Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ubt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N VAL 20.A O no hydrogen 2.879 N/A VAL 6.A N PHE 18.A O no hydrogen 3.100 N/A ASP 7.A N PRO 81.A O no hydrogen 2.855 N/A PHE 8.A N LEU 16.A O no hydrogen 2.677 N/A LEU 9.A N LEU 83.A O no hydrogen 2.948 N/A LEU 10.A N VAL 14.A O no hydrogen 2.788 N/A GLY 13.A N LEU 10.A O no hydrogen 2.828 N/A TYR 15.A OH ASP 7.A OD1 no hydrogen 2.828 N/A LEU 16.A N PHE 8.A O no hydrogen 3.024 N/A PHE 18.A N VAL 6.A O no hydrogen 3.196 N/A VAL 20.A N VAL 4.A O no hydrogen 2.956 N/A SER 21.A OG GLN 2.A O no hydrogen 3.563 N/A ARG 22.A N GLN 2.A O no hydrogen 2.804 N/A ASN 23.A N SER 21.A OG no hydrogen 3.327 N/A ALA 24.A N SER 21.A O no hydrogen 2.986 N/A ASN 25.A ND2 GLU 69.A O no hydrogen 3.382 N/A ASN 25.A ND2 GLN 70.A OE1 no hydrogen 3.556 N/A LEU 26.A N ARG 71.A O no hydrogen 3.143 N/A SER 27.A N GLU 69.A O no hydrogen 2.893 N/A THR 28.A OG1 ASN 25.A OD1 no hydrogen 3.445 N/A ILE 29.A N ASN 25.A O no hydrogen 3.151 N/A LYS 30.A N LEU 26.A O no hydrogen 2.894 N/A LYS 30.A NZ PRO 49.A O no hydrogen 3.052 N/A LYS 30.A NZ TYR 52.A O no hydrogen 2.887 N/A LYS 30.A NZ GLU 69.A OE1 no hydrogen 2.801 N/A LEU 32.A N THR 28.A O no hydrogen 3.055 N/A LEU 33.A N ILE 29.A O no hydrogen 2.844 N/A TRP 34.A N LYS 30.A O no hydrogen 2.987 N/A HIS 35.A N GLN 31.A O no hydrogen 3.097 N/A ARG 36.A N LEU 32.A O no hydrogen 3.323 N/A ARG 36.A N LEU 33.A O no hydrogen 3.146 N/A ALA 37.A N LEU 33.A O no hydrogen 2.793 N/A GLN 38.A N TRP 34.A O no hydrogen 3.367 N/A GLN 38.A NE2 HIS 35.A O no hydrogen 3.061 N/A TYR 39.A N ARG 36.A O no hydrogen 2.977 N/A GLU 40.A N ALA 37.A O no hydrogen 3.178 N/A MET 45.A N LEU 42.A O no hydrogen 3.288 N/A LEU 46.A N PHE 43.A O no hydrogen 3.090 N/A SER 47.A N TYR 52.A OH no hydrogen 2.796 N/A ALA 51.A N GLY 48.A O no hydrogen 2.930 N/A TYR 52.A N PRO 49.A O no hydrogen 3.084 N/A VAL 53.A N VAL 86.A O no hydrogen 3.198 N/A CYS 56.A N GLN 64.A O no hydrogen 3.136 N/A ASN 58.A N GLU 62.A O no hydrogen 3.018 N/A GLN 59.A NE2 GLN 77.A O no hydrogen 3.000 N/A THR 60.A OG1 ASN 58.A OD1 no hydrogen 2.717 N/A ALA 61.A N ASN 58.A O no hydrogen 2.817 N/A GLU 62.A N ASN 58.A OD1 no hydrogen 3.378 N/A GLN 64.A N CYS 56.A O no hydrogen 2.786 N/A LEU 66.A N PHE 54.A O no hydrogen 2.803 N/A GLN 70.A N ASP 68.A OD1 no hydrogen 3.439 N/A ARG 71.A N ASP 68.A O no hydrogen 3.249 N/A ARG 71.A NH2 ASP 75.A O no hydrogen 3.483 N/A ARG 72.A N ASP 75.A OD2 no hydrogen 3.355 N/A LEU 73.A N ALA 24.A O no hydrogen 2.930 N/A CYS 74.A N ARG 22.A O no hydrogen 2.998 N/A CYS 74.A SG ASP 75.A OD1 no hydrogen 3.753 N/A VAL 76.A N ARG 72.A O no hydrogen 2.872 N/A GLN 77.A N LEU 73.A O no hydrogen 2.817 N/A GLN 77.A NE2 CYS 74.A O no hydrogen 3.153 N/A PHE 79.A N ILE 57.A O no hydrogen 2.747 N/A VAL 82.A N LEU 80.A O no hydrogen 2.750 N/A LEU 83.A N ASP 7.A O no hydrogen 2.823 N/A ARG 84.A N THR 55.A O no hydrogen 3.040 N/A LEU 85.A N LEU 9.A O no hydrogen 3.102 N/A VAL 86.A N VAL 53.A O no