A N ALA 547.A O no hydrogen 2.895 N/A GLY 534.A N SER 518.A O no hydrogen 2.898 N/A ALA 535.A N SER 520.A OG no hydrogen 3.083 N/A VAL 536.A N SER 550.A O no hydrogen 2.913 N/A ALA 537.A N GLU 521.A O no hydrogen 2.984 N/A ASP 538.A N ALA 552.A O no hydrogen 3.113 N/A GLN 540.A N GLU 539.A OE2 no hydrogen 2.815 N/A GLN 540.A NE2 ASN 555.A OD1 no hydrogen 2.914 N/A PHE 541.A N THR 525.A O no hydrogen 2.792 N/A ALA 542.A N GLU 539.A O no hydrogen 3.058 N/A ALA 543.A N ASN 557.A O no hydrogen 2.925 N/A LEU 544.A N THR 528.A O no hydrogen 2.954 N/A ILE 545.A N ILE 559.A O no hydrogen 2.970 N/A SER 546.A N LEU 530.A O no hydrogen 3.062 N/A ALA 547.A N SER 532.A OG no hydrogen 3.119 N/A SER 548.A N SER 562.A O no hydrogen 2.881 N/A GLN 549.A N LEU 533.A O no hydrogen 2.771 N/A SER 550.A OG SER 548.A O no hydrogen 2.849 N/A ARG 551.A N ILE 565.A O no hydrogen 2.940 N/A ARG 551.A NH1 ASP 538.A OD2 no hydrogen 2.742 N/A ALA 552.A N VAL 536.A O no hydrogen 2.803 N/A SER 553.A N THR 567.A O no hydrogen 2.852 N/A SER 553.A OG ASP 538.A OD1 no hydrogen 2.594 N/A HIS 556.A N GLN 540.A O no hydrogen 3.040 N/A HIS 556.A ND1 ASN 555.A OD1 no hydrogen 2.814 N/A ASN 557.A N GLY 554.A O no hydrogen 3.332 N/A ASN 557.A ND2 THR 567.A OG1 no hydrogen 2.454 N/A LEU 558.A N LYS 572.A O no hydrogen 2.993 N/A ILE 559.A N ALA 543.A O no hydrogen 2.923 N/A LEU 560.A N ASN 574.A O no hydrogen 3.045 N/A SER 561.A N ILE 545.A O no hydrogen 3.109 N/A SER 562.A N SER 546.A O no hydrogen 3.233 N/A SER 562.A OG LEU 560.A O no hydrogen 2.660 N/A SER 562.A OG GLY 576.A O no hydrogen 3.507 N/A TYR 563.A N GLY 576.A O no hydrogen 3.041 N/A GLY 564.A N SER 548.A O no hydrogen 2.943 N/A ILE 565.A N SER 550.A OG no hydrogen 3.393 N/A THR 567.A N ARG 551.A O no hydrogen 2.916 N/A TYR 571.A N ASN 555.A O no hydrogen 2.749 N/A LYS 572.A NZ SER 570.A O no hydrogen 2.753 N/A LYS 572.A NZ ASP 585.A OD2 no hydrogen 2.916 N/A VAL 573.A N LEU 584.A O no hydrogen 2.917 N/A ASN 574.A N LEU 558.A O no hydrogen 2.791 N/A ASN 574.A ND2 ASN 557.A OD1 no hydrogen 3.163 N/A GLY 575.A N TRP 582.A O no hydrogen 3.263 N/A GLY 576.A N SER 562.A OG no hydrogen 2.894 N/A PHE 577.A N LYS 579.A O no hydrogen 2.975 N/A GLU 578.A N TYR 563.A O no hydrogen 2.850 N/A ASN 581.A N GLY 575.A O no hydrogen 2.859 N/A ASN 581.A ND2 ILE 580.A O no hydrogen 3.054 N/A TRP 582.A N GLY 575.A O no hydrogen 3.119 N/A GLU 583.A N LYS 592.A O no hydrogen 2.886 N/A LEU 584.A N VAL 573.A O no hydrogen 2.855 N/A ASP 585.A N ARG 590.A O no hydrogen 2.779 N/A SER 586.A N TYR 571.A O no hydrogen 2.831 N/A ASN 588.A N ASP 585.A OD2 no hydrogen 3.083 N/A ASN 588.A ND2 ASP 585.A OD1 no hydrogen 2.829 N/A GLY 589.A N ASP 585.A O no hydrogen 2.834 N/A LYS 592.A N GLU 583.A O no hydrogen 2.989 N/A ARG 594.A N ASN 581.A O no hydrogen 2.837 N/A ARG 594.A NE ILE 580.A O no hydrogen 3.024 N/A ARG 594.A NH2 ILE 580.A O no hydrogen 2.864 N/A ASN 601.A ND2 THR 598.A OG1 no hydrogen 3.115 N/A