Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5wql_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N GLN 7.A OE1 no hydrogen 2.503 N/A GLN 7.A N ARG 4.A O no hydrogen 3.155 N/A ILE 8.A N ALA 5.A O no hydrogen 3.380 N/A LEU 11.A N ASN 93.A OD1 no hydrogen 2.819 N/A GLU 14.A N HIS 17.A ND1 no hydrogen 3.049 N/A GLN 16.A N GLN 16.A OE1 no hydrogen 2.731 N/A GLN 16.A NE2 GLU 14.A OE1 no hydrogen 3.024 N/A HIS 17.A N GLU 14.A O no hydrogen 3.127 N/A HIS 17.A NE2 GLU 184.A OE2 no hydrogen 2.908 N/A VAL 20.A N GLN 16.A O no hydrogen 3.115 N/A SER 21.A N HIS 17.A O no hydrogen 3.015 N/A SER 21.A OG LEU 80.A O no hydrogen 2.948 N/A GLU 22.A N ALA 18.A O no hydrogen 3.219 N/A ARG 23.A N THR 19.A O no hydrogen 3.169 N/A ARG 23.A NH1 LEU 462.A O no hydrogen 2.937 N/A ARG 23.A NH1 ASP 467.A OD1 no hydrogen 3.546 N/A ARG 23.A NH1 ASP 467.A OD2 no hydrogen 2.936 N/A ARG 23.A NH2 ASP 467.A OD1 no hydrogen 2.841 N/A VAL 24.A N VAL 20.A O no hydrogen 2.924 N/A THR 25.A N SER 21.A O no hydrogen 2.976 N/A THR 25.A OG1 SER 21.A O no hydrogen 2.730 N/A THR 25.A OG1 LEU 80.A O no hydrogen 3.280 N/A SER 26.A N GLU 22.A O no hydrogen 3.015 N/A ARG 27.A N ARG 23.A O no hydrogen 3.262 N/A PHE 28.A N VAL 24.A O no hydrogen 3.015 N/A THR 29.A N THR 25.A O no hydrogen 2.938 N/A THR 29.A OG1 THR 25.A O no hydrogen 2.532 N/A ARG 30.A N SER 26.A O no hydrogen 3.121 N/A ARG 30.A NH1 SER 26.A OG no hydrogen 3.231 N/A SER 31.A N ARG 27.A O no hydrogen 2.824 N/A HIS 32.A NE2 THR 202.A OG1 no hydrogen 2.780 N/A TYR 33.A N THR 483.A O no hydrogen 2.814 N/A ARG 34.A N HIS 32.A ND1 no hydrogen 3.038 N/A ARG 34.A NH1 ILE 198.A O no hydrogen 2.939 N/A ASP 39.A N ASP 37.A O no hydrogen 2.756 N/A PHE 42.A N ASP 39.A OD1 no hydrogen 2.927 N/A SER 43.A N ASP 39.A O no hydrogen 2.991 N/A SER 43.A OG LYS 73.A O no hydrogen 2.897 N/A ALA 44.A N GLN 40.A O no hydrogen 3.087 N/A LYS 45.A N ALA 41.A O no hydrogen 3.440 N/A ILE 46.A N PHE 42.A O no hydrogen 3.074 N/A PHE 47.A N SER 43.A O no hydrogen 3.122 N/A ASP 48.A N ALA 44.A O no hydrogen 3.256 N/A ARG 49.A N LYS 45.A O no hydrogen 3.234 N/A ARG 49.A NH1 GLU 197.A OE1 no hydrogen 2.577 N/A TYR 50.A N ILE 46.A O no hydrogen 3.061 N/A TYR 50.A OH PHE 88.A O no hydrogen 2.714 N/A LEU 51.A N PHE 47.A O no hydrogen 3.113 N/A ASN 52.A N ASP 48.A O no hydrogen 3.162 N/A LEU 53.A N ARG 49.A O no hydrogen 3.008 N/A LEU 54.A N TYR 50.A O no hydrogen 2.959 N/A ASP 55.A N LEU 51.A O no hydrogen 2.912 N/A HIS 58.A N ASP 55.A O no hydrogen 3.086 N/A HIS 58.A ND1 ALA 129.A O no hydrogen 2.747 N/A HIS 58.A NE2 ASN 52.A OD1 no hydrogen 2.971 N/A ASN 59.A N ASP 55.A OD1 no hydrogen 2.972 N/A VAL 60.A N ASP 55.A OD2 no hydrogen 3.180 N/A LEU 61.A N ASP 55.A OD2 no hydrogen 3.201 N/A LEU 62.A N ASP 65.A OD2 no hydrogen 3.435 N/A ALA 63.A N PRO 132.A O no hydrogen 2.918 N/A VAL 66.A N LEU 62.A O no hydrogen 3.137 N/A GLU 67.A N ALA 63.A O no hydrogen 3.029 N/A GLN 68.A N SER 64.A O no hydrogen 3.171 N/A PHE 69.A N ASP 65.A O no hydrogen 3.446 N/A ALA 70.A N VAL 66.A O no hydrogen 2.783 N/A LYS 72.A N PHE 69.A O no hydrogen 2.797 N/A LYS 73.A N ALA 70.A O no hydrogen 3.312 N/A GLU 75.A N LYS 72.A O no hydrogen 3.109 N/A GLU 79.A N GLU 75.A O no hydrogen 3.169 N/A LEU 80.A N LEU 76.A O no hydrogen 3.015 N/A ARG 81.A N GLY 77.A O no hydrogen 3.100 N/A ARG 81.A NH1 LEU 38.A O no hydrogen 3.049 N/A ARG 81.A NH2 ASP 78.A OD1 no hydrogen 2.371 N/A SER 82.A N ASP 78.A O no hydrogen 3.093 N/A SER 82.A OG ASP 78.A O no hydrogen 3.452 N/A SER 82.A OG GLU 79.A O no hydrogen 