hydrogen 3.090 N/A ARG 88.A N ALA 51.A O no hydrogen 3.347 N/A ARG 88.A NH1 GLU 50.A O no hydrogen 2.878 N/A LEU 96.A N ARG 92.A O no hydrogen 2.851 N/A ILE 97.A N VAL 93.A O no hydrogen 3.394 N/A ASN 98.A N LYS 94.A O no hydrogen 2.862 N/A ASN 98.A ND2 LYS 94.A O no hydrogen 2.750 N/A SER 99.A OG LYS 95.A O no hydrogen 2.863 N/A GLN 100.A N LEU 96.A O no hydrogen 3.015 N/A ILE 101.A N ILE 97.A O no hydrogen 2.947 N/A SER 102.A N ASN 98.A O no hydrogen 3.426 N/A SER 102.A OG GLU 62.A OE1 no hydrogen 3.214 N/A SER 102.A OG GLU 62.A OE2 no hydrogen 3.245 N/A SER 102.A OG ASN 98.A O no hydrogen 3.448 N/A LEU 103.A N SER 99.A O no hydrogen 3.331 N/A LEU 104.A N GLN 100.A O no hydrogen 3.327 N/A ILE 105.A N ILE 101.A O no hydrogen 2.783 N/A GLY 108.A N GLU 111.A OE2 no hydrogen 3.359 N/A LEU 109.A N SER 102.A OG no hydrogen 2.996 N/A HIS 110.A N GLU 62.A OE2 no hydrogen 3.499 N/A HIS 110.A ND1 GLU 62.A OE2 no hydrogen 2.808 N/A GLU 111.A N GLY 108.A O no hydrogen 2.993 N/A PHE 112.A N LEU 109.A O no hydrogen 3.041 N/A ASP 113.A N LEU 109.A O no hydrogen 3.441 N/A SER 114.A N HIS 110.A O no hydrogen 2.832 N/A SER 114.A OG HIS 110.A O no hydrogen 2.842 N/A CYS 116.A N ASP 113.A O no hydrogen 3.135 N/A CYS 116.A SG SER 114.A O no hydrogen 3.535 N/A GLU 119.A N ASP 117.A OD1 no hydrogen 3.141 N/A ASN 121.A N ASP 117.A O no hydrogen 3.220 N/A ASP 122.A N PRO 118.A O no hydrogen 2.763 N/A PHE 123.A N GLU 119.A O no hydrogen 3.086 N/A ARG 124.A N VAL 120.A O no hydrogen 3.084 N/A ARG 124.A NE GLU 576.A OE1 no hydrogen 2.805 N/A ARG 124.A NH1 ASP 113.A OD1 no hydrogen 3.222 N/A ARG 124.A NH2 GLU 576.A OE1 no hydrogen 3.233 N/A ARG 124.A NH2 GLU 576.A OE2 no hydrogen 3.066 N/A ALA 125.A N ASN 121.A O no hydrogen 3.138 N/A LYS 126.A N ASP 122.A O no hydrogen 2.927 N/A LYS 126.A NZ ASP 533.A OD2 no hydrogen 2.791 N/A MET 127.A N PHE 123.A O no hydrogen 2.814 N/A CYS 128.A N ARG 124.A O no hydrogen 2.986 N/A CYS 128.A SG ARG 124.A O no hydrogen 3.102 N/A CYS 128.A SG GLU 576.A OE2 no hydrogen 3.496 N/A GLN 129.A N ALA 125.A O no hydrogen 3.403 N/A PHE 130.A N LYS 126.A O no hydrogen 3.121 N/A CYS 131.A N MET 127.A O no hydrogen 3.090 N/A CYS 131.A SG MET 127.A O no hydrogen 3.157 N/A CYS 131.A SG ALA 577.A O no hydrogen 3.343 N/A GLU 132.A N CYS 128.A O no hydrogen 2.839 N/A GLU 133.A N GLN 129.A O no hydrogen 2.800 N/A ALA 134.A N PHE 130.A O no hydrogen 3.089 N/A ALA 135.A N CYS 131.A O no hydrogen 3.016 N/A ALA 136.A N GLU 132.A O no hydrogen 2.944 N/A ARG 137.A N GLU 133.A O no hydrogen 2.811 N/A ARG 138.A N ALA 134.A O no hydrogen 2.850 N/A ARG 138.A NH1 GLY 581.A O no hydrogen 2.789 N/A ARG 138.A NH2 LEU 545.A O no hydrogen 3.261 N/A ARG 138.A NH2 GLY 581.A O no hydrogen 2.804 N/A GLN 139.A N ALA 135.A O no hydrogen 3.165 N/A GLN 139.A NE2 ARG 245.A O no hydrogen 2.919 N/A GLN 140.A N ALA 136.A O no hydrogen 3.157 N/A LEU 141.A N ARG 137.A O no hydrogen 3.447 N/A TRP 146.A N GLY 142.A O no hydrogen 3.378 N/A LEU 147.A N TRP 143.A O no hydrogen 3.231 N/A GLN 148.A N GLU 144.A