Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ryy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N ASP 2.A OD1 no hydrogen 3.113 N/A SER 5.A N ASP 2.A O no hydrogen 3.244 N/A VAL 6.A N ASP 2.A O no hydrogen 2.622 N/A GLN 7.A NE2 ASP 11.A OD1 no hydrogen 2.559 N/A GLY 9.A N GLN 7.A OE1 no hydrogen 3.088 N/A ILE 12.A N SER 10.A OG no hydrogen 3.362 N/A TYR 21.A OH ALA 70.A O no hydrogen 2.729 N/A ILE 22.A N ILE 42.A O no hydrogen 2.755 N/A LYS 23.A NZ ALA 64.A O no hydrogen 2.564 N/A ARG 24.A N ILE 40.A O no hydrogen 2.912 N/A ARG 24.A NH1 GLU 140.A OE1 no hydrogen 3.319 N/A ARG 24.A NH2 GLU 140.A OE1 no hydrogen 3.528 N/A ARG 24.A NH2 GLU 140.A OE2 no hydrogen 3.176 N/A VAL 26.A N THR 38.A O no hydrogen 3.053 N/A VAL 28.A N LEU 36.A O no hydrogen 2.854 N/A MET 30.A N VAL 34.A O no hydrogen 2.773 N/A ARG 31.A N ASP 129.A OD2 no hydrogen 2.923 N/A ARG 31.A NE ASP 129.A OD1 no hydrogen 3.251 N/A ARG 31.A NE ASP 129.A OD2 no hydrogen 3.110 N/A ARG 31.A NH2 ASP 129.A OD1 no hydrogen 3.075 N/A GLY 33.A N MET 30.A O no hydrogen 3.164 N/A LYS 35.A N GLN 103.A OE1 no hydrogen 3.020 N/A LEU 36.A N VAL 28.A O no hydrogen 2.709 N/A TYR 37.A N SER 102.A OG no hydrogen 2.869 N/A TYR 37.A OH GLU 25.A OE2 no hydrogen 2.452 N/A THR 38.A N VAL 26.A O no hydrogen 2.889 N/A THR 38.A OG1 LEU 36.A O no hydrogen 3.228 N/A VAL 39.A N PHE 93.A O no hydrogen 2.760 N/A ILE 40.A N ARG 24.A O no hydrogen 2.910 N/A VAL 41.A N ARG 91.A O no hydrogen 2.663 N/A ILE 42.A N ILE 22.A O no hydrogen 2.968 N/A LYS 44.A N ASP 20.A O no hydrogen 2.854 N/A LYS 44.A NZ ARG 19.A O no hydrogen 3.273 N/A ALA 46.A N PRO 43.A O no hydrogen 2.877 N/A ALA 49.A N GLU 140.A O no hydrogen 2.948 N/A ILE 51.A N ARG 144.A O no hydrogen 2.994 N/A LEU 52.A N ILE 90.A O no hydrogen 2.855 N/A LEU 53.A N GLY 146.A O no hydrogen 2.769 N/A THR 54.A N VAL 92.A O no hydrogen 2.901 N/A THR 54.A OG1 THR 148.A O no hydrogen 2.610 N/A ARG 55.A NE GLN 94.A OE1 no hydrogen 2.692 N/A ARG 55.A NH1 GLU 123.A OE1 no hydrogen 2.706 N/A ARG 55.A NH2 GLU 123.A OE1 no hydrogen 3.197 N/A THR 56.A N GLN 94.A O no hydrogen 2.633 N/A THR 56.A OG1 GLU 153.A OE2 no hydrogen 2.888 N/A TYR 58.A N THR 56.A OG1 no hydrogen 2.804 N/A TYR 58.A OH SER 151.A OG no hydrogen 3.328 N/A TYR 58.A OH TYR 199.A OH no hydrogen 3.228 N/A ALA 60.A N ASP 95.A OD1 no hydrogen 2.767 N/A ARG 63.A N ASN 59.A O no hydrogen 2.895 N/A ARG 63.A NE GLU 153.A OE2 no hydrogen 2.671 N/A ARG 63.A NH2 GLU 153.A OE1 no hydrogen 2.814 N/A ARG 63.A NH2 GLU 153.A OE2 no hydrogen 3.430 N/A ALA 64.A N ALA 60.A O no hydrogen 2.990 N/A ASN 65.A N GLY 62.A O no hydrogen 2.956 N/A ARG 66.A N VAL 76.A O no hydrogen 2.899 N/A ARG 66.A NE GLU 75.A O no hydrogen 3.268 N/A ARG 66.A NE LEU 77.A O no hydrogen 3.138 N/A ARG 66.A NH2 ARG 74.A O no hydrogen 3.126 N/A ASN 69.A N ASN 65.A OD1 no hydrogen 2.999 N/A ALA 70.A N VAL 67.A O no hydrogen 3.115 N/A THR 72.A OG1 GLU 75.A OE2 no hydrogen 2.643 N/A MET 73.A N ASP 20.A OD1 no hydrogen 2.787 N/A GLU 75.A N THR 72.A O no hydrogen 3.140 N/A VAL 76.A N THR 72.A O no hydrogen 3.078 N/A LEU 77.A N MET 73.A O no hydrogen 3.067 N/A ASP 81.A N PRO 78.A O no hydrogen 3.077 N/A ASP 82.A N GLN 79.A O no hydrogen 3.067 N/A VAL 83.A N ASP 82.A OD1 no hydrogen 2.715 N/A PHE 84.A N ASP 81.A O no hydrogen 2.910 N/A VAL 85.A N ASP 81.A O no hydrogen 2.987 N/A VAL 85.A N ASP 82.A O no hydrogen 3.276 N/A GLU 86.A N ASP 82.A O no hydrogen 3.110 N/A GLY 87.A N VAL 83.A O no hydrogen 3.099 N/A GLY 88.A N VAL 85.A O no hydrogen 3.217 N/A