3.527 N/A GLY 83.A N GLU 79.A O no hydrogen 2.795 N/A LYS 84.A N SER 82.A OG no hydrogen 3.400 N/A LYS 84.A NZ ASP 86.A OD2 no hydrogen 3.255 N/A LEU 85.A N GLU 13.A OE2 no hydrogen 3.162 N/A VAL 87.A N GLU 79.A OE2 no hydrogen 3.316 N/A TYR 89.A N LEU 85.A O no hydrogen 3.087 N/A TYR 89.A OH SER 183.A O no hydrogen 2.987 N/A TYR 89.A OH SER 183.A OG no hydrogen 2.934 N/A ASP 90.A N ASP 86.A O no hydrogen 2.674 N/A LEU 91.A N VAL 87.A O no hydrogen 3.128 N/A TYR 92.A N PHE 88.A O no hydrogen 3.247 N/A ASN 93.A N TYR 89.A O no hydrogen 3.035 N/A ASN 93.A ND2 LEU 11.A O no hydrogen 3.023 N/A ASN 93.A ND2 TYR 89.A O no hydrogen 3.227 N/A LEU 94.A N ASP 90.A O no hydrogen 3.023 N/A ALA 95.A N LEU 91.A O no hydrogen 3.131 N/A GLN 96.A N TYR 92.A O no hydrogen 2.967 N/A GLN 96.A N ASN 93.A O no hydrogen 3.129 N/A GLN 96.A NE2 LEU 178.A O no hydrogen 2.912 N/A LYS 97.A N ASN 93.A O no hydrogen 3.242 N/A ARG 98.A N LEU 94.A O no hydrogen 2.946 N/A ARG 98.A NE ASP 65.A OD2 no hydrogen 2.563 N/A ARG 98.A NH1 GLU 101.A OE1 no hydrogen 3.216 N/A ARG 98.A NH2 ASP 65.A OD1 no hydrogen 3.295 N/A ARG 98.A NH2 ASP 65.A OD2 no hydrogen 3.247 N/A ARG 99.A N ALA 95.A O no hydrogen 3.024 N/A ARG 99.A NH2 LEU 54.A O no hydrogen 2.976 N/A PHE 100.A N GLN 96.A O no hydrogen 3.220 N/A GLU 101.A N LYS 97.A O no hydrogen 3.074 N/A ARG 102.A N ARG 98.A O no hydrogen 3.100 N/A ARG 102.A NH2 ASN 139.A OD1 no hydrogen 3.149 N/A TYR 103.A N ARG 99.A O no hydrogen 3.046 N/A GLN 104.A N PHE 100.A O no hydrogen 2.933 N/A TYR 105.A N GLU 101.A O no hydrogen 3.104 N/A TYR 105.A OH ASN 139.A O no hydrogen 3.360 N/A TYR 105.A OH ASP 143.A OD1 no hydrogen 2.438 N/A TYR 105.A OH ASP 143.A OD2 no hydrogen 2.932 N/A ALA 106.A N ARG 102.A O no hydrogen 3.038 N/A LEU 107.A N TYR 103.A O no hydrogen 3.199 N/A SER 108.A N GLN 104.A O no hydrogen 3.233 N/A SER 108.A OG GLN 104.A O no hydrogen 3.183 N/A VAL 109.A N TYR 105.A O no hydrogen 3.191 N/A LEU 110.A N LEU 107.A O no hydrogen 2.977 N/A ASP 120.A N ASP 120.A OD1 no hydrogen 2.360 N/A TYR 122.A N VAL 581.A O no hydrogen 2.885 N/A ASN 123.A ND2 ASP 125.A O no hydrogen 3.250 N/A LEU 124.A N ASN 579.A O no hydrogen 2.829 N/A ASP 125.A N ASN 123.A OD1 no hydrogen 2.861 N/A SER 127.A N ASP 125.A OD1 no hydrogen 3.225 N/A SER 127.A OG ASP 125.A OD1 no hydrogen 2.762 N/A ALA 129.A N ARG 126.A O no hydrogen 3.267 N/A LYS 133.A N GLU 137.A OE1 no hydrogen 2.916 N/A GLU 137.A N ASN 134.A OD1 no hydrogen 2.961 N/A LEU 138.A N ASN 134.A O no hydrogen 3.213 N/A ASN 139.A N GLU 135.A O no hydrogen 2.822 N/A ALA 140.A N ALA 136.A O no hydrogen 3.051 N/A LEU 141.A N GLU 137.A O no hydrogen 3.130 N/A TRP 142.A N LEU 138.A O no hydrogen 3.180 N/A TRP 142.A NE1 ASN 59.A O no hydrogen 2.814 N/A ASP 143.A N ASN 139.A O no hydrogen 2.802 N/A SER 144.A N ALA 140.A O no hydrogen 2.986 N/A LYS 145.A N LEU 141.A O no hydrogen 2.936 N/A VAL 146.A N TRP 142.A O no hydrogen 3.088 N/A LYS 147.A N ASP 143.A O no hydrogen 3.316 N/A LYS 147.A NZ ASP 120.A OD2 no hydrogen 2.225 N/A PHE 148.A N SER 144.A O no hydrogen 2.936 N/A ASP 149.A N LYS 145.A O no hydrogen 2.952 N/A GLU 150.A N VAL 146.A O no hydrogen 2.803 N/A LEU 151.A N LYS 147.A O no hydrogen 2.802 N/A SER 152.A N PHE 148.A O no hydrogen 3.129 N/A SER 152.A OG PHE 148.A O no hydrogen 2.476 N/A SER 152.A OG ASP 149.A O no hydrogen 3.452 N/A LEU 153.A N ASP 149.A O no hydrogen 3.344 N/A LYS 154.A N GLU 150.A O no hydrogen 3.160 N/A LEU 155.A N LEU 151.A O no hydrogen 3.030 N/A LEU 155.A N SER 152.A O no hydrogen 3.163 N/A THR 