O no hydrogen 3.225 N/A TYR 149.A N ALA 145.A O no hydrogen 2.993 N/A SER 150.A N TRP 146.A O no hydrogen 2.961 N/A SER 150.A OG TRP 146.A O no hydrogen 2.840 N/A PHE 151.A N LEU 147.A O no hydrogen 2.934 N/A GLN 154.A NE2 ASP 643.A OD1 no hydrogen 3.458 N/A GLN 154.A NE2 SER 645.A OG no hydrogen 3.241 N/A GLU 156.A N GLN 217.A O no hydrogen 2.816 N/A LEU 163.A N VAL 180.A O no hydrogen 3.090 N/A VAL 165.A N PHE 178.A O no hydrogen 3.343 N/A ASN 166.A N PRO 231.A O no hydrogen 2.806 N/A PHE 176.A N VAL 167.A O no hydrogen 3.240 N/A THR 177.A OG1 ASN 166.A OD1 no hydrogen 2.768 N/A PHE 178.A N VAL 165.A O no hydrogen 3.198 N/A VAL 180.A N LEU 163.A O no hydrogen 2.970 N/A SER 181.A OG ASP 184.A OD2 no hydrogen 3.537 N/A THR 182.A N ARG 161.A O no hydrogen 3.158 N/A ASP 184.A N SER 181.A O no hydrogen 3.354 N/A ALA 188.A N VAL 185.A O no hydrogen 3.149 N/A LEU 189.A N VAL 185.A O no hydrogen 3.320 N/A MET 190.A N PRO 186.A O no hydrogen 3.167 N/A ALA 191.A N LEU 187.A O no hydrogen 3.197 N/A CYS 192.A N ALA 188.A O no hydrogen 2.946 N/A CYS 192.A SG ALA 188.A O no hydrogen 3.292 N/A ALA 193.A N MET 190.A O no hydrogen 3.105 N/A LEU 194.A N MET 190.A O no hydrogen 2.795 N/A ARG 195.A N ALA 191.A O no hydrogen 3.341 N/A THR 199.A OG1 ARG 195.A O no hydrogen 3.021 N/A LEU 200.A N LEU 209.A O no hydrogen 3.096 N/A VAL 202.A N GLU 207.A O no hydrogen 2.842 N/A ASN 203.A ND2 THR 234.A OG1 no hydrogen 2.810 N/A ARG 205.A NH1 ASP 643.A OD2 no hydrogen 3.410 N/A ARG 205.A NH2 GLN 154.A OE1 no hydrogen 3.297 N/A ARG 205.A NH2 ASP 643.A OD2 no hydrogen 3.206 N/A HIS 206.A N SER 645.A O no hydrogen 2.864 N/A TYR 210.A OH LEU 147.A O no hydrogen 3.429 N/A TYR 210.A OH PHE 151.A O no hydrogen 2.845 N/A LEU 215.A N ASP 184.A O no hydrogen 2.832 N/A CYS 216.A N THR 182.A O no hydrogen 3.092 N/A GLN 217.A N PRO 214.A O no hydrogen 2.926 N/A PHE 218.A N LEU 215.A O no hydrogen 3.386 N/A GLN 219.A N GLN 154.A O no hydrogen 3.042 N/A CYS 222.A N PHE 218.A O no hydrogen 3.140 N/A CYS 222.A SG CYS 216.A O no hydrogen 3.296 N/A SER 223.A N GLN 219.A O no hydrogen 3.140 N/A SER 223.A OG GLN 219.A O no hydrogen 3.257 N/A SER 223.A OG TYR 220.A O no hydrogen 2.719 N/A CYS 224.A N TYR 220.A O no hydrogen 2.986 N/A CYS 224.A SG TYR 220.A O no hydrogen 3.209 N/A LEU 225.A N ILE 221.A O no hydrogen 2.874 N/A HIS 226.A N CYS 222.A O no hydrogen 3.376 N/A HIS 226.A NE2 GLU 763.A OE2 no hydrogen 3.174 N/A SER 227.A N SER 223.A O no hydrogen 2.901 N/A HIS 232.A ND1 THR 230.A O no hydrogen 2.815 N/A THR 234.A N GLN 201.A O no hydrogen 2.963 N/A MET 235.A N LYS 168.A O no hydrogen 2.777 N/A SER 239.A OG HIS 237.A O no hydrogen 3.416 N/A SER 240.A N HIS 237.A O no hydrogen 3.249 N/A LEU 242.A N SER 238.A O no hydrogen 3.059 N/A MET 244.A N SER 240.A O no hydrogen 3.381 N/A ARG 245.A N ILE 241.A O no hydrogen 2.969 N/A ARG 245.A NE ASP 246.A OD2 no hydrogen 3.288 N/A ASP 246.A N LEU 242.A O no hydrogen 3.156 N/A PHE 254.A N ILE 310.A O no hydrogen 2.979 N/A ILE 256.A N LEU 306.A O no hydrogen 2.947 