TYR 89.A N PHE 84.A O no hydrogen 2.964 N/A TYR 89.A OH ASP 349.A OD1 no hydrogen 2.503 N/A ILE 90.A N PRO 50.A O no hydrogen 2.932 N/A ARG 91.A N VAL 41.A O no hydrogen 2.879 N/A ARG 91.A NE ASP 81.A OD2 no hydrogen 2.606 N/A ARG 91.A NH1 LEU 52.A O no hydrogen 3.198 N/A ARG 91.A NH1 THR 54.A OG1 no hydrogen 2.873 N/A ARG 91.A NH2 THR 54.A OG1 no hydrogen 3.251 N/A ARG 91.A NH2 ASP 81.A OD1 no hydrogen 3.243 N/A ARG 91.A NH2 ASP 81.A OD2 no hydrogen 3.439 N/A VAL 92.A N LEU 52.A O no hydrogen 2.860 N/A PHE 93.A N VAL 39.A O no hydrogen 2.937 N/A GLN 94.A N THR 54.A O no hydrogen 2.928 N/A GLN 94.A NE2 THR 38.A OG1 no hydrogen 2.857 N/A GLN 94.A NE2 THR 130.A OG1 no hydrogen 2.883 N/A ASP 95.A N TYR 37.A O no hydrogen 2.818 N/A ILE 96.A N THR 56.A O no hydrogen 3.072 N/A ARG 97.A NE ASP 126.A OD2 no hydrogen 2.931 N/A ARG 97.A NH1 ASP 32.A OD1 no hydrogen 3.427 N/A ARG 97.A NH1 ASP 32.A OD2 no hydrogen 2.888 N/A ARG 97.A NH2 ASP 32.A OD1 no hydrogen 2.934 N/A ARG 97.A NH2 ASP 126.A OD1 no hydrogen 2.882 N/A GLY 98.A N GLN 103.A O no hydrogen 2.869 N/A LYS 99.A N ILE 96.A O no hydrogen 3.024 N/A LYS 99.A NZ GLN 203.A O no hydrogen 2.949 N/A LYS 99.A NZ ALA 206.A O no hydrogen 3.161 N/A LYS 99.A NZ ARG 207.A O no hydrogen 3.000 N/A LYS 99.A NZ GLY 208.A O no hydrogen 3.025 N/A TYR 100.A N ARG 207.A O no hydrogen 2.656 N/A GLY 101.A N ASP 95.A OD2 no hydrogen 3.235 N/A SER 102.A N LYS 99.A O no hydrogen 3.001 N/A SER 102.A OG ASP 95.A O no hydrogen 2.680 N/A GLN 103.A N LYS 35.A O no hydrogen 3.047 N/A THR 109.A OG1 MET 108.A O no hydrogen 2.980 N/A ARG 110.A NH1 THR 121.A OG1 no hydrogen 3.071 N/A ARG 110.A NH2 THR 121.A OG1 no hydrogen 3.417 N/A HIS 113.A N ASP 122.A OD2 no hydrogen 2.945 N/A HIS 113.A ND1 THR 119.A O no hydrogen 3.108 N/A GLY 114.A N ASN 117.A O no hydrogen 2.955 N/A ASN 117.A N GLY 114.A O no hydrogen 3.132 N/A ASN 117.A ND2 PRO 111.A O no hydrogen 3.012 N/A ASN 117.A ND2 THR 121.A O no hydrogen 3.008 N/A THR 119.A N ASN 117.A OD1 no hydrogen 3.236 N/A THR 119.A OG1 ASN 117.A OD1 no hydrogen 2.810 N/A THR 119.A OG1 THR 121.A O no hydrogen 3.013 N/A THR 121.A N THR 119.A OG1 no hydrogen 3.412 N/A ASP 122.A N THR 125.A OG1 no hydrogen 2.989 N/A THR 124.A OG1 MET 159.A O no hydrogen 2.625 N/A THR 125.A N ASP 122.A OD1 no hydrogen 2.886 N/A THR 125.A OG1 ASP 122.A O no hydrogen 3.125 N/A THR 125.A OG1 ASP 122.A OD1 no hydrogen 3.323 N/A ASP 126.A N ASP 122.A O no hydrogen 3.119 N/A ALA 127.A N GLU 123.A O no hydrogen 3.315 N/A TRP 128.A N THR 124.A O no hydrogen 3.072 N/A ASP 129.A N THR 125.A O no hydrogen 2.910 N/A THR 130.A N ASP 126.A O no hydrogen 3.081 N/A THR 130.A OG1 GLN 94.A OE1 no hydrogen 3.008 N/A THR 130.A OG1 ASP 126.A O no hydrogen 2.827 N/A VAL 131.A N ALA 127.A O no hydrogen 2.966 N/A ASP 132.A N TRP 128.A O no hydrogen 3.039 N/A TRP 133.A N ASP 129.A O no hydrogen 2.973 N/A LEU 134.A N THR 130.A O no hydrogen 2.966 N/A VAL 135.A N VAL 131.A O no hydrogen 3.061 N/A HIS 136.A N TRP 133.A O no hydrogen 3.048 N/A GLU 140.A N GLU 140.A OE1 no hydrogen 2.872 N/A SER 141.A N VAL 138.A O no hydrogen 3.063 N/A SER 141.A OG VAL 138.A O no hydrogen 2.950 N/A ASN 142.A N ALA 49.A O no hydrogen 3.222 N/A ASN 142.A ND2 LEU 352.A O no hydrogen 2.863 N/A GLY 143.A N SER 141.A OG no hydrogen 3.356 N/A ARG 144.A N ASN 142.A OD1 no hydrogen 3.128 N/A ARG 144.A NE TYR 351.A O no hydrogen 2.830 N/A ARG 144.A NH2 TYR 351.A O no hydrogen 3.337 N/A VAL 145.A N ALA 167.A O no hydrogen 2.893 N/A GLY 146.A N ILE 51.A O no hydrogen 