156.A N LEU 153.A O no hydrogen 3.107 N/A THR 156.A OG1 LEU 153.A O no hydrogen 2.288 N/A GLY 157.A N LYS 154.A O no hydrogen 2.897 N/A LYS 158.A NZ THR 156.A OG1 no hydrogen 2.849 N/A GLU 162.A N THR 159.A O no hydrogen 3.026 N/A GLU 162.A N THR 159.A OG1 no hydrogen 3.103 N/A ILE 163.A N THR 159.A O no hydrogen 2.817 N/A ARG 164.A N ASP 160.A O no hydrogen 3.371 N/A ARG 164.A NH2 GLU 111.A O no hydrogen 2.741 N/A THR 166.A N GLU 162.A O no hydrogen 2.760 N/A THR 166.A OG1 GLU 162.A O no hydrogen 3.112 N/A LEU 167.A N ILE 163.A O no hydrogen 3.385 N/A THR 168.A N ARG 164.A O no hydrogen 2.497 N/A THR 168.A OG1 ARG 164.A O no hydrogen 2.217 N/A ARG 169.A N GLU 165.A O no hydrogen 2.623 N/A ARG 169.A NH2 ASP 232.A OD2 no hydrogen 2.942 N/A ARG 170.A N THR 166.A O no hydrogen 2.789 N/A TYR 171.A N LEU 167.A O no hydrogen 2.939 N/A TYR 171.A OH ASP 149.A OD2 no hydrogen 2.946 N/A LYS 172.A N THR 168.A O no hydrogen 3.268 N/A PHE 173.A N ARG 169.A O no hydrogen 3.231 N/A ALA 174.A N ARG 170.A O no hydrogen 3.037 N/A ILE 175.A N TYR 171.A O no hydrogen 3.282 N/A ARG 176.A N LYS 172.A O no hydrogen 3.260 N/A ARG 177.A N PHE 173.A O no hydrogen 2.832 N/A LEU 178.A N ALA 174.A O no hydrogen 3.221 N/A ALA 179.A N ILE 175.A O no hydrogen 3.354 N/A GLN 180.A N ARG 176.A O no hydrogen 3.074 N/A GLN 180.A NE2 GLY 273.A O no hydrogen 2.522 N/A THR 181.A N LEU 178.A O no hydrogen 3.397 N/A THR 181.A OG1 LEU 178.A O no hydrogen 3.393 N/A ASN 182.A N ASP 185.A OD2 no hydrogen 2.978 N/A SER 183.A OG LYS 12.A O no hydrogen 2.507 N/A SER 183.A OG TYR 89.A OH no hydrogen 2.934 N/A ASP 185.A N ASN 182.A O no hydrogen 3.109 N/A ASP 185.A N ASN 182.A OD1 no hydrogen 3.105 N/A PHE 187.A N SER 183.A O no hydrogen 3.063 N/A SER 188.A N GLU 184.A O no hydrogen 2.730 N/A LEU 189.A N ASP 185.A O no hydrogen 3.174 N/A ALA 190.A N VAL 186.A O no hydrogen 3.019 N/A MET 191.A N PHE 187.A O no hydrogen 3.154 N/A THR 192.A N SER 188.A O no hydrogen 3.007 N/A THR 192.A OG1 SER 188.A O no hydrogen 2.965 N/A ALA 193.A N LEU 189.A O no hydrogen 3.113 N/A PHE 194.A N ALA 190.A O no hydrogen 3.191 N/A ALA 195.A N MET 191.A O no hydrogen 2.749 N/A ARG 196.A N THR 192.A O no hydrogen 2.908 N/A ARG 196.A NE THR 202.A O no hydrogen 3.311 N/A ARG 196.A NE ASN 203.A OD1 no hydrogen 3.268 N/A ARG 196.A NH2 ASN 203.A OD1 no hydrogen 2.996 N/A GLU 197.A N PHE 194.A O no hydrogen 3.285 N/A ILE 198.A N ALA 195.A O no hydrogen 3.228 N/A HIS 201.A N ASP 199.A OD1 no hydrogen 3.196 N/A HIS 201.A NE2 GLU 517.A OE1 no hydrogen 2.535 N/A THR 202.A N ASP 199.A O no hydrogen 3.435 N/A THR 202.A OG1 HIS 32.A NE2 no hydrogen 2.780 N/A THR 202.A OG1 ASP 199.A OD1 no hydrogen 2.523 N/A ASN 203.A N GLN 481.A O no hydrogen 2.895 N/A ASN 203.A ND2 GLN 481.A OE1 no hydrogen 3.556 N/A TYR 204.A OH GLU 184.A OE1 no hydrogen 2.946 N/A LEU 205.A N SER 479.A O no hydrogen 2.723 N/A ARG 208.A NH1 ASP 278.A OD1 no hydrogen 3.259 N/A ARG 208.A NH2 ASP 278.A OD1 no hydrogen 2.846 N/A ASN 209.A N SER 206.A OG no hydrogen 3.120 N/A THR 210.A N SER 206.A O no hydrogen 2.543 N/A THR 210.A OG1 LEU 205.A O no hydrogen 3.340 N/A THR 210.A OG1 SER 206.A O no hydrogen 2.765 N/A THR 210.A OG1 SER 479.A OG no hydrogen 2.859 N/A GLU 211.A N PRO 207.A O no hydrogen 3.088 N/A GLN 212.A N ARG 208.A O no hydrogen 3.038 N/A PHE 213.A N ASN 209.A O no hydrogen 2.924 N/A ASN 214.A N THR 210.A O no hydrogen 2.924 N/A THR 215.A N GLU 211.A O no hydrogen 3.007 N/A THR 215.A OG1 GLU 211.A O no hydrogen 3.473 N/A THR 215.A OG1 SER 220.A O no hydrogen 2.789 