Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ll1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N LEU 2.A O no hydrogen 2.805 N/A LYS 5.A NZ ASP 92.A O no hydrogen 3.058 N/A GLN 6.A N LEU 2.A O no hydrogen 3.374 N/A GLN 6.A NE2 GLN 6.A O no hydrogen 3.016 N/A GLN 6.A NE2 TYR 97.A O no hydrogen 3.139 N/A ILE 7.A N HIS 3.A O no hydrogen 3.078 N/A ARG 8.A N ASP 4.A O no hydrogen 3.221 N/A ARG 8.A NH1 ASN 61.A OD1 no hydrogen 2.850 N/A VAL 9.A N LYS 5.A O no hydrogen 3.159 N/A CYS 10.A N GLN 6.A O no hydrogen 3.043 N/A CYS 10.A SG GLN 6.A O no hydrogen 3.345 N/A HIS 11.A N ILE 7.A O no hydrogen 3.155 N/A LEU 12.A N VAL 9.A O no hydrogen 3.007 N/A PHE 13.A N CYS 10.A O no hydrogen 3.200 N/A GLU 14.A N HIS 11.A O no hydrogen 3.162 N/A GLN 15.A N HIS 395.A O no hydrogen 2.900 N/A SER 18.A N GLN 15.A O no hydrogen 3.352 N/A ARG 23.A NH1 ASP 62.A OD2 no hydrogen 2.930 N/A ARG 23.A NH2 ASP 62.A OD2 no hydrogen 2.884 N/A LEU 24.A N VAL 21.A O no hydrogen 3.313 N/A GLY 28.A N GLU 46.A OE2 no hydrogen 2.994 N/A LYS 29.A N GLU 46.A OE2 no hydrogen 3.110 N/A LEU 30.A N GLU 46.A OE1 no hydrogen 3.020 N/A LEU 30.A N GLU 46.A OE2 no hydrogen 3.514 N/A GLY 33.A N GLU 76.A OE2 no hydrogen 3.061 N/A ILE 35.A N GLU 320.A OE1 no hydrogen 2.881 N/A SER 37.A N HIS 43.A ND1 no hydrogen 2.925 N/A SER 37.A OG SER 325.A O no hydrogen 3.522 N/A CYS 38.A N SER 325.A O no hydrogen 2.981 N/A CYS 38.A SG ASP 326.A OD1 no hydrogen 3.872 N/A CYS 38.A SG THR 327.A OG1 no hydrogen 3.644 N/A PHE 39.A N SER 37.A OG no hydrogen 3.420 N/A HIS 40.A N SER 37.A OG no hydrogen 3.181 N/A HIS 40.A NE2 ASP 239.A OD2 no hydrogen 3.184 N/A ASP 42.A N HIS 40.A ND1 no hydrogen 3.028 N/A HIS 43.A N HIS 40.A O no hydrogen 3.022 N/A LEU 44.A N HIS 40.A O no hydrogen 3.128 N/A GLU 45.A N PRO 41.A O no hydrogen 2.977 N/A ALA 47.A N HIS 43.A O no hydrogen 2.981 N/A ARG 48.A N LEU 44.A O no hydrogen 2.847 N/A ARG 48.A NE GLU 52.A OE2 no hydrogen 3.546 N/A ARG 48.A NH1 GLU 45.A OE2 no hydrogen 2.900 N/A ARG 48.A NH2 GLU 45.A OE2 no hydrogen 3.193 N/A HIS 49.A N GLU 45.A O no hydrogen 3.080 N/A LEU 50.A N GLU 46.A O no hydrogen 3.066 N/A TYR 51.A N ALA 47.A O no hydrogen 3.060 N/A TYR 51.A OH THR 159.A OG1 no hydrogen 2.874 N/A GLU 52.A N ARG 48.A O no hydrogen 2.896 N/A GLU 52.A N HIS 49.A O no hydrogen 3.184 N/A VAL 53.A N HIS 49.A O no hydrogen 2.984 N/A PHE 54.A N LEU 50.A O no hydrogen 3.007 N/A TRP 55.A N TYR 51.A O no hydrogen 2.896 N/A GLU 56.A N GLU 52.A O no hydrogen 2.922 N/A ALA 57.A N PHE 54.A O no hydrogen 3.413 N/A GLY 58.A N ASP 62.A OD2 no hydrogen 3.180 N/A ASN 61.A N ASP 59.A OD2 no hydrogen 3.204 N/A ASN 61.A ND2 ASP 59.A OD2 no hydrogen 3.170 N/A PHE 63.A N ASP 59.A O no hydrogen 2.793 N/A ILE 64.A N PHE 60.A O no hydrogen 2.966 N/A GLU 65.A N ASN 61.A O no hydrogen 3.143 N/A ILE 66.A N ASP 62.A O no hydrogen 3.020 N/A ALA 67.A N PHE 63.A O no hydrogen 3.025 N/A LYS 68.A N ILE 64.A O no hydrogen 2.944 N/A GLU 69.A N GLU 65.A O no hydrogen 3.252 N/A ALA 70.A N ILE 66.A O no hydrogen 2.975 N/A ARG 71.A N ALA 67.A O no hydrogen 3.051 N/A ARG 71.A NH1 HIS 11.A O no hydrogen 2.778 N/A ARG 71.A NH2 GLU 14.A O no hydrogen 2.688 N/A THR 72.A N GLU 69.A O no hydrogen 3.297 N/A THR 72.A OG1 GLU 69.A O no hydrogen 2.749 N/A PHE 73.A N ALA 70.A O no hydrogen 3.254 N/A VAL 74.A N ALA 70.A O no hydrogen 2.963 N/A ASN 75.A ND2 