2.730 N/A MET 147.A N VAL 170.A O no hydrogen 3.023 N/A THR 148.A N LEU 53.A O no hydrogen 3.226 N/A THR 148.A OG1 ALA 172.A O no hydrogen 3.052 N/A SER 150.A OG GLU 174.A O no hydrogen 3.393 N/A SER 150.A OG SER 317.A OG no hydrogen 2.624 N/A SER 151.A N GLU 174.A O no hydrogen 3.172 N/A SER 151.A OG TYR 58.A OH no hydrogen 3.328 N/A SER 151.A OG HIS 316.A NE2 no hydrogen 2.907 N/A GLU 153.A N SER 150.A O no hydrogen 2.857 N/A GLY 154.A N SER 151.A O no hydrogen 3.081 N/A PHE 155.A N SER 151.A O no hydrogen 3.220 N/A THR 156.A OG1 ARG 55.A O no hydrogen 2.887 N/A THR 156.A OG1 GLU 153.A O no hydrogen 2.856 N/A VAL 157.A N GLY 154.A O no hydrogen 3.173 N/A VAL 158.A N GLY 154.A O no hydrogen 3.199 N/A MET 159.A N PHE 155.A O no hydrogen 3.004 N/A ALA 160.A N THR 156.A O no hydrogen 3.040 N/A LEU 161.A N VAL 157.A O no hydrogen 3.029 N/A LEU 161.A N VAL 158.A O no hydrogen 3.008 N/A LEU 162.A N MET 159.A O no hydrogen 3.276 N/A HIS 165.A NE2 ASP 132.A OD1 no hydrogen 3.068 N/A ALA 167.A N HIS 165.A ND1 no hydrogen 3.058 N/A LEU 168.A N HIS 165.A O no hydrogen 2.830 N/A LYS 169.A N VAL 145.A O no hydrogen 3.024 N/A LYS 169.A NZ PRO 166.A O no hydrogen 3.088 N/A ALA 171.A N PRO 275.A O no hydrogen 3.121 N/A ALA 172.A N MET 147.A O no hydrogen 2.776 N/A GLU 174.A N GLY 149.A O no hydrogen 2.923 N/A SER 175.A N GLU 279.A O no hydrogen 2.518 N/A SER 175.A OG ASP 284.A OD2 no hydrogen 3.046 N/A VAL 178.A N ASP 184.A OD2 no hydrogen 2.954 N/A ASP 179.A N ASP 184.A OD2 no hydrogen 3.140 N/A TRP 181.A N ASP 179.A OD1 no hydrogen 3.186 N/A TRP 181.A NE1 PRO 252.A O no hydrogen 2.955 N/A MET 182.A N ASP 179.A OD1 no hydrogen 3.107 N/A GLY 183.A N ASP 179.A O no hydrogen 3.492 N/A ASP 184.A N ASP 179.A O no hydrogen 3.184 N/A PHE 187.A N GLY 180.A O no hydrogen 2.665 N/A HIS 188.A N ALA 191.A O no hydrogen 3.038 N/A HIS 188.A ND1 ASP 517.A OD1 no hydrogen 2.729 N/A TYR 189.A N MET 182.A O no hydrogen 2.830 N/A TYR 189.A OH THR 544.A O no hydrogen 2.910 N/A ALA 191.A N HIS 188.A O no hydrogen 3.015 N/A ARG 193.A N TRP 186.A O no hydrogen 2.802 N/A ARG 193.A NE ASP 185.A O no hydrogen 2.798 N/A ARG 193.A NH1 TYR 570.A OH no hydrogen 3.401 N/A ARG 193.A NH2 GLN 285.A O no hydrogen 2.826 N/A GLN 194.A N LEU 569.A O no hydrogen 2.774 N/A GLN 194.A NE2 PRO 568.A O no hydrogen 2.607 N/A ALA 196.A N ARG 193.A O no hydrogen 3.162 N/A TYR 199.A OH TYR 58.A OH no hydrogen 3.228 N/A PHE 200.A N ALA 196.A O no hydrogen 2.874 N/A VAL 201.A N PHE 197.A O no hydrogen 3.207 N/A SER 202.A N ASP 198.A O no hydrogen 3.048 N/A GLN 203.A N TYR 199.A O no hydrogen 3.020 N/A GLN 203.A NE2 PRO 57.A O no hydrogen 2.752 N/A MET 204.A N PHE 200.A O no hydrogen 2.848 N/A THR 205.A OG1 VAL 201.A O no hydrogen 2.392 N/A THR 205.A OG1 TYR 242.A OH no hydrogen 2.664 N/A ARG 207.A NH1 SER 102.A O no hydrogen 3.087 N/A ARG 207.A NH1 GLY 104.A O no hydrogen 2.894 N/A ARG 215.A NE ASP 220.A OD1 no hydrogen 2.770 N/A ARG 215.A NH1 ASP 198.A OD1 no hydrogen 2.671 N/A ARG 215.A NH1 ASP 198.A OD2 no hydrogen 3.180 N/A ARG 215.A NH1 ILE 213.A O no hydrogen 3.139 N/A ARG 215.A NH2 ASP 198.A OD2 no hydrogen 2.563 N/A ARG 215.A NH2 ASP 220.A OD1 no hydrogen 3.544 N/A ARG 215.A NH2 ASP 220.A OD2 no hydrogen 2.841 N/A ASP 217.A N ASN 223.A OD1 no hydrogen 2.920 N/A ASP 219.A N ASP 217.A OD1 no hydrogen 3.100 N/A ASP 220.A N PHE 431.A O no hydrogen 2.671 N/A TYR 221.A N ASP 219.A OD1 no hydrogen 3.174 N/A TYR 221.A OH PRO 423.A O no hydrogen 2.694 N/A ASN 223.A N ASP 219.A O no hydrogen 3.101 N/A ASN 223.A