N/A GLU 216.A N GLN 212.A O no hydrogen 3.128 N/A MET 217.A N PHE 213.A O no hydrogen 3.143 N/A SER 218.A N ASN 214.A O no hydrogen 2.937 N/A SER 218.A OG ASN 214.A O no hydrogen 3.165 N/A SER 218.A OG SER 220.A OG no hydrogen 3.349 N/A LEU 219.A N THR 215.A O no hydrogen 2.940 N/A SER 220.A N SER 218.A OG no hydrogen 2.970 N/A SER 220.A OG SER 218.A OG no hydrogen 3.349 N/A LEU 221.A N ILE 314.A O no hydrogen 3.074 N/A GLY 223.A N GLU 312.A O no hydrogen 3.185 N/A VAL 227.A N SER 239.A O no hydrogen 3.183 N/A ASP 231.A N TYR 234.A O no hydrogen 3.123 N/A VAL 236.A N GLN 229.A O no hydrogen 2.491 N/A ILE 237.A N ASP 256.A O no hydrogen 3.324 N/A VAL 241.A N GLY 225.A O no hydrogen 2.760 N/A GLY 244.A N VAL 241.A O no hydrogen 2.695 N/A ALA 246.A N ILE 224.A O no hydrogen 3.207 N/A LYS 248.A N GLY 244.A O no hydrogen 3.012 N/A SER 249.A OG ALA 246.A O no hydrogen 2.977 N/A ILE 252.A N SER 249.A O no hydrogen 3.463 N/A SER 253.A N ASP 256.A OD2 no hydrogen 3.407 N/A GLY 255.A N ILE 237.A O no hydrogen 3.023 N/A ASP 256.A N SER 253.A O no hydrogen 3.045 N/A LYS 257.A N LEU 296.A O no hydrogen 2.786 N/A ILE 258.A N THR 235.A O no hydrogen 3.010 N/A VAL 259.A N GLU 294.A O no hydrogen 2.696 N/A VAL 261.A N VAL 269.A O no hydrogen 2.959 N/A GLY 262.A N ARG 292.A O no hydrogen 2.474 N/A GLN 263.A NE2 LEU 282.A O no hydrogen 3.246 N/A THR 264.A OG1 LYS 290.A O no hydrogen 2.965 N/A VAL 269.A N VAL 261.A O no hydrogen 3.023 N/A ILE 272.A N ASP 270.A OD1 no hydrogen 3.140 N/A GLY 273.A N ASP 233.A O no hydrogen 2.840 N/A TRP 274.A N VAL 271.A O no hydrogen 3.344 N/A ARG 275.A NH1 GLN 180.A O no hydrogen 3.223 N/A ARG 275.A NH1 ASP 185.A OD2 no hydrogen 2.991 N/A ARG 275.A NH2 ASP 185.A OD1 no hydrogen 3.025 N/A ARG 275.A NH2 ASP 277.A OD2 no hydrogen 3.503 N/A ASP 278.A N ARG 275.A O no hydrogen 3.061 N/A VAL 280.A N LEU 276.A O no hydrogen 2.984 N/A ALA 281.A N ASP 277.A O no hydrogen 2.849 N/A LEU 282.A N ASP 278.A O no hydrogen 3.065 N/A ILE 283.A N VAL 279.A O no hydrogen 2.815 N/A LYS 284.A N VAL 280.A O no hydrogen 2.942 N/A LYS 284.A NZ GLU 211.A OE2 no hydrogen 3.450 N/A LYS 287.A N GLU 222.A OE2 no hydrogen 2.685 N/A LYS 287.A NZ GLU 222.A OE1 no hydrogen 3.183 N/A GLY 288.A N ARG 311.A O no hydrogen 2.722 N/A SER 289.A N PRO 286.A O no hydrogen 2.832 N/A VAL 291.A N LEU 309.A O no hydrogen 2.864 N/A ARG 292.A N GLY 262.A O no hydrogen 2.715 N/A ARG 292.A NH1 GLN 263.A O no hydrogen 3.075 N/A ARG 292.A NH1 LYS 266.A O no hydrogen 3.083 N/A LEU 293.A N VAL 307.A O no hydrogen 2.836 N/A GLU 294.A N GLY 260.A O no hydrogen 2.848 N/A ILE 295.A N ARG 305.A O no hydrogen 2.949 N/A LEU 296.A N LYS 257.A O no hydrogen 2.532 N/A ARG 305.A N ILE 295.A O no hydrogen 3.161 N/A THR 306.A OG1 GLU 294.A OE2 no hydrogen 2.494 N/A VAL 307.A N LEU 293.A O no hydrogen 3.046 N/A LEU 309.A N VAL 291.A O no hydrogen 2.943 N/A THR 310.A OG1 SER 289.A O no hydrogen 2.998 N/A ARG 311.A N SER 289.A O no hydrogen 2.666 N/A ARG 311.A NH1 LEU 282.A O no hydrogen 3.198 N/A ARG 311.A NH1 ILE 283.A O no hydrogen 2.238 N/A ARG 311.A NH2 GLN 263.A OE1 no hydrogen 2.672 N/A GLU 312.A N GLY 223.A O no hydrogen 3.289 N/A ILE 314.A N LEU 221.A O no hydrogen 2.660 N/A ARG 315.A NE GLU 317.A OE1 no hydrogen 3.405 N/A ARG 315.A NH2 ASP 348.A OD2 no hydrogen 2.616 N/A LEU 316.A N LEU 219.A O no hydrogen 2.836 N/A GLU 317.A N ARG 315.A O no hydrogen 3.069 N/A ASP 318.A N ASP 318.A OD1 no hydrogen 2.302 N/A ARG 319.A N LEU 316.A O no hydrogen 3.106 N/A ALA 320.A N GLU 317.A O no hydrogen 3.080 N/A VAL 