N/A GLU 257.A N CYS 392.A O no hydrogen 3.050 N/A LEU 258.A N GLN 304.A O no hydrogen 2.895 N/A ILE 259.A N LEU 390.A O no hydrogen 3.032 N/A GLN 260.A N LEU 390.A O no hydrogen 3.175 N/A GLN 260.A NE2 GLY 261.A O no hydrogen 3.086 N/A GLY 261.A N PRO 300.A O no hydrogen 2.851 N/A SER 262.A N ALA 388.A O no hydrogen 2.804 N/A LYS 263.A N GLU 299.A OE2 no hydrogen 3.305 N/A LYS 263.A NZ ASP 384.A O no hydrogen 3.140 N/A VAL 264.A N SER 298.A O no hydrogen 2.920 N/A MET 270.A N ASP 267.A O no hydrogen 3.325 N/A LYS 271.A N VAL 328.A O no hydrogen 2.814 N/A LEU 272.A N VAL 294.A O no hydrogen 2.776 N/A VAL 273.A N TYR 326.A O no hydrogen 2.870 N/A VAL 274.A N SER 291.A OG no hydrogen 3.115 N/A GLN 275.A N ALA 324.A O no hydrogen 3.095 N/A ALA 276.A N VAL 289.A O no hydrogen 3.084 N/A GLY 277.A N CYS 322.A O no hydrogen 3.302 N/A PHE 279.A N ARG 320.A O no hydrogen 2.831 N/A HIS 280.A N GLU 283.A O no hydrogen 3.216 N/A LEU 285.A N LEU 278.A O no hydrogen 2.882 N/A SER 290.A OG THR 288.A O no hydrogen 3.548 N/A SER 291.A N VAL 274.A O no hydrogen 3.133 N/A SER 291.A OG SER 292.A O no hydrogen 3.141 N/A SER 292.A N GLN 304.A OE1 no hydrogen 3.058 N/A CYS 297.A SG SER 295.A O no hydrogen 3.734 N/A TRP 302.A N ILE 259.A O no hydrogen 2.790 N/A TRP 302.A NE1 SER 292.A O no hydrogen 3.180 N/A LYS 303.A N ILE 259.A O no hydrogen 3.074 N/A GLN 304.A N LEU 258.A O no hydrogen 2.977 N/A ARG 305.A NH2 GLU 307.A OE1 no hydrogen 3.087 N/A LEU 306.A N ILE 256.A O no hydrogen 2.941 N/A PHE 308.A N PHE 254.A O no hydrogen 2.922 N/A ILE 310.A N PHE 308.A O no hydrogen 2.806 N/A ILE 312.A N GLN 252.A O no hydrogen 2.968 N/A CYS 313.A N LEU 250.A O no hydrogen 3.115 N/A CYS 313.A SG LEU 250.A O no hydrogen 3.498 N/A ASP 314.A N ASN 311.A O no hydrogen 2.757 N/A LEU 315.A N ILE 312.A O no hydrogen 3.314 N/A ARG 317.A NE ASP 348.A OD2 no hydrogen 3.089 N/A ARG 317.A NH1 ARG 317.A O no hydrogen 3.395 N/A ARG 317.A NH1 TYR 531.A OH no hydrogen 2.677 N/A ARG 317.A NH2 ASP 345.A O no hydrogen 3.194 N/A ALA 319.A N PRO 316.A O no hydrogen 3.378 N/A ARG 320.A N PHE 279.A O no hydrogen 2.724 N/A ARG 320.A NE PRO 373.A O no hydrogen 3.123 N/A ARG 320.A NH2 PRO 373.A O no hydrogen 2.955 N/A LEU 321.A N LEU 341.A O no hydrogen 2.796 N/A CYS 322.A N GLY 277.A O no hydrogen 3.102 N/A CYS 322.A SG ARG 320.A O no hydrogen 3.567 N/A PHE 323.A N ALA 339.A O no hydrogen 2.684 N/A ALA 324.A N GLN 275.A O no hydrogen 3.207 N/A LEU 325.A N ALA 337.A O no hydrogen 2.798 N/A TYR 326.A N VAL 273.A O no hydrogen 2.783 N/A ALA 327.A N CYS 334.A O no hydrogen 2.847 N/A VAL 328.A N LYS 271.A O no hydrogen 3.223 N/A CYS 334.A N ALA 327.A O no hydrogen 3.295 N/A ILE 336.A N LEU 325.A O no hydrogen 2.788 N/A ALA 337.A N LEU 325.A O no hydrogen 3.481 N/A TRP 338.A N TRP 360.A O no hydrogen 2.777 N/A ALA 339.A N PHE 323.A O no hydrogen 2.875 N/A ASN 340.A ND2 ASN 372.A O no hydrogen 2.994 N/A ASN 340.A ND2 GLY 375.A O no hydrogen 2.904 N/A LEU 341.A N LEU 321.A O no hydrogen 2.833 N/A LEU 343.A N ALA 319.A O no hydrogen 