ND2 ASP 217.A O no hydrogen 2.794 N/A ASN 223.A ND2 ASP 220.A OD1 no hydrogen 3.038 N/A PHE 224.A N ASP 220.A O no hydrogen 2.972 N/A LEU 225.A N TYR 221.A O no hydrogen 3.241 N/A LYS 226.A N THR 222.A O no hydrogen 2.978 N/A ALA 227.A N ASN 223.A O no hydrogen 3.181 N/A GLY 228.A N PHE 224.A O no hydrogen 3.176 N/A SER 229.A OG PHE 582.A O no hydrogen 3.002 N/A SER 229.A OG ALA 584.A O no hydrogen 3.477 N/A GLY 231.A N PHE 582.A O no hydrogen 2.993 N/A SER 232.A N SER 229.A OG no hydrogen 3.235 N/A SER 232.A OG ALA 227.A O no hydrogen 3.048 N/A PHE 233.A N SER 229.A O no hydrogen 3.267 N/A PHE 233.A N ALA 230.A O no hydrogen 3.165 N/A ALA 234.A N ALA 230.A O no hydrogen 3.064 N/A THR 235.A N GLY 231.A O no hydrogen 3.059 N/A THR 235.A OG1 GLY 231.A O no hydrogen 2.906 N/A THR 235.A OG1 ASP 240.A OD2 no hydrogen 2.854 N/A GLN 236.A N SER 232.A O no hydrogen 3.175 N/A ALA 237.A N PHE 233.A O no hydrogen 2.881 N/A ALA 237.A N ALA 234.A O no hydrogen 3.236 N/A GLY 238.A N THR 235.A O no hydrogen 3.100 N/A LEU 239.A N ALA 234.A O no hydrogen 2.754 N/A GLN 241.A NE2 GLY 238.A O no hydrogen 2.856 N/A TYR 242.A N LEU 239.A O no hydrogen 3.035 N/A TYR 242.A OH THR 205.A OG1 no hydrogen 2.664 N/A TRP 245.A N TYR 242.A O no hydrogen 3.050 N/A GLN 246.A N TYR 242.A O no hydrogen 3.167 N/A GLN 246.A NE2 ASP 240.A O no hydrogen 2.745 N/A ARG 247.A N PRO 243.A O no hydrogen 3.215 N/A MET 248.A N PHE 244.A O no hydrogen 3.076 N/A HIS 249.A N TRP 245.A O no hydrogen 2.793 N/A HIS 249.A NE2 ASP 583.A OD1 no hydrogen 2.612 N/A ALA 250.A N GLN 246.A O no hydrogen 3.302 N/A HIS 251.A N MET 248.A O no hydrogen 3.035 N/A HIS 251.A ND1 ASP 255.A OD2 no hydrogen 2.824 N/A TYR 254.A N PHE 527.A O no hydrogen 2.992 N/A TYR 254.A OH ASP 179.A OD2 no hydrogen 2.691 N/A ASP 255.A N ALA 253.A O no hydrogen 2.867 N/A PHE 257.A N ASP 255.A OD1 no hydrogen 3.253 N/A TRP 258.A N ASP 255.A O no hydrogen 3.086 N/A TRP 258.A NE1 HIS 251.A O no hydrogen 2.779 N/A GLN 259.A N ASP 255.A O no hydrogen 2.917 N/A GLN 259.A NE2 TYR 254.A O no hydrogen 2.610 N/A GLY 260.A N ALA 256.A O no hydrogen 3.108 N/A GLN 261.A N TRP 258.A O no hydrogen 3.064 N/A GLN 261.A NE2 PHE 257.A O no hydrogen 2.782 N/A ALA 262.A N GLN 259.A O no hydrogen 3.465 N/A LEU 263.A N VAL 178.A O no hydrogen 3.062 N/A ASP 264.A N ASP 264.A OD1 no hydrogen 2.466 N/A ILE 266.A N ALA 262.A O no hydrogen 3.302 N/A LEU 267.A N LEU 263.A O no hydrogen 3.075 N/A ALA 268.A N ASP 264.A O no hydrogen 3.305 N/A GLN 269.A N LYS 265.A O no hydrogen 3.291 N/A GLN 269.A N ILE 266.A O no hydrogen 3.212 N/A ARG 270.A N ILE 266.A O no hydrogen 3.262 N/A ARG 270.A N LEU 267.A O no hydrogen 3.159 N/A LYS 271.A N LEU 267.A O no hydrogen 3.255 N/A MET 276.A N PRO 306.A O no hydrogen 2.793 N/A LEU 277.A N ALA 171.A O no hydrogen 3.105 N/A TRP 278.A N THR 308.A O no hydrogen 2.836 N/A GLU 279.A N PRO 173.A O no hydrogen 3.126 N/A GLN 280.A N VAL 310.A O no hydrogen 3.229 N/A GLN 280.A NE2 GLY 281.A O no hydrogen 3.634 N/A GLN 280.A NE2 MET 288.A O no hydrogen 2.850 N/A GLY 281.A N ASP 284.A OD2 no hydrogen 3.188 N/A LEU 282.A N GLY 312.A O no hydrogen 2.913 N/A TRP 283.A N TRP 314.A O no hydrogen 3.190 N/A TRP 283.A NE1 PRO 513.A O no hydrogen 3.182 N/A ASP 284.A N GLY 281.A O no hydrogen 3.327 N/A GLN 285.A NE2 TRP 283.A O no hydrogen 3.570 N/A ASP 287.A N ASP 284.A OD1 no hydrogen 3.036 N/A TRP 289.A N GLY 183.A O no hydrogen 3.388 N/A GLY 290.A N ASP 184.A OD1 no hydrogen 2.938 N/A ILE 292.A N GLN 280.A OE1 no hydrogen 2.965 N/A HIS 