321.A N TYR 342.A OH no hydrogen 3.451 N/A LYS 322.A N ASP 337.A O no hydrogen 3.252 N/A SER 324.A N VAL 335.A O no hydrogen 3.104 N/A LYS 326.A N VAL 333.A O no hydrogen 2.853 N/A LYS 326.A NZ ASP 633.A OD1 no hydrogen 2.716 N/A VAL 328.A N GLU 331.A O no hydrogen 2.576 N/A VAL 333.A N LYS 326.A O no hydrogen 2.872 N/A GLY 334.A N SER 363.A O no hydrogen 2.670 N/A VAL 335.A N SER 324.A O no hydrogen 2.799 N/A LEU 336.A N ILE 365.A O no hydrogen 2.569 N/A ASP 337.A N LYS 322.A O no hydrogen 3.029 N/A ILE 338.A N ASP 367.A O no hydrogen 3.193 N/A PHE 341.A N GLY 373.A O no hydrogen 3.299 N/A TYR 342.A OH ASP 348.A OD2 no hydrogen 2.770 N/A VAL 343.A N MET 217.A O no hydrogen 2.875 N/A GLY 344.A N GLU 378.A OE2 no hydrogen 2.733 N/A LEU 345.A N TYR 342.A O no hydrogen 3.209 N/A THR 346.A N GLU 378.A OE1 no hydrogen 3.113 N/A THR 346.A OG1 GLU 378.A OE1 no hydrogen 2.852 N/A THR 346.A OG1 SER 381.A OG no hydrogen 2.473 N/A ASP 348.A N GLY 344.A O no hydrogen 3.032 N/A VAL 349.A N LEU 345.A O no hydrogen 2.812 N/A LYS 350.A N THR 346.A O no hydrogen 2.921 N/A VAL 351.A N ASP 347.A O no hydrogen 3.477 N/A GLN 352.A N ASP 348.A O no hydrogen 3.444 N/A LEU 353.A N VAL 349.A O no hydrogen 2.879 N/A GLN 354.A N LYS 350.A O no hydrogen 3.106 N/A LYS 355.A N VAL 351.A O no hydrogen 3.088 N/A LEU 356.A N GLN 352.A O no hydrogen 3.079 N/A LEU 356.A N LEU 353.A O no hydrogen 2.998 N/A GLU 357.A N GLN 354.A O no hydrogen 2.876 N/A LYS 358.A NZ LYS 355.A O no hydrogen 3.303 N/A SER 362.A N LYS 332.A O no hydrogen 3.234 N/A VAL 364.A N PRO 417.A O no hydrogen 3.331 N/A ILE 365.A N GLY 334.A O no hydrogen 2.559 N/A ILE 366.A N VAL 419.A O no hydrogen 2.920 N/A ASP 367.A N LEU 336.A O no hydrogen 2.749 N/A LEU 368.A N LEU 421.A O no hydrogen 3.038 N/A ARG 369.A N ASP 367.A OD1 no hydrogen 3.282 N/A ARG 369.A NE ASP 367.A OD1 no hydrogen 2.952 N/A ARG 369.A NE ASP 367.A OD2 no hydrogen 3.407 N/A ARG 369.A NH1 ASP 629.A OD1 no hydrogen 3.170 N/A ARG 369.A NH2 ASP 367.A OD2 no hydrogen 2.865 N/A ARG 369.A NH2 ASP 629.A OD2 no hydrogen 3.112 N/A SER 370.A N ASP 423.A OD1 no hydrogen 2.976 N/A ASN 371.A N LEU 368.A O no hydrogen 3.050 N/A ASN 371.A ND2 ILE 338.A O no hydrogen 2.944 N/A GLY 373.A N ASN 371.A OD1 no hydrogen 2.999 N/A ALA 375.A N PHE 341.A O no hydrogen 3.082 N/A ALA 379.A N ALA 375.A O no hydrogen 3.428 N/A VAL 380.A N LEU 376.A O no hydrogen 3.220 N/A SER 381.A N THR 377.A O no hydrogen 2.892 N/A SER 381.A OG THR 346.A OG1 no hydrogen 2.473 N/A SER 381.A OG THR 377.A O no hydrogen 3.345 N/A SER 381.A OG GLU 378.A O no hydrogen 3.412 N/A LEU 382.A N GLU 378.A O no hydrogen 2.783 N/A SER 383.A N ALA 379.A O no hydrogen 3.058 N/A SER 383.A OG ALA 379.A O no hydrogen 3.006 N/A GLY 384.A N VAL 380.A O no hydrogen 3.012 N/A LEU 385.A N LEU 382.A O no hydrogen 3.199 N/A PHE 386.A N SER 383.A O no hydrogen 3.390 N/A ILE 392.A N ASP 405.A O no hydrogen 2.789 N/A GLN 394.A N TYR 488.A O no hydrogen 3.031 N/A VAL 395.A N ARG 403.A O no hydrogen 2.949 N/A ARG 396.A N LYS 486.A O no hydrogen 3.141 N/A ASP 397.A N LYS 401.A O no hydrogen 3.043 N/A ASN 398.A ND2 TYR 33.A O no hydrogen 3.273 N/A ASN 399.A N ASP 397.A OD1 no hydrogen 2.726 N/A LYS 401.A N ASP 397.A OD1 no hydrogen 3.025 N/A ARG 403.A N VAL 395.A O no hydrogen 2.909 N/A ARG 403.A NH1 ASP 405.A OD1 no hydrogen 2.656 N/A ASP 405.A N VAL 393.A O no hydrogen 3.044 N/A SER 406.A OG GLY 390.A O no hydrogen 3.400 N/A GLY 410.A N ASP 407.A O no hydrogen 2.822 N/A PHE 413.A N LEU 385.A O no hydrogen 2.537 N/A TYR 414.A N LEU 