3.179 N/A ASP 345.A N GLN 349.A O no hydrogen 2.846 N/A TYR 346.A OH ASP 122.A OD2 no hydrogen 2.733 N/A ASP 348.A N ASP 345.A O no hydrogen 2.999 N/A GLN 349.A NE2 LEU 350.A O no hydrogen 2.904 N/A LEU 350.A N VAL 401.A O no hydrogen 2.910 N/A LYS 351.A N LEU 343.A O no hydrogen 2.820 N/A LYS 351.A NZ MET 342.A O no hydrogen 2.800 N/A GLY 353.A N LEU 393.A O no hydrogen 2.771 N/A ARG 355.A N ILE 391.A O no hydrogen 2.843 N/A ARG 355.A NH2 THR 352.A O no hydrogen 3.189 N/A LEU 357.A N LEU 389.A O no hydrogen 3.148 N/A MET 359.A N ALA 387.A O no hydrogen 2.819 N/A TRP 360.A N TRP 338.A O no hydrogen 2.836 N/A TRP 360.A NE1 ARG 378.A O no hydrogen 3.225 N/A SER 362.A N ILE 336.A O no hydrogen 3.231 N/A LYS 367.A N ASP 365.A OD2 no hydrogen 3.347 N/A THR 374.A OG1 ASN 372.A OD1 no hydrogen 3.211 N/A GLY 375.A N ASN 372.A O no hydrogen 3.387 N/A ARG 378.A N THR 376.A OG1 no hydrogen 3.114 N/A SER 379.A OG ASN 380.A O no hydrogen 3.126 N/A ASN 380.A N TYR 358.A O no hydrogen 3.049 N/A ASN 380.A ND2 MET 359.A O no hydrogen 2.841 N/A ASN 382.A N ASN 380.A OD1 no hydrogen 3.364 N/A SER 385.A N ASN 382.A OD1 no hydrogen 3.323 N/A SER 385.A OG ASP 384.A OD2 no hydrogen 3.313 N/A ALA 386.A N ASN 382.A O no hydrogen 3.005 N/A ALA 388.A N SER 262.A O no hydrogen 3.094 N/A LEU 389.A N LEU 357.A O no hydrogen 3.131 N/A LEU 390.A N GLN 260.A O no hydrogen 2.726 N/A ILE 391.A N ARG 355.A O no hydrogen 3.224 N/A CYS 392.A N GLU 257.A O no hydrogen 3.172 N/A CYS 392.A SG GLU 257.A OE1 no hydrogen 3.906 N/A CYS 392.A SG LEU 393.A O no hydrogen 3.604 N/A LEU 393.A N GLY 353.A O no hydrogen 3.153 N/A TYR 403.A N ASP 348.A O no hydrogen 3.094 N/A ILE 409.A N ALA 405.A O no hydrogen 2.875 N/A LEU 410.A N LEU 406.A O no hydrogen 2.822 N/A GLU 411.A N GLU 407.A O no hydrogen 3.289 N/A ARG 414.A N GLU 411.A O no hydrogen 3.319 N/A GLU 418.A N THR 415.A OG1 no hydrogen 3.126 N/A GLN 421.A N GLU 417.A O no hydrogen 3.452 N/A LEU 422.A N GLU 418.A O no hydrogen 2.861 N/A ARG 423.A NH1 GLU 427.A OE1 no hydrogen 3.328 N/A GLU 424.A N LEU 420.A O no hydrogen 3.179 N/A LEU 426.A N LEU 422.A O no hydrogen 2.882 N/A TYR 431.A N GLU 434.A OE1 no hydrogen 3.013 N/A LYS 435.A N TYR 431.A O no hydrogen 2.779 N/A ASP 436.A N GLU 432.A O no hydrogen 3.338 N/A VAL 438.A N GLU 434.A O no hydrogen 3.160 N/A TRP 439.A N LYS 435.A O no hydrogen 3.142 N/A LYS 440.A N ASP 436.A O no hydrogen 3.345 N/A LEU 441.A N LEU 437.A O no hydrogen 3.052 N/A ARG 442.A N TRP 439.A O no hydrogen 3.308 N/A ARG 442.A NH1 TRP 439.A O no hydrogen 3.236 N/A GLU 444.A N LEU 441.A O no hydrogen 2.998 N/A VAL 445.A N LEU 441.A O no hydrogen 3.054 N/A GLN 446.A N ARG 442.A O no hydrogen 3.228 N/A GLU 447.A N HIS 443.A O no hydrogen 3.252 N/A HIS 448.A N GLU 444.A O no hydrogen 2.815 N/A HIS 448.A NE2 GLU 444.A OE1 no hydrogen 3.014 N/A PHE 449.A N VAL 445.A O no hydrogen 2.734 N/A ALA 452.A N PHE 449.A O no hydrogen 3.020 N/A LEU 453.A N PRO 450.A O no hydrogen 3.206 N/A LEU 456.A N ALA 452.A O no hydrogen 3.101 N/A LEU 457.A N