293.A N TRP 289.A O no hydrogen 3.254 N/A HIS 293.A ND1 TRP 289.A O no hydrogen 3.026 N/A ALA 294.A N GLY 290.A O no hydrogen 3.079 N/A TRP 295.A N ALA 291.A O no hydrogen 2.772 N/A TRP 295.A NE1 ASN 307.A O no hydrogen 2.739 N/A GLN 296.A N ILE 292.A O no hydrogen 2.921 N/A GLN 296.A NE2 GLN 296.A O no hydrogen 3.545 N/A GLN 296.A NE2 ASP 300.A OD1 no hydrogen 3.308 N/A ALA 297.A N HIS 293.A O no hydrogen 3.021 N/A LEU 298.A N ALA 294.A O no hydrogen 3.258 N/A LYS 299.A N TRP 295.A O no hydrogen 3.048 N/A LYS 299.A NZ ASP 363.A OD2 no hydrogen 2.762 N/A LYS 299.A NZ TRP 380.A O no hydrogen 3.259 N/A ASP 300.A N GLN 296.A O no hydrogen 2.827 N/A ALA 301.A N ALA 297.A O no hydrogen 3.052 N/A ASP 302.A N LYS 299.A O no hydrogen 3.277 N/A VAL 303.A N LEU 298.A O no hydrogen 3.006 N/A ASN 307.A ND2 TRP 295.A O no hydrogen 2.992 N/A THR 308.A N MET 276.A O no hydrogen 3.319 N/A THR 308.A OG1 PRO 362.A O no hydrogen 2.757 N/A LEU 309.A N ASP 363.A O no hydrogen 3.153 N/A VAL 310.A N TRP 278.A O no hydrogen 2.738 N/A MET 311.A N ILE 365.A O no hydrogen 3.122 N/A TRP 314.A NE1 THR 335.A OG1 no hydrogen 2.663 N/A ARG 315.A NH1 HIS 316.A O no hydrogen 3.124 N/A HIS 316.A ND1 ASP 284.A OD1 no hydrogen 2.938 N/A HIS 316.A NE2 SER 151.A OG no hydrogen 2.907 N/A SER 317.A OG SER 150.A OG no hydrogen 2.624 N/A GLY 318.A N ARG 315.A O no hydrogen 2.940 N/A ASN 320.A N SER 317.A O no hydrogen 3.099 N/A ASN 320.A ND2 GLU 174.A OE1 no hydrogen 3.244 N/A TYR 321.A N GLY 318.A O no hydrogen 3.246 N/A GLY 323.A N ASP 334.A OD1 no hydrogen 2.723 N/A SER 324.A N ASN 322.A OD1 no hydrogen 3.005 N/A SER 324.A OG ASN 322.A OD1 no hydrogen 3.087 N/A LEU 326.A N LEU 329.A O no hydrogen 3.273 N/A LEU 329.A N LEU 326.A O no hydrogen 3.161 N/A PHE 331.A N SER 324.A O no hydrogen 2.734 N/A GLU 332.A N TYR 367.A OH no hydrogen 3.135 N/A GLY 333.A N PHE 331.A O no hydrogen 2.886 N/A THR 335.A N GLY 323.A O no hydrogen 3.349 N/A THR 335.A OG1 GLY 323.A O no hydrogen 2.676 N/A HIS 337.A N ASP 334.A OD1 no hydrogen 3.110 N/A HIS 337.A ND1 ASP 82.A OD2 no hydrogen 3.153 N/A GLN 338.A N ASP 334.A O no hydrogen 2.988 N/A GLN 338.A NE2 GLU 332.A O no hydrogen 3.074 N/A TYR 339.A N THR 335.A O no hydrogen 3.162 N/A ARG 340.A N ALA 336.A O no hydrogen 2.975 N/A ARG 340.A NE ASP 82.A OD1 no hydrogen 2.884 N/A ARG 340.A NH1 VAL 319.A O no hydrogen 2.814 N/A ARG 340.A NH1 TYR 321.A O no hydrogen 3.093 N/A ARG 340.A NH2 ASP 82.A OD2 no hydrogen 2.698 N/A ARG 341.A N HIS 337.A O no hydrogen 2.893 N/A ARG 341.A NE ASP 342.A OD1 no hydrogen 3.040 N/A ARG 341.A NH2 ASP 342.A OD2 no hydrogen 3.450 N/A ASP 342.A N GLN 338.A O no hydrogen 2.770 N/A VAL 343.A N TYR 339.A O no hydrogen 2.875 N/A PHE 344.A N TYR 339.A O no hydrogen 2.868 N/A ARG 345.A N ARG 340.A O no hydrogen 2.985 N/A ARG 345.A NE ASP 349.A OD1 no hydrogen 3.173 N/A PHE 347.A N VAL 343.A O no hydrogen 3.065 N/A PHE 348.A N PHE 344.A O no hydrogen 3.072 N/A ASP 349.A N ARG 345.A O no hydrogen 2.815 N/A GLU 350.A N PRO 346.A O no hydrogen 3.085 N/A TYR 351.A N PHE 348.A O no hydrogen 3.297 N/A LEU 352.A N PHE 348.A O no hydrogen 2.946 N/A LYS 353.A N ASP 349.A O no hydrogen 2.901 N/A LYS 353.A NZ GLY 87.A O no hydrogen 3.144 N/A SER 356.A N LYS 353.A O no hydrogen 3.107 N/A SER 356.A OG ASP 349.A O no hydrogen 3.519 N/A SER 356.A OG LYS 353.A O no hydrogen 3.209 N/A VAL 359.A N GLU 350.A OE1 no hydrogen 3.038 N/A ALA 364.A N TYR 377.A O no hydrogen 3.230 N/A ILE 365.A N LEU 309.A O no hydrogen 2.919 N/A ILE 366.A N ASP 375.A O no