385.A O no hydrogen 3.261 N/A TYR 414.A OH PRO 417.A O no hydrogen 3.035 N/A VAL 419.A N VAL 364.A O no hydrogen 3.045 N/A VAL 420.A N LEU 444.A O no hydrogen 2.700 N/A LEU 421.A N ILE 366.A O no hydrogen 3.025 N/A VAL 422.A N VAL 446.A O no hydrogen 2.777 N/A ASP 423.A N SER 426.A OG no hydrogen 3.244 N/A ARG 424.A N GLU 448.A OE1 no hydrogen 3.028 N/A ARG 424.A NE GLU 448.A OE1 no hydrogen 2.794 N/A ARG 424.A NH2 GLU 448.A OE2 no hydrogen 2.875 N/A PHE 425.A N ASP 423.A OD1 no hydrogen 2.815 N/A SER 426.A N ASP 423.A O no hydrogen 3.038 N/A SER 426.A OG LEU 368.A O no hydrogen 2.516 N/A SER 426.A OG ASP 423.A O no hydrogen 3.513 N/A ALA 427.A N ASN 371.A O no hydrogen 2.863 N/A SER 428.A N GLU 431.A OE1 no hydrogen 2.971 N/A SER 430.A N ALA 427.A O no hydrogen 3.178 N/A SER 430.A OG ASN 371.A O no hydrogen 3.254 N/A ILE 432.A N SER 428.A O no hydrogen 2.847 N/A PHE 433.A N ALA 429.A O no hydrogen 2.896 N/A ALA 434.A N SER 430.A O no hydrogen 2.903 N/A ALA 435.A N GLU 431.A O no hydrogen 2.877 N/A ALA 436.A N ILE 432.A O no hydrogen 3.011 N/A MET 437.A N PHE 433.A O no hydrogen 3.141 N/A GLN 438.A N ALA 434.A O no hydrogen 3.043 N/A GLN 438.A NE2 THR 501.A O no hydrogen 3.286 N/A ASP 439.A N ALA 435.A O no hydrogen 3.002 N/A TYR 440.A N ALA 436.A O no hydrogen 3.092 N/A TYR 440.A OH PRO 391.A O no hydrogen 2.792 N/A GLY 441.A N GLN 438.A O no hydrogen 3.241 N/A ARG 442.A N MET 437.A O no hydrogen 3.078 N/A ARG 442.A NE PHE 386.A O no hydrogen 3.180 N/A ARG 442.A NH1 GLY 416.A O no hydrogen 2.543 N/A ARG 442.A NH1 ARG 442.A O no hydrogen 3.140 N/A ARG 442.A NH2 TYR 414.A O no hydrogen 2.649 N/A ARG 442.A NH2 GLY 416.A O no hydrogen 2.865 N/A ALA 443.A N MET 437.A O no hydrogen 3.432 N/A LEU 444.A N LEU 418.A O no hydrogen 3.313 N/A VAL 445.A N ASP 503.A OD2 no hydrogen 2.610 N/A VAL 446.A N VAL 420.A O no hydrogen 2.771 N/A GLY 447.A N ILE 504.A O no hydrogen 3.166 N/A GLU 448.A N VAL 422.A O no hydrogen 2.887 N/A THR 450.A OG1 GLU 431.A OE2 no hydrogen 2.775 N/A PHE 451.A N SER 426.A O no hydrogen 3.027 N/A GLY 452.A N GLU 431.A OE2 no hydrogen 2.775 N/A ALA 453.A N GLU 431.A OE1 no hydrogen 2.964 N/A VAL 456.A N GLN 485.A O no hydrogen 2.984 N/A GLN 457.A NE2 THR 455.A OG1 no hydrogen 2.792 N/A GLN 457.A NE2 THR 483.A OG1 no hydrogen 2.996 N/A GLN 458.A N TYR 482.A O no hydrogen 2.847 N/A TYR 459.A OH ASN 214.A OD1 no hydrogen 2.769 N/A ARG 460.A N VAL 480.A O no hydrogen 2.958 N/A LEU 462.A N GLY 478.A O no hydrogen 3.115 N/A ASN 463.A N SER 461.A OG no hydrogen 2.948 N/A ARG 464.A N ASP 467.A OD2 no hydrogen 2.888 N/A ASP 467.A N ARG 464.A O no hydrogen 3.134 N/A LEU 470.A N TYR 466.A O no hydrogen 3.029 N/A ARG 471.A N ASP 467.A O no hydrogen 2.619 N/A ARG 471.A NH1 LEU 470.A O no hydrogen 3.369 N/A GLU 473.A N GLU 473.A OE2 no hydrogen 2.409 N/A TRP 474.A N ARG 471.A O no hydrogen 3.052 N/A SER 479.A N LEU 205.A O no hydrogen 2.860 N/A SER 479.A OG THR 210.A OG1 no hydrogen 2.859 N/A VAL 480.A N ARG 460.A O no hydrogen 2.903 N/A GLN 481.A N ASN 203.A O no hydrogen 2.996 N/A TYR 482.A N GLN 458.A O no hydrogen 3.002 N/A THR 483.A OG1 ASP 199.A OD1 no hydrogen 3.453 N/A THR 483.A OG1 ASP 199.A OD2 no hydrogen 2.955 N/A ILE 484.A N VAL 456.A O no hydrogen 3.137 N/A GLN 485.A N VAL 456.A O no hydrogen 3.406 N/A LYS 486.A N ARG 396.A O no hydrogen 3.088 N/A LYS 486.A NZ PRO 525.A O no hydrogen 2.787 N/A LYS 486.A NZ ASP 527.A OD2 no hydrogen 2.806 N/A PHE 487.A N GLY 454.A O no hydrogen 2.921 N/A TYR 488.A N GLN 394.A O no hydrogen 2.764 N/A TYR 488.A OH