LEU 453.A O no hydrogen 2.767 N/A LEU 458.A N ALA 454.A O no hydrogen 3.313 N/A LEU 458.A N ARG 455.A O no hydrogen 3.046 N/A VAL 459.A N ARG 455.A O no hydrogen 3.180 N/A THR 460.A N LEU 456.A O no hydrogen 3.276 N/A THR 460.A OG1 LEU 456.A O no hydrogen 2.809 N/A THR 460.A OG1 LEU 457.A O no hydrogen 3.411 N/A TRP 462.A NE1 LEU 457.A O no hydrogen 2.798 N/A ASN 463.A ND2 LEU 285.A O no hydrogen 3.164 N/A LYS 464.A N LYS 461.A O no hydrogen 3.474 N/A HIS 465.A ND1 ASP 314.A OD1 no hydrogen 3.015 N/A VAL 468.A N LYS 464.A O no hydrogen 3.304 N/A ALA 469.A N HIS 465.A O no hydrogen 3.162 N/A GLN 470.A N GLU 466.A O no hydrogen 3.325 N/A MET 471.A N ASP 467.A O no hydrogen 3.121 N/A LEU 472.A N VAL 468.A O no hydrogen 3.033 N/A TYR 473.A N ALA 469.A O no hydrogen 2.977 N/A LEU 475.A N MET 471.A O no hydrogen 3.019 N/A CYS 476.A N LEU 472.A O no hydrogen 3.044 N/A CYS 476.A SG LEU 472.A O no hydrogen 3.299 N/A SER 477.A N LEU 474.A O no hydrogen 3.078 N/A SER 477.A OG TYR 473.A O no hydrogen 3.170 N/A SER 477.A OG LEU 474.A O no hydrogen 3.121 N/A TRP 478.A N LEU 475.A O no hydrogen 3.124 N/A TRP 478.A NE1 PRO 450.A O no hydrogen 2.987 N/A ALA 486.A N PRO 482.A O no hydrogen 3.164 N/A LEU 487.A N VAL 483.A O no hydrogen 2.983 N/A LEU 490.A N LEU 487.A O no hydrogen 3.169 N/A ASP 491.A N GLU 488.A O no hydrogen 3.275 N/A PHE 494.A N ASP 491.A O no hydrogen 2.988 N/A HIS 498.A N ASP 496.A OD2 no hydrogen 3.157 N/A HIS 498.A ND1 ASP 496.A OD2 no hydrogen 3.209 N/A VAL 499.A N ASP 496.A O no hydrogen 2.937 N/A GLY 500.A N ASP 496.A O no hydrogen 3.312 N/A SER 501.A N CYS 497.A O no hydrogen 3.118 N/A SER 501.A OG GLU 535.A OE1 no hydrogen 2.726 N/A PHE 502.A N HIS 498.A O no hydrogen 3.135 N/A ALA 503.A N VAL 499.A O no hydrogen 2.917 N/A ILE 504.A N GLY 500.A O no hydrogen 2.826 N/A LYS 505.A N SER 501.A O no hydrogen 3.014 N/A SER 506.A N PHE 502.A O no hydrogen 3.321 N/A SER 506.A N ALA 503.A O no hydrogen 3.186 N/A SER 506.A OG LEU 481.A O no hydrogen 3.299 N/A SER 506.A OG PHE 502.A O no hydrogen 3.369 N/A LEU 507.A N ALA 503.A O no hydrogen 3.092 N/A ARG 508.A N ILE 504.A O no hydrogen 3.088 N/A ARG 508.A NH2 GLU 535.A OE2 no hydrogen 3.269 N/A LEU 510.A N LEU 507.A O no hydrogen 3.176 N/A LEU 515.A N THR 511.A O no hydrogen 2.960 N/A PHE 516.A N ASP 512.A O no hydrogen 3.099 N/A TYR 518.A N LEU 515.A O no hydrogen 3.090 N/A LEU 519.A N PHE 516.A O no hydrogen 3.265 N/A GLN 521.A NE2 GLN 696.A OE1 no hydrogen 3.186 N/A LEU 522.A N TYR 518.A O no hydrogen 3.000 N/A VAL 523.A N LEU 519.A O no hydrogen 2.963 N/A GLN 524.A N LEU 520.A O no hydrogen 3.210 N/A VAL 525.A N GLN 521.A O no hydrogen 3.096 N/A LEU 526.A N VAL 523.A O no hydrogen 3.231 N/A LYS 527.A N GLN 524.A O no hydrogen 3.046 N/A LYS 527.A NZ GLN 524.A OE1 no hydrogen 3.407 N/A LYS 527.A NZ GLU 561.A OE1 no hydrogen 2.794 N/A TYR 528.A N VAL 525.A O no hydrogen 2.979 N/A GLU 529.A N LEU 526.A O no hydrogen 3.148 N/A TYR 531.A OH PHE 344.A O no hydrogen 2.669 N/A LEU 532.A N GLU 119.A OE2 no hydrogen 3.306 