hydrogen 3.011 N/A TYR 367.A N MET 311.A O no hydrogen 2.999 N/A TYR 367.A OH GLN 372.A OE1 no hydrogen 2.676 N/A ASN 368.A N LYS 373.A O no hydrogen 2.803 N/A ASN 368.A ND2 ASP 375.A OD2 no hydrogen 2.826 N/A THR 369.A N ASN 549.A O no hydrogen 2.982 N/A THR 369.A OG1 ASN 549.A O no hydrogen 3.222 N/A THR 369.A OG1 HIS 550.A ND1 no hydrogen 2.795 N/A GLY 370.A N ASN 368.A OD1 no hydrogen 3.139 N/A ASP 371.A N ASN 368.A OD1 no hydrogen 2.788 N/A GLN 372.A N ASN 368.A O no hydrogen 2.880 N/A TRP 374.A NE1 GLN 338.A OE1 no hydrogen 3.021 N/A ASP 375.A N ILE 366.A O no hydrogen 2.796 N/A TYR 377.A N ALA 364.A O no hydrogen 2.928 N/A TYR 377.A OH ASN 549.A OD1 no hydrogen 2.743 N/A TRP 380.A N ASP 363.A OD2 no hydrogen 3.286 N/A TRP 380.A NE1 SER 471.A OG no hydrogen 3.107 N/A CYS 384.A N GLY 390.A O no hydrogen 3.111 N/A CYS 384.A SG SER 386.A O no hydrogen 3.156 N/A SER 386.A OG ASN 387.A OD1 no hydrogen 3.331 N/A CYS 388.A SG PRO 381.A O no hydrogen 3.383 N/A CYS 388.A SG ASN 387.A O no hydrogen 3.636 N/A GLY 390.A N SER 382.A O no hydrogen 3.247 N/A THR 393.A N LEU 608.A O no hydrogen 2.738 N/A LEU 395.A N ILE 606.A O no hydrogen 3.047 N/A LEU 397.A N THR 604.A O no hydrogen 3.065 N/A ALA 398.A N GLY 402.A O no hydrogen 2.782 N/A HIS 401.A ND1 THR 458.A O no hydrogen 3.052 N/A SER 404.A N TYR 396.A O no hydrogen 3.020 N/A GLY 412.A N HIS 598.A O no hydrogen 2.822 N/A ASP 414.A N ILE 596.A O no hydrogen 3.040 N/A SER 415.A OG GLN 594.A O no hydrogen 3.550 N/A SER 415.A OG SER 595.A OG no hydrogen 3.012 N/A TYR 416.A N GLN 594.A O no hydrogen 2.955 N/A TYR 416.A OH SER 564.A OG no hydrogen 2.995 N/A SER 418.A N ALA 592.A O no hydrogen 2.810 N/A SER 418.A OG GLN 575.A OE1 no hydrogen 2.753 N/A ALA 421.A N ASP 419.A OD1 no hydrogen 3.141 N/A HIS 422.A N ASP 419.A O no hydrogen 3.022 N/A HIS 422.A ND1 ASP 419.A OD2 no hydrogen 2.848 N/A PHE 426.A N PHE 567.A O no hydrogen 2.780 N/A SER 428.A OG GLU 449.A OE1 no hydrogen 2.814 N/A ARG 429.A NE ASP 219.A OD2 no hydrogen 2.727 N/A ARG 429.A NH2 ASP 219.A OD2 no hydrogen 3.106 N/A PHE 431.A N ASP 219.A OD1 no hydrogen 2.897 N/A ALA 432.A N GLN 435.A OE1 no hydrogen 2.790 N/A PHE 433.A N ASP 220.A OD2 no hydrogen 2.858 N/A GLN 435.A N ALA 432.A O no hydrogen 3.035 N/A SER 436.A N ALA 434.A O no hydrogen 2.855 N/A SER 436.A OG ALA 434.A O no hydrogen 3.463 N/A ARG 438.A N GLN 435.A O no hydrogen 3.118 N/A ARG 438.A NH1 SER 428.A O no hydrogen 2.898 N/A ARG 438.A NH2 SER 428.A O no hydrogen 3.096 N/A TRP 439.A N GLN 435.A O no hydrogen 3.065 N/A TRP 439.A NE1 GLU 286.A OE2 no hydrogen 2.796 N/A LYS 440.A N SER 436.A O no hydrogen 3.025 N/A TRP 442.A N TRP 439.A O no hydrogen 3.353 N/A VAL 444.A N PRO 441.A O no hydrogen 3.377 N/A GLN 445.A N TRP 442.A O no hydrogen 3.230 N/A GLN 445.A NE2 PRO 441.A O no hydrogen 2.809 N/A GLN 447.A N GLU 511.A O no hydrogen 3.057 N/A GLN 447.A NE2 GLN 445.A O no hydrogen 2.928 N/A ARG 448.A N ASP 446.A OD1 no hydrogen 3.031 N/A ARG 448.A NE ASP 446.A OD2 no hydrogen 2.731 N/A ARG 448.A NH1 GLY 508.A O no hydrogen 2.849 N/A ARG 448.A NH2 ASP 446.A OD2 no hydrogen 2.971 N/A ARG 448.A NH2 GLY 508.A O no hydrogen 3.306 N/A GLU 451.A N GLN 447.A O no hydrogen 3.330 N/A SER 452.A N ARG 448.A O no hydrogen 3.322 N/A SER 452.A OG GLU 449.A O no hydrogen 2.700 N/A ARG 453.A N ALA 450.A O no hydrogen 2.994 N/A ARG 453.A NE ASP 455.A OD1 no hydrogen 2.867 N/A ARG 453.A NH2 ASP 455.A OD1 no hydrogen 3.464 N/A ARG 453.A NH2 ASP 455.A OD2 no hydrogen 2.619 N/A VAL 456.A N ARG 453.A O