GLN 31.A O no hydrogen 3.261 N/A ASN 75.A ND2 ALA 34.A O no hydrogen 2.869 N/A GLY 77.A N ASN 75.A OD1 no hydrogen 2.960 N/A LEU 78.A N ASN 75.A OD1 no hydrogen 3.147 N/A PHE 79.A N ASN 75.A O no hydrogen 2.985 N/A ALA 80.A N GLU 76.A O no hydrogen 3.104 N/A PHE 81.A N GLY 77.A O no hydrogen 3.086 N/A ALA 82.A N LEU 78.A O no hydrogen 2.952 N/A ALA 83.A N PHE 79.A O no hydrogen 2.761 N/A GLU 84.A N ALA 80.A O no hydrogen 3.016 N/A VAL 85.A N PHE 81.A O no hydrogen 3.238 N/A ALA 86.A N ALA 82.A O no hydrogen 3.269 N/A VAL 87.A N ALA 83.A O no hydrogen 3.022 N/A LEU 88.A N GLU 84.A O no hydrogen 3.106 N/A HIS 89.A N VAL 85.A O no hydrogen 3.205 N/A HIS 89.A N ALA 86.A O no hydrogen 3.283 N/A HIS 89.A ND1 VAL 85.A O no hydrogen 2.699 N/A ARG 90.A N ALA 86.A O no hydrogen 2.894 N/A ARG 90.A NE ASP 92.A OD1 no hydrogen 3.108 N/A ARG 90.A NH1 ALA 57.A O no hydrogen 3.107 N/A ARG 90.A NH2 ALA 57.A O no hydrogen 3.005 N/A CYS 93.A N ARG 90.A O no hydrogen 3.357 N/A CYS 93.A SG ASP 92.A OD1 no hydrogen 3.253 N/A LYS 94.A N ASP 91.A O no hydrogen 3.138 N/A LYS 94.A NZ TYR 500.A OH no hydrogen 3.383 N/A LEU 96.A N CYS 93.A O no hydrogen 2.837 N/A TYR 97.A N GLN 6.A OE1 no hydrogen 2.780 N/A GLN 102.A N GLN 102.A OE1 no hydrogen 2.813 N/A GLU 103.A N PRO 100.A O no hydrogen 3.002 N/A ILE 104.A N PRO 100.A O no hydrogen 3.143 N/A ILE 104.A N VAL 101.A O no hydrogen 3.175 N/A PHE 105.A N VAL 101.A O no hydrogen 2.897 N/A LYS 108.A N PHE 105.A O no hydrogen 3.004 N/A LYS 108.A NZ ASP 326.A OD2 no hydrogen 2.884 N/A PHE 109.A N PRO 106.A O no hydrogen 3.226 N/A ILE 110.A N PRO 106.A O no hydrogen 2.874 N/A SER 112.A N HIS 215.A O no hydrogen 2.819 N/A ILE 115.A N PRO 111.A O no hydrogen 3.075 N/A ASN 116.A N SER 112.A O no hydrogen 2.970 N/A GLU 117.A N ALA 113.A O no hydrogen 2.885 N/A ALA 118.A N ALA 114.A O no hydrogen 2.977 N/A PHE 119.A N ASN 116.A O no hydrogen 3.086 N/A LYS 120.A N ALA 118.A O no hydrogen 3.070 N/A ILE 122.A N SER 404.A O no hydrogen 2.891 N/A VAL 124.A N LYS 406.A O no hydrogen 2.874 N/A VAL 126.A N ARG 408.A O no hydrogen 2.768 N/A TYR 134.A N ASP 131.A O no hydrogen 2.976 N/A ARG 135.A N PRO 132.A O no hydrogen 3.059 N/A LEU 136.A N GLU 133.A O no hydrogen 3.249 N/A ALA 137.A N TYR 134.A O no hydrogen 3.009 N/A TYR 138.A OH GLU 190.A OE1 no hydrogen 2.543 N/A TYR 139.A N LEU 136.A O no hydrogen 3.146 N/A TYR 139.A OH MET 183.A O no hydrogen 2.958 N/A ARG 140.A N LEU 136.A O no hydrogen 3.111 N/A ARG 140.A NH1 GLU 141.A OE2 no hydrogen 3.443 N/A ARG 140.A NH1 ARG 332.A O no hydrogen 2.650 N/A ARG 140.A NH2 GLU 133.A O no hydrogen 2.979 N/A GLU 141.A N ALA 137.A O no hydrogen 2.852 N/A ASP 142.A N TYR 139.A O no hydrogen 3.232 N/A ILE 145.A N ASP 142.A OD2 no hydrogen 2.998 N/A ASN 146.A N ASP 142.A O no hydrogen 3.205 N/A ASN 146.A ND2 ARG 140.A O no hydrogen 3.072 N/A ASN 146.A ND2 ASP 142.A O no hydrogen 2.832 N/A ALA 147.A N VAL 143.A O no hydrogen 3.011 N/A HIS 148.A N GLY 144.A O no hydrogen 2.862 N/A HIS 149.A N ILE 145.A O no hydrogen 3.130 N/A TRP 150.A N ASN 146.A O no hydrogen 3.221 N/A TRP 150.A NE1 GLU 84.A OE1 no hydrogen 2.883 N/A HIS 151.A N ALA 147.A O no hydrogen 3.078 N/A HIS 151.A ND1 GLU 84.A OE2 no hydrogen 2.778 N/A TRP 152.A N HIS 148.A O no hydrogen 2.775 N/A TRP 152.A NE1 TYR 544.A O no hydrogen 2.914 N/A HIS 153.A N HIS 149.A O no hydrogen 3.337 N/A HIS 