ASP 527.A OD1 no hydrogen 2.537 N/A ARG 489.A N GLY 493.A O no hydrogen 2.841 N/A ARG 489.A NE ASP 439.A OD2 no hydrogen 3.024 N/A ARG 489.A NH2 GLN 438.A OE1 no hydrogen 3.140 N/A ARG 489.A NH2 ASP 439.A OD1 no hydrogen 3.198 N/A ARG 489.A NH2 ASP 439.A OD2 no hydrogen 3.511 N/A GLY 492.A N ARG 489.A O no hydrogen 2.895 N/A GLY 493.A N ASN 491.A OD1 no hydrogen 2.608 N/A THR 495.A OG1 ALA 453.A O no hydrogen 2.776 N/A GLN 496.A N SER 494.A OG no hydrogen 3.191 N/A GLN 496.A NE2 GLU 517.A OE2 no hydrogen 3.217 N/A GLN 496.A NE2 LEU 524.A O no hydrogen 2.961 N/A ARG 497.A N GLY 452.A O no hydrogen 2.954 N/A ARG 497.A NE LEU 524.A O no hydrogen 2.943 N/A ARG 497.A NH2 ALA 523.A O no hydrogen 3.038 N/A LYS 498.A N THR 495.A O no hydrogen 3.196 N/A GLY 499.A N THR 495.A O no hydrogen 2.932 N/A VAL 500.A N THR 450.A OG1 no hydrogen 2.511 N/A ASP 503.A N VAL 445.A O no hydrogen 2.599 N/A ILE 504.A N VAL 445.A O no hydrogen 3.260 N/A MET 506.A N GLY 447.A O no hydrogen 2.917 N/A THR 508.A N TYR 631.A OH no hydrogen 3.036 N/A THR 508.A OG1 TYR 631.A OH no hydrogen 2.270 N/A GLY 509.A N MET 506.A O no hydrogen 2.741 N/A ASN 510.A N PRO 507.A O no hydrogen 3.250 N/A GLU 511.A N THR 508.A O no hydrogen 3.346 N/A THR 513.A OG1 GLU 514.A OE1 no hydrogen 3.130 N/A THR 513.A OG1 THR 515.A O no hydrogen 3.506 N/A GLU 514.A N GLU 514.A OE1 no hydrogen 2.046 N/A THR 515.A N THR 513.A OG1 no hydrogen 3.128 N/A THR 515.A OG1 THR 513.A OG1 no hydrogen 3.120 N/A GLU 517.A N PHE 451.A O no hydrogen 2.982 N/A PHE 519.A N GLY 516.A O no hydrogen 3.209 N/A GLU 520.A N GLU 517.A O no hydrogen 3.016 N/A ASN 522.A ND2 ARG 196.A O no hydrogen 3.524 N/A ASN 522.A ND2 GLU 197.A OE2 no hydrogen 3.377 N/A TRP 526.A NE1 SER 494.A O no hydrogen 3.026 N/A SER 528.A OG GLY 492.A O no hydrogen 2.936 N/A ILE 529.A N GLY 492.A O no hydrogen 3.235 N/A ALA 532.A N VAL 490.A O no hydrogen 2.988 N/A SER 537.A N TYR 440.A O no hydrogen 2.610 N/A GLY 538.A N TYR 440.A O no hydrogen 3.238 N/A THR 541.A N ASP 539.A OD1 no hydrogen 2.566 N/A PHE 543.A N LEU 540.A O no hydrogen 3.123 N/A GLU 544.A N THR 541.A O no hydrogen 3.044 N/A LEU 547.A N PHE 543.A O no hydrogen 3.475 N/A LEU 548.A N GLU 544.A O no hydrogen 3.040 N/A LYS 549.A N PRO 545.A O no hydrogen 3.120 N/A GLU 550.A N GLU 546.A O no hydrogen 2.957 N/A HIS 551.A N LEU 547.A O no hydrogen 2.825 N/A HIS 551.A ND1 GLU 634.A OE1 no hydrogen 2.680 N/A ASN 552.A N LEU 548.A O no hydrogen 2.655 N/A ALA 553.A N LYS 549.A O no hydrogen 3.007 N/A ARG 554.A N GLU 550.A O no hydrogen 3.155 N/A ARG 554.A NE GLU 634.A OE2 no hydrogen 3.206 N/A ARG 554.A NH1 ASP 641.A OD2 no hydrogen 3.423 N/A ARG 554.A NH2 GLU 634.A OE1 no hydrogen 2.947 N/A ILE 555.A N HIS 551.A O no hydrogen 3.272 N/A ALA 556.A N ASN 552.A O no hydrogen 3.274 N/A LYS 557.A N ALA 553.A O no hydrogen 3.297 N/A LYS 557.A NZ ARG 554.A O no hydrogen 2.460 N/A ASP 558.A N ILE 555.A O no hydrogen 3.310 N/A GLU 560.A N ASP 558.A OD1 no hydrogen 2.989 N/A PHE 561.A N ASP 558.A OD1 no hydrogen 3.402 N/A GLN 562.A N ASP 558.A O no hydrogen 2.869 N/A GLN 562.A NE2 ALA 556.A O no hydrogen 3.053 N/A ASN 563.A N PRO 559.A O no hydrogen 2.967 N/A ILE 564.A N GLU 560.A O no hydrogen 3.017 N/A MET 565.A N PHE 561.A O no hydrogen 2.967 N/A LYS 566.A N GLN 562.A O no hydrogen 3.171 N/A ASP 567.A N ASN 563.A O no hydrogen 2.777 N/A ILE 568.A N ILE 564.A O no hydrogen 2.847 N/A ALA 569.A N MET 565.A O no hydrogen 2.966 N/A ARG 570.A N LYS 566.A O no hydrogen 3.012 N/A PHE 571.A N ASP 567.A O no hydrogen 2.867 N/A