no hydrogen 3.403 N/A VAL 457.A N ILE 562.A O no hydrogen 2.937 N/A TYR 459.A N VAL 560.A O no hydrogen 2.847 N/A TYR 459.A OH ASP 414.A OD2 no hydrogen 2.647 N/A GLU 460.A N HIS 401.A O no hydrogen 3.183 N/A THR 461.A N ILE 558.A O no hydrogen 3.050 N/A THR 461.A OG1 GLU 462.A O no hydrogen 2.967 N/A LEU 464.A N HIS 556.A O no hydrogen 2.946 N/A VAL 468.A N PHE 552.A O no hydrogen 2.990 N/A ARG 469.A NH1 ASP 371.A OD2 no hydrogen 2.527 N/A VAL 470.A N HIS 550.A O no hydrogen 2.843 N/A SER 471.A N PRO 609.A O no hydrogen 2.845 N/A SER 471.A OG TYR 377.A OH no hydrogen 3.428 N/A SER 471.A OG ASN 549.A OD1 no hydrogen 2.637 N/A GLY 472.A N VAL 548.A O no hydrogen 2.959 N/A VAL 475.A N LEU 607.A O no hydrogen 2.894 N/A ALA 476.A N PHE 543.A O no hydrogen 2.834 N/A ASP 477.A N SER 605.A O no hydrogen 2.906 N/A LEU 478.A N TYR 541.A O no hydrogen 2.908 N/A PHE 479.A N THR 604.A OG1 no hydrogen 2.918 N/A ALA 480.A N LEU 539.A O no hydrogen 3.091 N/A ALA 481.A N SER 595.A O no hydrogen 2.758 N/A THR 482.A OG1 SER 487.A OG no hydrogen 3.172 N/A THR 482.A OG1 GLN 594.A OE1 no hydrogen 2.721 N/A SER 483.A N THR 593.A O no hydrogen 3.244 N/A GLY 484.A N THR 482.A OG1 no hydrogen 3.305 N/A THR 485.A N GLN 575.A O no hydrogen 3.058 N/A SER 487.A N ASP 486.A OD1 no hydrogen 2.714 N/A SER 487.A OG THR 482.A OG1 no hydrogen 3.172 N/A SER 487.A OG ASP 486.A O no hydrogen 2.971 N/A TRP 489.A N PHE 519.A O no hydrogen 2.786 N/A VAL 490.A N GLN 563.A O no hydrogen 2.910 N/A VAL 491.A N ASP 517.A O no hydrogen 2.984 N/A LYS 492.A N GLN 561.A O no hydrogen 2.822 N/A LYS 492.A NZ GLN 447.A OE1 no hydrogen 3.090 N/A LYS 492.A NZ GLN 561.A OE1 no hydrogen 2.734 N/A LYS 492.A NZ GLN 563.A OE1 no hydrogen 2.736 N/A LEU 493.A N SER 515.A O no hydrogen 2.721 N/A ILE 494.A N MET 559.A O no hydrogen 2.602 N/A ASP 495.A N LEU 512.A O no hydrogen 2.563 N/A VAL 496.A N ARG 557.A O no hydrogen 2.851 N/A GLN 497.A N TYR 510.A O no hydrogen 2.918 N/A GLN 497.A NE2 ASP 495.A O no hydrogen 3.138 N/A GLN 497.A NE2 ASP 495.A OD2 no hydrogen 3.014 N/A THR 501.A OG1 THR 501.A O no hydrogen 2.707 N/A THR 501.A OG1 ASP 504.A O no hydrogen 2.741 N/A ASP 504.A N THR 501.A O no hydrogen 3.045 N/A LYS 506.A NZ ASP 504.A OD1 no hydrogen 3.077 N/A LYS 506.A NZ ASP 504.A OD2 no hydrogen 3.359 N/A MET 507.A N ASP 504.A O no hydrogen 3.049 N/A GLY 508.A N PRO 505.A O no hydrogen 3.248 N/A GLY 509.A N PRO 498.A O no hydrogen 2.922 N/A TYR 510.A N MET 507.A O no hydrogen 3.126 N/A TYR 510.A OH VAL 444.A O no hydrogen 2.597 N/A GLU 511.A N ASP 446.A OD1 no hydrogen 2.924 N/A LEU 512.A N ASP 495.A O no hydrogen 3.206 N/A VAL 514.A N LEU 493.A O no hydrogen 3.019 N/A SER 515.A N LEU 493.A O no hydrogen 3.442 N/A SER 515.A OG PRO 546.A O no hydrogen 2.864 N/A ASP 517.A N VAL 491.A O no hydrogen 3.193 N/A ILE 518.A N ASP 517.A OD1 no hydrogen 2.880 N/A PHE 519.A N TRP 489.A O no hydrogen 2.812 N/A ARG 520.A N TYR 189.A O no hydrogen 3.272 N/A ARG 520.A NE ASP 488.A OD1 no hydrogen 2.980 N/A ARG 520.A NH1 GLY 190.A O no hydrogen 3.428 N/A ARG 520.A NH1 ASP 571.A OD1 no hydrogen 2.986 N/A ARG 520.A NH2 ASP 488.A OD2 no hydrogen 3.007 N/A ARG 520.A NH2 ASP 571.A O no hydrogen 2.732 N/A ARG 520.A NH2 ASP 571.A OD1 no hydrogen 2.927 N/A GLY 521.A N SER 487.A O no hydrogen 2.752 N/A ARG 522.A NH1 ASP 486.A OD2 no hydrogen 2.948 N/A ARG 522.A NH1 VAL 578.A O no hydrogen 3.029 N/A ARG 522.A NH2 VAL 578.A O no hydrogen 2.846 N/A TYR 523.A N ARG 520.A O no hydrogen 3.123 N/A ARG 524.A N GLY 521.A O no hydrogen 