153.A NE2 HIS 149.A NE2 no hydrogen 2.899 N/A LEU 154.A N HIS 151.A O no hydrogen 2.979 N/A VAL 155.A N HIS 151.A O no hydrogen 3.042 N/A VAL 155.A N TRP 152.A O no hydrogen 3.169 N/A TYR 156.A N TRP 152.A O no hydrogen 2.936 N/A TYR 156.A OH CYS 545.A O no hydrogen 2.628 N/A THR 159.A OG1 TYR 51.A OH no hydrogen 2.874 N/A TRP 160.A N PRO 157.A O no hydrogen 3.280 N/A TRP 160.A NE1 LYS 167.A O no hydrogen 3.129 N/A LYS 163.A NZ ASN 161.A OD1 no hydrogen 3.199 N/A TYR 164.A N ASN 161.A O no hydrogen 3.174 N/A TYR 164.A OH GLU 56.A OE2 no hydrogen 2.995 N/A PHE 165.A N ASN 161.A O no hydrogen 3.182 N/A GLY 166.A N PRO 162.A O no hydrogen 2.755 N/A LYS 169.A NZ HIS 89.A NE2 no hydrogen 2.896 N/A LYS 169.A NZ VAL 155.A O no hydrogen 2.903 N/A ARG 171.A NE GLU 174.A OE1 no hydrogen 2.840 N/A ARG 171.A NH1 ASP 554.A O no hydrogen 2.623 N/A ARG 171.A NH2 GLU 174.A OE1 no hydrogen 3.189 N/A ARG 171.A NH2 LYS 556.A O no hydrogen 3.008 N/A LYS 172.A N LYS 169.A O no hydrogen 3.259 N/A LYS 172.A NZ PRO 157.A O no hydrogen 3.413 N/A GLY 173.A N ASP 278.A OD1 no hydrogen 2.840 N/A GLU 174.A N ASP 278.A OD1 no hydrogen 3.318 N/A LEU 175.A N ARG 171.A O no hydrogen 2.854 N/A PHE 176.A N LYS 172.A O no hydrogen 2.904 N/A TYR 177.A N GLY 173.A O no hydrogen 3.333 N/A TYR 178.A N GLU 174.A O no hydrogen 3.046 N/A TYR 178.A OH GLU 461.A OE1 no hydrogen 2.801 N/A MET 179.A N LEU 175.A O no hydrogen 2.840 N/A HIS 180.A N PHE 176.A O no hydrogen 3.262 N/A HIS 180.A ND1 PHE 176.A O no hydrogen 2.695 N/A GLN 181.A N TYR 177.A O no hydrogen 2.811 N/A GLN 182.A N TYR 178.A O no hydrogen 2.840 N/A GLN 182.A NE2 GLN 181.A OE1 no hydrogen 2.919 N/A GLN 182.A NE2 ALA 459.A O no hydrogen 3.074 N/A MET 183.A N MET 179.A O no hydrogen 3.022 N/A CYS 184.A N HIS 180.A O no hydrogen 3.166 N/A CYS 184.A SG HIS 180.A O no hydrogen 3.236 N/A ALA 185.A N GLN 181.A O no hydrogen 2.870 N/A ARG 186.A N GLN 182.A O no hydrogen 2.853 N/A ARG 186.A NE TYR 544.A OH no hydrogen 3.063 N/A ARG 186.A NH1 LEU 510.A O no hydrogen 3.109 N/A ARG 186.A NH2 LEU 510.A O no hydrogen 3.459 N/A TYR 187.A N MET 183.A O no hydrogen 3.137 N/A TYR 187.A OH GLU 133.A OE2 no hydrogen 2.761 N/A ASP 188.A N CYS 184.A O no hydrogen 2.936 N/A CYS 189.A N ALA 185.A O no hydrogen 3.079 N/A CYS 189.A N ARG 186.A O no hydrogen 3.096 N/A CYS 189.A SG ALA 185.A O no hydrogen 3.539 N/A CYS 189.A SG THR 458.A O no hydrogen 3.581 N/A GLU 190.A N ARG 186.A O no hydrogen 3.228 N/A GLU 190.A N TYR 187.A O no hydrogen 2.998 N/A ARG 191.A N TYR 187.A O no hydrogen 2.986 N/A ARG 191.A NE HIS 197.A O no hydrogen 2.627 N/A ARG 191.A NH1 GLU 133.A OE1 no hydrogen 3.061 N/A ARG 191.A NH2 HIS 197.A O no hydrogen 3.463 N/A LEU 192.A N ASP 188.A O no hydrogen 3.054 N/A SER 193.A N CYS 189.A O no hydrogen 2.949 N/A SER 193.A OG CYS 189.A O no hydrogen 2.713 N/A SER 193.A OG TYR 521.A OH no hydrogen 2.925 N/A ASN 194.A N GLU 190.A O no hydrogen 2.978 N/A ASN 194.A ND2 TYR 138.A OH no hydrogen 2.789 N/A ASN 194.A ND2 GLU 190.A O no hydrogen 2.829 N/A GLY 195.A N LEU 192.A O no hydrogen 2.991 N/A MET 196.A N ARG 191.A O no hydrogen 2.800 N/A HIS 197.A ND1 ARG 198.A O no hydrogen 2.815 N/A ARG 198.A NE ASP 188.A OD2 no hydrogen 2.878 N/A ARG 198.A NH2 ASP 188.A OD2 no hydrogen 3.233 N/A MET 199.A N ASP 188.A OD1 no hydrogen 2.961 N/A PHE 202.A N ASN 338.A O no hydrogen 3.023 N/A ASP 