N/A CYS 534.A SG GLU 529.A OE1 no hydrogen 3.291 N/A CYS 534.A SG LEU 532.A O no hydrogen 3.942 N/A CYS 534.A SG THR 537.A OG1 no hydrogen 3.070 N/A LYS 538.A N CYS 534.A O no hydrogen 3.291 N/A PHE 539.A N GLU 535.A O no hydrogen 2.883 N/A LEU 540.A N LEU 536.A O no hydrogen 2.864 N/A LEU 541.A N THR 537.A O no hydrogen 2.874 N/A ASP 542.A N LYS 538.A O no hydrogen 2.811 N/A ARG 543.A N PHE 539.A O no hydrogen 3.035 N/A ARG 543.A NH1 LEU 510.A O no hydrogen 3.017 N/A ARG 543.A NH1 ASP 512.A OD1 no hydrogen 3.086 N/A ARG 543.A NH2 LEU 510.A O no hydrogen 2.706 N/A ALA 544.A N LEU 540.A O no hydrogen 3.070 N/A LEU 545.A N LEU 541.A O no hydrogen 3.054 N/A ALA 546.A N ARG 543.A O no hydrogen 3.315 N/A ASN 547.A N ARG 543.A O no hydrogen 3.076 N/A ASN 547.A ND2 ASP 512.A OD2 no hydrogen 2.776 N/A ARG 548.A N TYR 149.A O no hydrogen 2.853 N/A ILE 550.A N ASN 547.A OD1 no hydrogen 3.185 N/A GLY 551.A N ASN 547.A O no hydrogen 3.090 N/A HIS 552.A N ARG 548.A O no hydrogen 2.753 N/A HIS 552.A ND1 HIS 585.A NE2 no hydrogen 3.212 N/A HIS 552.A NE2 PRO 641.A O no hydrogen 2.668 N/A PHE 553.A N LYS 549.A O no hydrogen 3.102 N/A LEU 554.A N ILE 550.A O no hydrogen 2.779 N/A PHE 555.A N GLY 551.A O no hydrogen 2.913 N/A TRP 556.A N HIS 552.A O no hydrogen 3.220 N/A TRP 556.A NE1 GLN 592.A OE1 no hydrogen 2.869 N/A HIS 557.A N PHE 553.A O no hydrogen 2.906 N/A LEU 558.A N LEU 554.A O no hydrogen 3.045 N/A ARG 559.A N PHE 555.A O no hydrogen 2.814 N/A ARG 559.A NE LEU 104.A O no hydrogen 2.680 N/A ARG 559.A NH2 LEU 104.A O no hydrogen 3.475 N/A SER 560.A N TRP 556.A O no hydrogen 3.256 N/A SER 560.A OG TRP 556.A O no hydrogen 2.923 N/A SER 560.A OG HIS 557.A O no hydrogen 3.319 N/A GLU 561.A N LEU 558.A O no hydrogen 3.282 N/A MET 562.A N ARG 559.A O no hydrogen 2.980 N/A HIS 563.A NE2 SER 560.A O no hydrogen 3.001 N/A VAL 564.A N GLU 561.A O no hydrogen 2.914 N/A VAL 567.A N VAL 564.A O no hydrogen 3.131 N/A ALA 568.A N VAL 564.A O no hydrogen 3.040 N/A ARG 570.A NH1 TYR 531.A O no hydrogen 2.944 N/A ARG 570.A NH2 TYR 531.A O no hydrogen 2.988 N/A PHE 571.A N VAL 567.A O no hydrogen 2.738 N/A GLY 572.A N ALA 568.A O no hydrogen 3.085 N/A LEU 573.A N LEU 569.A O no hydrogen 3.026 N/A ILE 574.A N ARG 570.A O no hydrogen 3.202 N/A LEU 575.A N PHE 571.A O no hydrogen 3.013 N/A GLU 576.A N GLY 572.A O no hydrogen 3.104 N/A ALA 577.A N LEU 573.A O no hydrogen 3.319 N/A TYR 578.A N ILE 574.A O no hydrogen 2.826 N/A CYS 579.A N LEU 575.A O no hydrogen 2.840 N/A CYS 579.A SG LEU 575.A O no hydrogen 3.203 N/A ARG 580.A N GLU 576.A O no hydrogen 2.930 N/A ARG 580.A NE GLU 576.A OE2 no hydrogen 3.244 N/A ARG 580.A NH2 ASN 98.A OD1 no hydrogen 2.806 N/A ARG 580.A NH2 GLU 576.A OE2 no hydrogen 2.956 N/A SER 582.A N CYS 579.A O no hydrogen 3.160 N/A SER 582.A OG TYR 578.A O no hydrogen 2.760 N/A HIS 584.A NE2 ARG 245.A O no hydrogen 2.751 N/A HIS 585.A NE2 HIS 552.A ND1 no hydrogen 3.212 N/A MET 586.A N SER 582.A O no hydrogen 2.857 N/A LYS 587.A N HIS 584.A O no hydrogen 2.993 N/A LEU 