3.174 N/A ARG 524.A NH1 HIS 540.A O no hydrogen 3.067 N/A ALA 528.A N ASP 526.A OD1 no hydrogen 2.847 N/A GLU 531.A N ARG 522.A O no hydrogen 3.003 N/A LEU 533.A N THR 485.A O no hydrogen 2.826 N/A ASP 536.A N THR 482.A O no hydrogen 2.613 N/A ALA 537.A N GLN 534.A O no hydrogen 3.371 N/A LEU 539.A N ALA 480.A O no hydrogen 2.921 N/A HIS 540.A NE2 ASP 477.A OD1 no hydrogen 2.850 N/A TYR 541.A N LEU 478.A O no hydrogen 2.679 N/A HIS 542.A ND1 ASP 477.A OD1 no hydrogen 2.809 N/A HIS 542.A NE2 GLU 385.A OE1 no hydrogen 2.649 N/A PHE 543.A N ALA 476.A O no hydrogen 3.289 N/A LEU 545.A N PRO 474.A O no hydrogen 2.829 N/A VAL 548.A N GLY 472.A O no hydrogen 2.866 N/A ASN 549.A ND2 TYR 367.A O no hydrogen 3.175 N/A ASN 549.A ND2 ASP 375.A OD2 no hydrogen 3.166 N/A HIS 550.A N VAL 470.A O no hydrogen 2.974 N/A HIS 550.A ND1 THR 369.A OG1 no hydrogen 2.795 N/A HIS 550.A NE2 ASP 495.A OD2 no hydrogen 2.662 N/A PHE 552.A N VAL 468.A O no hydrogen 2.819 N/A GLY 555.A N LEU 464.A O no hydrogen 3.110 N/A HIS 556.A N ALA 553.A O no hydrogen 3.218 N/A HIS 556.A ND1 ASP 495.A OD1 no hydrogen 2.870 N/A ARG 557.A N VAL 496.A O no hydrogen 3.064 N/A ARG 557.A NH1 THR 461.A O no hydrogen 2.852 N/A ILE 558.A N THR 461.A OG1 no hydrogen 3.201 N/A MET 559.A N ILE 494.A O no hydrogen 2.721 N/A VAL 560.A N TYR 459.A O no hydrogen 2.853 N/A GLN 561.A N LYS 492.A O no hydrogen 3.029 N/A GLN 561.A NE2 GLN 447.A O no hydrogen 3.182 N/A ILE 562.A N VAL 457.A O no hydrogen 2.982 N/A GLN 563.A N VAL 490.A O no hydrogen 3.106 N/A GLN 563.A NE2 SER 565.A O no hydrogen 2.979 N/A SER 564.A OG TYR 416.A OH no hydrogen 2.995 N/A SER 564.A OG ASP 488.A O no hydrogen 2.875 N/A PHE 567.A N VAL 424.A O no hydrogen 2.925 N/A TYR 570.A N TRP 566.A O no hydrogen 2.823 N/A ASP 571.A N PHE 192.A O no hydrogen 3.156 N/A ARG 572.A NH1 PRO 420.A O no hydrogen 2.644 N/A ARG 572.A NH2 GLY 228.A O no hydrogen 2.904 N/A ASN 573.A ND2 ASP 486.A OD1 no hydrogen 3.078 N/A ASN 573.A ND2 ASP 488.A OD1 no hydrogen 2.986 N/A GLN 575.A N ASN 573.A OD1 no hydrogen 2.918 N/A GLN 575.A NE2 SER 418.A O no hydrogen 2.997 N/A GLN 575.A NE2 THR 590.A O no hydrogen 2.716 N/A LYS 576.A NZ ASP 588.A OD1 no hydrogen 3.111 N/A PHE 577.A N THR 485.A OG1 no hydrogen 3.001 N/A ASN 580.A ND2 HIS 249.A O no hydrogen 3.085 N/A PHE 582.A N ASN 580.A OD1 no hydrogen 3.213 N/A ASP 583.A N ASN 580.A O no hydrogen 3.247 N/A ALA 584.A N ILE 581.A O no hydrogen 3.366 N/A LYS 585.A N ASP 588.A OD2 no hydrogen 2.902 N/A ASP 588.A N LYS 585.A O no hydrogen 2.901 N/A THR 590.A N PRO 574.A O no hydrogen 2.788 N/A THR 590.A OG1 PRO 574.A O no hydrogen 3.503 N/A THR 590.A OG1 ASP 588.A O no hydrogen 2.888 N/A ALA 592.A N SER 418.A O no hydrogen 3.050 N/A THR 593.A N SER 483.A OG no hydrogen 2.672 N/A GLN 594.A N TYR 416.A O no hydrogen 2.802 N/A GLN 594.A NE2 SER 487.A OG no hydrogen 2.706 N/A GLN 594.A NE2 SER 564.A OG no hydrogen 2.914 N/A SER 595.A N ALA 481.A O no hydrogen 2.815 N/A SER 595.A OG SER 415.A OG no hydrogen 3.012 N/A ILE 596.A N ASP 414.A O no hydrogen 2.911 N/A HIS 597.A N PHE 479.A O no hydrogen 3.060 N/A HIS 597.A NE2 ASP 411.A OD1 no hydrogen 2.633 N/A HIS 598.A N GLY 412.A O no hydrogen 2.676 N/A GLY 600.A N PRO 408.A O no hydrogen 3.296 N/A THR 604.A OG1 HIS 597.A O no hydrogen 2.711 N/A SER 605.A N ASP 477.A O no hydrogen 2.940 N/A ILE 606.A N LEU 395.A O no hydrogen 3.269 N/A LEU 607.A N VAL 475.A O no hydrogen 2.648 N/A LEU 608.A N THR 393.A O no hydrogen 2.800 N/A VAL 611.A N ARG 469.A O no hydrogen 2.991 N/A