206.A N ASN 204.A OD1 no hydrogen 3.022 N/A GLU 207.A N ASN 204.A O no hydrogen 3.118 N/A LEU 209.A N LEU 232.A O no hydrogen 2.827 N/A GLY 211.A N ASP 230.A OD1 no hydrogen 3.084 N/A TYR 212.A N ARG 228.A O no hydrogen 2.742 N/A TYR 212.A OH GLU 141.A OE2 no hydrogen 3.073 N/A THR 217.A OG1 LYS 223.A O no hydrogen 3.286 N/A HIS 218.A N LYS 223.A O no hydrogen 2.932 N/A VAL 219.A N ASP 107.A OD2 no hydrogen 3.354 N/A SER 221.A N HIS 218.A O no hydrogen 3.137 N/A SER 221.A OG GLY 33.A O no hydrogen 2.901 N/A SER 221.A OG HIS 218.A O no hydrogen 3.548 N/A LYS 223.A N SER 221.A OG no hydrogen 3.389 N/A LYS 223.A NZ GLU 320.A OE2 no hydrogen 3.339 N/A TYR 224.A OH GLU 319.A OE1 no hydrogen 2.630 N/A TYR 225.A N LEU 216.A O no hydrogen 3.180 N/A TYR 225.A OH ASP 326.A OD2 no hydrogen 3.017 N/A SER 226.A N PRO 321.A O no hydrogen 3.380 N/A SER 226.A OG HIS 311.A NE2 no hydrogen 3.152 N/A SER 226.A OG GLU 320.A O no hydrogen 2.647 N/A ARG 228.A N TYR 212.A O no hydrogen 2.944 N/A ARG 228.A NE ALA 210.A O no hydrogen 2.838 N/A ARG 228.A NH1 ASP 333.A OD1 no hydrogen 3.380 N/A ARG 228.A NH1 ASP 333.A OD2 no hydrogen 2.804 N/A ARG 228.A NH2 ALA 210.A O no hydrogen 2.703 N/A ARG 228.A NH2 ASP 333.A OD1 no hydrogen 2.940 N/A GLY 231.A N LEU 209.A O no hydrogen 3.233 N/A LYS 233.A NZ ASP 206.A O no hydrogen 2.795 N/A LEU 237.A N ILE 240.A O no hydrogen 2.731 N/A GLU 241.A N GLU 244.A OE1 no hydrogen 3.078 N/A ILE 242.A N ASP 236.A OD1 no hydrogen 2.969 N/A GLU 244.A N GLU 241.A O no hydrogen 3.013 N/A VAL 246.A N ILE 242.A O no hydrogen 2.901 N/A ARG 247.A N SER 243.A O no hydrogen 3.181 N/A MET 248.A N GLU 244.A O no hydrogen 2.973 N/A ARG 249.A N MET 245.A O no hydrogen 3.060 N/A ARG 249.A NE GLU 250.A OE2 no hydrogen 3.258 N/A ARG 249.A NH2 GLU 250.A OE2 no hydrogen 3.299 N/A GLU 250.A N VAL 246.A O no hydrogen 3.061 N/A ARG 251.A N ARG 247.A O no hydrogen 3.080 N/A ARG 251.A NH1 TYR 295.A O no hydrogen 2.842 N/A ILE 252.A N MET 248.A O no hydrogen 3.014 N/A LEU 253.A N ARG 249.A O no hydrogen 2.934 N/A ASP 254.A N GLU 250.A O no hydrogen 3.194 N/A SER 255.A N ARG 251.A O no hydrogen 3.309 N/A SER 255.A OG ARG 251.A O no hydrogen 3.152 N/A SER 255.A OG TYR 296.A OH no hydrogen 2.793 N/A ILE 256.A N ILE 252.A O no hydrogen 3.079 N/A HIS 257.A N LEU 253.A O no hydrogen 3.160 N/A HIS 257.A NE2 GLU 349.A OE2 no hydrogen 3.139 N/A LEU 258.A N SER 255.A O no hydrogen 2.904 N/A GLY 259.A N SER 255.A O no hydrogen 2.804 N/A VAL 261.A N LYS 269.A O no hydrogen 2.769 N/A ILE 262.A N TYR 296.A OH no hydrogen 2.996 N/A SER 263.A N SER 267.A O no hydrogen 2.858 N/A GLU 264.A N VAL 291.A O no hydrogen 3.288 N/A GLY 266.A N SER 263.A O no hydrogen 2.967 N/A SER 267.A OG ASP 265.A OD2 no hydrogen 2.788 N/A LYS 269.A N VAL 261.A O no hydrogen 2.820 N/A LEU 271.A N GLY 259.A O no hydrogen 2.997 N/A HIS 275.A N ASP 272.A OD2 no hydrogen 2.984 N/A GLY 276.A N ASP 272.A O no hydrogen 2.648 N/A ILE 279.A N HIS 275.A O no hydrogen 2.925 N/A LEU 280.A N GLY 276.A O no hydrogen 2.970 N/A GLY 281.A N THR 277.A O no hydrogen 2.842 N/A ALA 282.A N ASP 278.A O no hydrogen 3.068 N/A LEU 283.A N ILE 279.A O no hydrogen 3.239 N/A VAL 284.A N LEU 280.A O no hydrogen 2.733 N/A GLU 285.A N GLY 281.A O no hydrogen 3.155 N/A SER 286.A OG GLY 297.A O no hydrogen 2.656 N/A SER 287.A N ALA 282.A O no hydrogen 2.832 N/A SER 287.A OG