ASN 572.A N ILE 568.A O no hydrogen 2.775 N/A ASN 572.A ND2 GLU 511.A OE1 no hydrogen 3.499 N/A ALA 573.A N ALA 569.A O no hydrogen 3.039 N/A MET 574.A N ARG 570.A O no hydrogen 2.996 N/A MET 574.A N PHE 571.A O no hydrogen 3.253 N/A LYS 575.A NZ ASN 572.A OD1 no hydrogen 3.333 N/A ARG 578.A N LYS 575.A O no hydrogen 3.382 N/A ILE 580.A N LYS 577.A O no hydrogen 3.109 N/A VAL 581.A N TYR 122.A O no hydrogen 2.928 N/A LEU 583.A N ASP 120.A O no hydrogen 2.929 N/A ASN 584.A N SER 582.A OG no hydrogen 3.093 N/A ASN 584.A ND2 GLY 118.A O no hydrogen 3.611 N/A TYR 585.A N PHE 116.A O no hydrogen 2.603 N/A VAL 587.A N ASN 584.A OD1 no hydrogen 2.382 N/A ARG 588.A N ASN 584.A O no hydrogen 3.168 N/A ARG 588.A NE SER 582.A O no hydrogen 2.960 N/A GLU 589.A N TYR 585.A O no hydrogen 2.855 N/A LYS 590.A N ALA 586.A O no hydrogen 2.799 N/A GLU 591.A N VAL 587.A O no hydrogen 3.023 N/A ASN 592.A N ARG 588.A O no hydrogen 2.719 N/A ASN 593.A N GLU 589.A O no hydrogen 2.911 N/A GLU 594.A N LYS 590.A O no hydrogen 2.910 N/A ASP 595.A N GLU 591.A O no hydrogen 2.895 N/A ASP 596.A N ASN 592.A O no hydrogen 3.229 N/A ALA 597.A N ASN 593.A O no hydrogen 3.304 N/A THR 598.A N GLU 594.A O no hydrogen 3.265 N/A THR 598.A OG1 GLU 594.A O no hydrogen 3.322 N/A ARG 599.A N ASP 595.A O no hydrogen 3.060 N/A ARG 599.A NH1 GLU 627.A OE1 no hydrogen 3.340 N/A ARG 599.A NH1 GLU 627.A OE2 no hydrogen 2.983 N/A ARG 599.A NH2 GLU 627.A OE1 no hydrogen 2.968 N/A LEU 600.A N ASP 596.A O no hydrogen 2.987 N/A ALA 601.A N ALA 597.A O no hydrogen 2.756 N/A ARG 602.A N THR 598.A O no hydrogen 2.779 N/A ARG 602.A NH1 ASP 567.A OD2 no hydrogen 3.404 N/A ARG 602.A NH2 ASP 567.A OD1 no hydrogen 3.078 N/A LEU 603.A N ARG 599.A O no hydrogen 3.096 N/A ASN 604.A N LEU 600.A O no hydrogen 2.907 N/A ASN 604.A ND2 LEU 615.A O no hydrogen 3.451 N/A GLU 605.A N ALA 601.A O no hydrogen 2.901 N/A ARG 606.A N ARG 602.A O no hydrogen 3.314 N/A ARG 606.A NE GLU 560.A OE1 no hydrogen 3.537 N/A ARG 606.A NE GLU 560.A OE2 no hydrogen 2.880 N/A ARG 606.A NH1 TYR 625.A OH no hydrogen 3.013 N/A ARG 606.A NH1 GLU 627.A OE2 no hydrogen 3.425 N/A ARG 606.A NH2 GLU 560.A OE1 no hydrogen 3.510 N/A ARG 606.A NH2 GLU 627.A OE2 no hydrogen 3.265 N/A PHE 607.A N LEU 603.A O no hydrogen 2.952 N/A LYS 608.A N ASN 604.A O no hydrogen 2.874 N/A ARG 609.A N GLU 605.A O no hydrogen 3.013 N/A GLU 610.A N ARG 606.A O no hydrogen 2.798 N/A GLY 611.A N LYS 608.A O no hydrogen 3.208 N/A LYS 612.A N PHE 607.A O no hydrogen 2.821 N/A LEU 615.A N ASN 604.A OD1 no hydrogen 3.051 N/A LYS 617.A NZ ASP 620.A OD1 no hydrogen 3.360 N/A ASP 620.A N LYS 617.A O no hydrogen 2.980 N/A LEU 621.A N LEU 618.A O no hydrogen 3.176 N/A TYR 625.A N PRO 622.A O no hydrogen 3.489 N/A LEU 632.A N ASP 629.A OD1 no hydrogen 3.260 N/A ASP 633.A N ASP 629.A O no hydrogen 2.947 N/A GLU 634.A N PRO 630.A O no hydrogen 3.006 N/A THR 635.A N TYR 631.A O no hydrogen 3.069 N/A THR 635.A OG1 TYR 631.A O no hydrogen 2.820 N/A VAL 636.A N LEU 632.A O no hydrogen 2.891 N/A ASN 637.A N ASP 633.A O no hydrogen 2.945 N/A ASN 637.A ND2 GLU 634.A OE2 no hydrogen 2.739 N/A ILE 638.A N GLU 634.A O no hydrogen 2.968 N/A ALA 639.A N THR 635.A O no hydrogen 2.906 N/A LEU 640.A N VAL 636.A O no hydrogen 3.430 N/A ASP 641.A N ASN 637.A O no hydrogen 3.206 N/A LEU 642.A N ILE 638.A O no hydrogen 3.254 N/A ALA 643.A N ALA 639.A O no hydrogen 2.757 N/A LYS 644.A N LEU 640.A O no hydrogen 2.546 N/A LEU 645.A N ASP 641.A O no hydrogen 2.422 N/A LYS 647.A NZ ALA 643.A O no hydrogen 2.506 N/A