ALA 282.A O no hydrogen 3.476 N/A TYR 288.A N SER 158.A O no hydrogen 2.632 N/A SER 290.A N SER 287.A O no hydrogen 3.178 N/A ASN 292.A N SER 290.A OG no hydrogen 3.374 N/A HIS 293.A NE2 TYR 288.A O no hydrogen 3.253 N/A TYR 296.A N ASN 292.A O no hydrogen 3.023 N/A TYR 296.A OH SER 255.A OG no hydrogen 2.793 N/A GLY 297.A N HIS 293.A O no hydrogen 2.768 N/A HIS 300.A N VAL 284.A O no hydrogen 3.174 N/A HIS 300.A ND1 ASN 301.A OD1 no hydrogen 3.132 N/A HIS 300.A NE2 HIS 340.A NE2 no hydrogen 2.772 N/A ASN 301.A ND2 ASN 298.A OD1 no hydrogen 3.043 N/A TRP 302.A N ASN 298.A O no hydrogen 2.937 N/A GLY 303.A N LEU 299.A O no hydrogen 3.152 N/A GLY 303.A N HIS 300.A O no hydrogen 3.102 N/A HIS 304.A N HIS 300.A O no hydrogen 3.449 N/A HIS 304.A ND1 MET 324.A O no hydrogen 2.835 N/A VAL 305.A N ASN 301.A O no hydrogen 3.196 N/A THR 306.A N TRP 302.A O no hydrogen 2.883 N/A THR 306.A OG1 TRP 302.A O no hydrogen 2.907 N/A THR 306.A OG1 GLY 303.A O no hydrogen 3.433 N/A MET 307.A N GLY 303.A O no hydrogen 2.974 N/A ALA 308.A N HIS 304.A O no hydrogen 2.913 N/A ARG 309.A N VAL 305.A O no hydrogen 3.143 N/A ASP 312.A N ARG 309.A O no hydrogen 2.904 N/A GLY 315.A N ASP 312.A O no hydrogen 3.139 N/A ARG 316.A N ASP 314.A OD1 no hydrogen 3.329 N/A ARG 316.A NE ASP 314.A OD1 no hydrogen 2.986 N/A ARG 316.A NH2 ASP 314.A OD2 no hydrogen 3.363 N/A PHE 317.A N ASP 312.A OD1 no hydrogen 3.117 N/A HIS 318.A N GLY 315.A O no hydrogen 3.024 N/A GLU 319.A N ASP 312.A OD2 no hydrogen 3.123 N/A GLY 322.A N ALA 308.A O no hydrogen 2.645 N/A SER 325.A N GLY 322.A O no hydrogen 3.282 N/A SER 325.A OG GLY 322.A O no hydrogen 2.816 N/A SER 328.A N ASP 326.A OD1 no hydrogen 3.038 N/A SER 328.A OG ASP 326.A OD1 no hydrogen 2.780 N/A THR 329.A N ASP 326.A O no hydrogen 3.454 N/A THR 329.A OG1 VAL 323.A O no hydrogen 2.991 N/A SER 330.A N ASP 326.A O no hydrogen 3.008 N/A SER 330.A OG ASP 326.A O no hydrogen 3.168 N/A ARG 332.A N THR 329.A O no hydrogen 3.077 N/A ASP 333.A N SER 330.A O no hydrogen 3.141 N/A ILE 335.A N ASP 333.A OD1 no hydrogen 3.298 N/A PHE 336.A N ASP 333.A O no hydrogen 2.921 N/A TYR 337.A N PRO 334.A O no hydrogen 3.157 N/A TYR 337.A OH LEU 331.A O no hydrogen 2.804 N/A ASN 338.A ND2 LEU 200.A O no hydrogen 2.776 N/A TRP 339.A N ILE 335.A O no hydrogen 2.991 N/A TRP 339.A NE1 HIS 300.A O no hydrogen 3.155 N/A HIS 340.A N PHE 336.A O no hydrogen 2.943 N/A HIS 340.A ND1 PHE 336.A O no hydrogen 2.740 N/A HIS 340.A NE2 HIS 300.A NE2 no hydrogen 2.772 N/A ARG 341.A N TYR 337.A O no hydrogen 2.943 N/A ARG 341.A NH1 ASP 344.A OD2 no hydrogen 2.767 N/A ARG 341.A NH2 ASP 188.A OD2 no hydrogen 2.922 N/A ARG 341.A NH2 ARG 457.A O no hydrogen 3.169 N/A PHE 342.A N ASN 338.A O no hydrogen 3.063 N/A PHE 342.A N TRP 339.A O no hydrogen 3.064 N/A ILE 343.A N TRP 339.A O no hydrogen 2.927 N/A ASP 344.A N HIS 340.A O no hydrogen 2.815 N/A ASN 345.A N ARG 341.A O no hydrogen 3.111 N/A ASN 345.A N PHE 342.A O no hydrogen 3.114 N/A ILE 346.A N ILE 343.A O no hydrogen 3.219 N/A HIS 348.A N ASP 344.A O no hydrogen 2.812 N/A GLU 349.A N ASN 345.A O no hydrogen 2.835 N/A TYR 350.A N ILE 346.A O no hydrogen 3.258 N/A TYR 350.A OH LEU 271.A O no hydrogen 3.427 N/A LYS 351.A N PHE 347.A O no hydrogen 2.971 N/A LYS 351.A NZ THR 277.A OG1 no hydrogen 3.220 N/A LYS 351.A NZ ASP 563.A OD2 no hydrogen 3.272 N/A ASN 352.A N HIS 348.A O no hydrogen 3.044 N/A THR 353.A N TYR 350.A O no hydrogen 2.956 N/A THR 353.A OG1 TYR 350.A O no hydrogen 2.576 N/A LEU 354.A N LYS 351.A O no hydrogen 3.305 N/A TYR 357.A OH ASP 563.A OD1 no hydrogen 2.713 N/A TYR 357.A OH ASP 563.A OD2 no hydrogen 2.893 N/A VAL 361.A N ASP 358.A O no hydrogen 3.075 N/A LEU 362.A N ASP 358.A O no hydrogen 3.411 N/A ASN 363.A N HIS 359.A O no hydrogen 2.932 N/A ASN 363.A ND2 ASN 578.A OD1 no hydrogen 3.108 N/A PHE 364.A N ASN 578.A OD1 no hydrogen 3.132 N/A ILE 367.A N PHE 364.A O no hydrogen 3.202 N/A GLN 368.A N GLN 424.A O no hydrogen 3.084 N/A GLN 368.A NE2 VAL 369.A O no hydrogen 3.297 N/A VAL 369.A N ASN 577.A O no hydrogen 2.900 N/A GLN 370.A N ASN 422.A O no hydrogen 2.831 N/A GLN 370.A NE2 GLN 424.A OE1 no hydrogen 3.458 N/A THR 373.A N ALA 420.A O no hydrogen 2.961 N/A THR 373.A OG1 ASP 371.A OD2 no hydrogen 3.224 N/A LEU 374.A N ASN 380.A OD1 no hydrogen 3.093 N/A HIS 375.A N SER 418.A O no hydrogen 2.814 N/A ARG 377.A N GLU 415.A OE1 no hydrogen 3.118 N/A ASN 380.A N LEU 374.A O no hydrogen 2.893 N/A VAL 382.A N LYS 585.A O no hydrogen 2.804 N/A HIS 383.A N GLU 415.A OE2 no hydrogen 2.860 N/A THR 384.A N LYS 587.A O no hydrogen 2.735 N/A THR 384.A OG1 LYS 513.A O no hydrogen 2.609 N/A THR 384.A OG1 LYS 587.A O no hydrogen 3.314 N/A PHE 385.A N ASP 413.A O no hydrogen 2.888 N/A ARG 387.A N HIS 411.A O no hydrogen 2.977 N/A ARG 387.A NE ASP 413.A OD2 no hydrogen 3.193 N/A ARG 387.A NH2 ASP 413.A OD2 no hydrogen 3.130 N/A GLN 389.A N TYR 409.A O no hydrogen 2.749 N/A LEU 393.A N ILE 405.A O no hydrogen 2.900 N/A GLY 396.A N LEU 393.A O no hydrogen 3.304 N/A ILE 397.A N LEU 393.A O no hydrogen 3.044 N/A ALA 402.A N PRO 399.A O no hydrogen 3.247 N/A LYS 406.A N ILE 122.A O no hydrogen 3.089 N/A ALA 407.A N LEU 391.A O no hydrogen 3.299 N/A ARG 408.A N VAL 124.A O no hydrogen 2.848 N/A TYR 409.A N GLN 389.A O no hydrogen 2.788 N/A HIS 411.A N ARG 387.A O no hydrogen 3.026 N/A ASP 413.A N PHE 385.A O no hydrogen 2.803 N/A HIS 414.A N ASP 413.A OD1 no hydrogen 2.847 N/A HIS 414.A ND1 GLU 415.A O no hydrogen 2.996 N/A HIS 414.A NE2 SER 507.A O no hydrogen 3.117 N/A GLU 415.A N HIS 383.A O no hydrogen 2.954 N/A PHE 417.A N SER 480.A OG no hydrogen 3.259 N/A SER 418.A N HIS 375.A O no hydrogen 3.087 N/A TYR 419.A N ARG 478.A O no hydrogen 2.815 N/A ALA 420.A N THR 373.A O no hydrogen 2.790 N/A VAL 421.A N VAL 476.A O no hydrogen 2.878 N/A ASN 422.A N ASP 371.A O no hydrogen 2.842 N/A VAL 423.A N ASN 474.A O no hydrogen 2.994 N/A GLN 424.A N GLN 368.A O no hydrogen 2.829 N/A GLN 424.A NE2 ASN 426.A OD1 no hydrogen 3.367 N/A ASN 425.A N GLY 472.A O no hydrogen 2.990 N/A ASN 425.A ND2 SER 429.A O no hydrogen 3.065 N/A ASN 425.A ND2 LEU 469.A O no hydrogen 3.092 N/A ASN 426.A N ASP 366.A O no hydrogen 2.819 N/A SER 427.A N ASN 425.A OD1 no hydrogen 2.956 N/A SER 427.A OG SER 429.A O no hydrogen 3.532 N/A SER 429.A N SER 427.A OG no hydrogen 3.218 N/A LYS 431.A N LEU 469.A O no hydrogen 3.009 N/A LYS 431.A NZ SER 427.A OG no hydrogen 3.347 N/A ALA 433.A N THR 467.A O no hydrogen 3.018 N/A THR 434.A N THR 528.A O no hydrogen 2.839 N/A THR 434.A OG1 ASP 533.A OD2 no hydrogen 2.921 N/A VAL 435.A N PHE 465.A O no hydrogen 2.825 N/A ARG 436.A N MET 526.A O no hydrogen 2.712 N/A ARG 436.A NE THR 528.A OG1 no hydrogen 3.082 N/A ARG 436.A NH1 ASP 554.A OD2 no hydrogen 2.763 N/A ARG 436.A NH2 ASP 554.A OD1 no hydrogen 2.915 N/A ARG 436.A NH2 ASP 554.A OD2 no hydrogen 3.159 N/A ILE 437.A N ASP 463.A O no hydrogen 2.870 N/A PHE 438.A N PHE 524.A O no hydrogen 2.868 N/A LEU 439.A N ILE 460.A O no hydrogen 2.870 N/A ALA 440.A N HIS 522.A O no hydrogen 3.097 N/A LYS 442.A N GLU 520.A O no hydrogen 3.297 N/A LYS 442.A NZ ASP 583.A OD1 no hydrogen 3.465 N/A LYS 442.A NZ ASP 583.A OD2 no hydrogen 3.122 N/A ASP 444.A N ASN 448.A O no hydrogen 2.927 N/A GLU 445.A N GLU 445.A OE1 no hydrogen 2.855 N/A LEU 446.A N ASP 444.A OD1 no hydrogen 2.908 N/A GLY 447.A N ASP 444.A O no hydrogen 3.013 N/A ASN 448.A N ASP 444.A OD1 no hydrogen 2.905 N/A ASN 448.A ND2 ASP 444.A OD1 no hydrogen 3.363 N/A ASN 448.A ND2 ASP 444.A OD2 no hydrogen 3.282 N/A ILE 450.A N LYS 442.A O no hydrogen 3.017 N/A LYS 451.A N GLU 454.A OE2 no hydrogen 3.202 N/A ALA 452.A N GLU 569.A O no hydrogen 2.999 N/A GLU 454.A N LYS 451.A O no hydrogen 3.077 N/A LEU 455.A N LYS 451.A O no hydrogen 3.127 N/A ARG 456.A NE PHE 562.A O no hydrogen 3.040 N/A ARG 456.A NH1 ASP 453.A OD1 no hydrogen 3.015 N/A ARG 456.A NH1 ASP 453.A OD2 no hydrogen 3.444 N/A ARG 456.A NH2 ASP 563.A O no hydrogen 3.079 N/A ARG 457.A N GLU 454.A O no hydrogen 3.396 N/A ARG 457.A NH1 ASN 345.A OD1 no hydrogen 3.100 N/A ARG 457.A NH2 ASP 344.A OD2 no hydrogen 2.964 N/A ARG 457.A NH2 ASN 345.A OD1 no hydrogen 2.917 N/A THR 458.A N LEU 455.A O no hydrogen 2.986 N/A ILE 460.A N LEU 439.A O no hydrogen 2.800 N/A GLU 461.A N GLN 182.A OE1 no hydrogen 2.833 N/A LEU 462.A N ILE 437.A O no hydrogen 2.787 N/A ASP 463.A N ILE 437.A O no hydrogen 3.096 N/A LYS 464.A N ASP 463.A OD1 no hydrogen 2.939 N/A LYS 464.A NZ TYR 552.A OH no hydrogen 3.391 N/A LYS 464.A NZ ASP 554.A OD2 no hydrogen 3.003 N/A PHE 465.A N VAL 435.A O no hydrogen 3.160 N/A LYS 466.A NZ ASP 468.A OD1 no hydrogen 2.882 N/A THR 467.A N ALA 433.A O no hydrogen 3.156 N/A LEU 469.A N LYS 431.A O no hydrogen 2.736 N/A HIS 470.A N ASN 474.A OD1 no hydrogen 2.851 N/A HIS 470.A ND1 ASP 430.A OD2 no hydrogen 3.002 N/A GLY 472.A N ASN 425.A O no hydrogen 2.787 N/A LYS 473.A NZ GLN 370.A OE1 no hydrogen 3.325 N/A ASN 474.A ND2 VAL 423.A O no hydrogen 3.301 N/A ASN 474.A ND2 HIS 470.A O no hydrogen 2.758 N/A THR 475.A OG1 ASN 422.A OD1 no hydrogen 3.040 N/A VAL 476.A N VAL 421.A O no hydrogen 2.790 N/A ARG 478.A N TYR 419.A O no hydrogen 3.257 N/A ARG 478.A NE ASP 463.A OD2 no hydrogen 2.879 N/A ARG 478.A NH2 ASP 463.A OD1 no hydrogen 3.277 N/A SER 480.A N PHE 417.A O no hydrogen 2.871 N/A SER 480.A OG PHE 417.A O no hydrogen 3.343 N/A ASP 482.A N HIS 479.A O no hydrogen 2.835 N/A SER 483.A N SER 480.A O no hydrogen 3.236 N/A SER 483.A OG LEU 462.A O no hydrogen 2.657 N/A SER 484.A N ASP 463.A OD1 no hydrogen 3.221 N/A SER 484.A OG ASP 463.A OD1 no hydrogen 3.424 N/A SER 484.A OG LYS 464.A O no hydrogen 3.075 N/A SER 484.A OG SER 543.A OG no hydrogen 2.852 N/A VAL 485.A N SER 483.A OG no hydrogen 3.402 N/A THR 486.A OG1 TRP 505.A O no hydrogen 3.352 N/A LEU 487.A N TRP 505.A O no hydrogen 2.846 N/A SER 488.A N ASP 540.A OD2 no hydrogen 3.007 N/A SER 488.A OG ASP 540.A OD1 no hydrogen 2.915 N/A SER 488.A OG ASP 540.A OD2 no hydrogen 2.863 N/A GLN 490.A NE2 PRO 491.A O no hydrogen 3.299 N/A PHE 493.A N GLU 103.A OE1 no hydrogen 2.789 N/A ASP 495.A N THR 492.A OG1 no hydrogen 3.175 N/A LEU 496.A N THR 492.A O no hydrogen 3.141 N/A LEU 497.A N PHE 493.A O no hydrogen 3.208 N/A SER 502.A OG GLN 490.A OE1 no hydrogen 3.428 N/A CYS 503.A SG HIS 148.A NE2 no hydrogen 3.858 N/A TRP 505.A N VAL 485.A O no hydrogen 2.954 N/A TRP 505.A NE1 LEU 509.A O no hydrogen 2.921 N/A SER 507.A OG LEU 487.A O no hydrogen 2.992 N/A HIS 508.A NE2 ASP 142.A OD1 no hydrogen 3.014 N/A HIS 508.A NE2 ASP 142.A OD2 no hydrogen 3.227 N/A LEU 509.A N PRO 506.A O no hydrogen 2.963 N/A LEU 510.A N SER 507.A O no hydrogen 3.303 N/A LYS 513.A N GLU 190.A OE1 no hydrogen 3.118 N/A GLY 514.A N SER 193.A OG no hydrogen 2.978 N/A MET 519.A N ILE 586.A O no hydrogen 2.840 N/A TYR 521.A N ILE 584.A O no hydrogen 3.025 N/A HIS 522.A N ALA 440.A O no hydrogen 2.721 N/A LEU 523.A N LYS 582.A O no hydrogen 2.818 N/A PHE 524.A N PHE 438.A O no hydrogen 2.884 N/A VAL 525.A N PHE 580.A O no hydrogen 2.888 N/A MET 526.A N ARG 436.A O no hydrogen 2.809 N/A LEU 527.A N ASN 578.A O no hydrogen 2.953 N/A THR 528.A N THR 434.A O no hydrogen 2.960 N/A THR 528.A OG1 ASP 533.A OD2 no hydrogen 2.528 N/A TRP 530.A N HIS 432.A O no hydrogen 3.022 N/A ASP 531.A N ASP 529.A OD1 no hydrogen 3.103 N/A LYS 532.A N ASP 529.A O no hydrogen 2.936 N/A ASP 533.A N ASP 529.A O no hydrogen 3.232 N/A LYS 534.A N TRP 530.A O no hydrogen 2.749 N/A LYS 534.A NZ ASP 531.A O no hydrogen 2.983 N/A LYS 534.A NZ ASP 531.A OD1 no hydrogen 3.339 N/A CYS 538.A SG SER 498.A O no hydrogen 4.042 N/A SER 543.A N SER 484.A O no hydrogen 3.103 N/A SER 543.A OG GLU 461.A OE2 no hydrogen 2.832 N/A SER 543.A OG SER 484.A O no hydrogen 3.327 N/A SER 543.A OG SER 484.A OG no hydrogen 2.852 N/A TYR 544.A N ALA 541.A O no hydrogen 3.199 N/A TYR 544.A OH GLN 182.A OE1 no hydrogen 2.661 N/A CYS 545.A N ALA 541.A O no hydrogen 2.791 N/A CYS 545.A SG HIS 148.A NE2 no hydrogen 3.934 N/A GLY 546.A N VAL 542.A O no hydrogen 2.669 N/A ARG 548.A N ALA 537.A O no hydrogen 3.009 N/A HIS 550.A ND1 LYS 551.A O no hydrogen 2.775 N/A TYR 552.A N ASP 170.A OD2 no hydrogen 2.961 N/A TYR 552.A OH SER 543.A O no hydrogen 2.717 N/A ASP 554.A N TYR 552.A O no hydrogen 2.834 N/A LYS 555.A N ASP 533.A O no hydrogen 2.905 N/A LYS 556.A N ASP 554.A OD1 no hydrogen 3.149 N/A LYS 556.A NZ ASP 533.A OD1 no hydrogen 2.848 N/A MET 558.A N GLU 174.A OE2 no hydrogen 2.974 N/A PHE 560.A N PRO 557.A O no hydrogen 3.011 N/A PHE 562.A N GLY 559.A O no hydrogen 2.776 N/A ARG 564.A NE LYS 355.A O no hydrogen 2.987 N/A ARG 564.A NH2 GLU 273.A OE2 no hydrogen 3.420 N/A ARG 564.A NH2 LYS 355.A O no hydrogen 2.958 N/A ILE 566.A N ASP 453.A OD1 no hydrogen 3.006 N/A HIS 570.A ND1 GLU 449.A OE2 no hydrogen 2.868 N/A ASP 573.A N HIS 570.A O no hydrogen 3.271 N/A PHE 574.A N ILE 571.A O no hydrogen 2.900 N/A LEU 575.A N ILE 571.A O no hydrogen 3.210 N/A THR 576.A OG1 ASN 578.A OD1 no hydrogen 2.909 N/A ASN 578.A ND2 LEU 362.A O no hydrogen 3.109 N/A ASN 578.A ND2 LEU 527.A O no hydrogen 2.746 N/A MET 579.A N THR 576.A O no hydrogen 2.952 N/A PHE 580.A N VAL 525.A O no hydrogen 2.890 N/A LYS 582.A N LEU 523.A O no hydrogen 2.823 N/A ILE 584.A N TYR 521.A O no hydrogen 3.070 N/A LYS 585.A N ASN 380.A O no hydrogen 3.097 N/A ILE 586.A N MET 519.A O no hydrogen 2.950 N/A LYS 587.A N VAL 382.A O no hydrogen 2.824 N/A PHE 588.A N ASN 515.A O no hydrogen 3.347 N/A HIS 589.A N THR 384.A O no hydrogen 2.789 N/A