589.A N HIS 585.A O no hydrogen 2.814 N/A MET 590.A N MET 586.A O no hydrogen 3.211 N/A LYS 591.A N LYS 587.A O no hydrogen 3.246 N/A GLN 592.A N VAL 588.A O no hydrogen 3.121 N/A GLN 592.A NE2 GLN 639.A O no hydrogen 3.080 N/A GLY 593.A N LEU 589.A O no hydrogen 3.024 N/A GLU 594.A N MET 590.A O no hydrogen 3.095 N/A ALA 595.A N LYS 591.A O no hydrogen 3.496 N/A LEU 596.A N GLN 592.A O no hydrogen 2.962 N/A SER 597.A N GLY 593.A O no hydrogen 3.104 N/A LYS 598.A N GLU 594.A O no hydrogen 3.082 N/A LYS 598.A NZ ASP 75.A OD1 no hydrogen 3.509 N/A LEU 599.A N ALA 595.A O no hydrogen 3.065 N/A LYS 600.A N LEU 596.A O no hydrogen 3.146 N/A LYS 600.A NZ ASP 604.A OD1 no hydrogen 3.038 N/A LYS 600.A NZ ASP 604.A OD2 no hydrogen 2.838 N/A LEU 602.A N LYS 598.A O no hydrogen 2.795 N/A ASN 603.A N LEU 599.A O no hydrogen 2.735 N/A ASP 604.A N LYS 600.A O no hydrogen 2.748 N/A PHE 605.A N ALA 601.A O no hydrogen 3.027 N/A VAL 606.A N LEU 602.A O no hydrogen 3.166 N/A LYS 607.A N ASN 603.A O no hydrogen 2.815 N/A LYS 607.A NZ ASN 684.A O no hydrogen 3.359 N/A LYS 607.A NZ ASN 684.A OD1 no hydrogen 3.210 N/A SER 609.A N PHE 605.A O no hydrogen 2.762 N/A GLN 611.A N LEU 608.A O no hydrogen 3.050 N/A THR 613.A OG1 SER 609.A O no hydrogen 3.356 N/A THR 618.A N PRO 614.A O no hydrogen 3.089 N/A THR 618.A OG1 SER 609.A O no hydrogen 2.733 N/A THR 618.A OG1 PRO 614.A O no hydrogen 2.797 N/A LYS 619.A N LYS 615.A O no hydrogen 3.062 N/A GLU 620.A N PRO 616.A O no hydrogen 3.257 N/A LEU 621.A N GLN 617.A O no hydrogen 3.046 N/A MET 622.A N THR 618.A O no hydrogen 2.810 N/A HIS 623.A N LYS 619.A O no hydrogen 3.067 N/A HIS 623.A ND1 GLU 620.A OE2 no hydrogen 3.106 N/A HIS 623.A NE2 CYS 656.A O no hydrogen 2.775 N/A LEU 624.A N GLU 620.A O no hydrogen 3.177 N/A MET 626.A N MET 622.A O no hydrogen 3.020 N/A ARG 627.A N HIS 623.A O no hydrogen 2.912 N/A ARG 627.A N LEU 624.A O no hydrogen 3.218 N/A ARG 627.A NH2 GLU 654.A OE2 no hydrogen 3.246 N/A TYR 631.A N GLN 628.A O no hydrogen 2.935 N/A LEU 632.A N GLN 628.A O no hydrogen 2.807 N/A GLU 633.A N GLU 629.A O no hydrogen 3.115 N/A LEU 635.A N TYR 631.A O no hydrogen 2.917 N/A SER 636.A OG LEU 632.A O no hydrogen 3.128 N/A HIS 637.A N ALA 649.A O no hydrogen 2.811 N/A LEU 638.A N LEU 648.A O no hydrogen 2.920 N/A SER 640.A N THR 646.A O no hydrogen 2.810 N/A SER 645.A OG GLN 154.A OE1 no hydrogen 3.343 N/A SER 645.A OG ASP 643.A OD1 no hydrogen 2.886 N/A SER 645.A OG ASP 643.A OD2 no hydrogen 3.007 N/A THR 646.A N ASP 643.A O no hydrogen 3.084 N/A THR 646.A OG1 ASP 643.A OD2 no hydrogen 2.701 N/A LEU 648.A N LEU 638.A O no hydrogen 2.854 N/A GLU 650.A N SER 671.A O no hydrogen 3.101 N/A CYS 652.A N MET 669.A O no hydrogen 2.936 N/A CYS 652.A SG GLU 650.A O no hydrogen 3.913 N/A CYS 652.A SG SER 671.A OG no hydrogen 3.084 N/A CYS 656.A N CYS 652.A O no hydrogen 2.923 N/A CYS 656.A SG CYS 652.A O no hydrogen 3.219 N/A THR 657.A N TRP 667.A O no hydrogen 2.866 N/A THR 657.A OG1 GLN 655.A O no hydrogen 3.129 N/A MET 659.A N PRO 665.A O no hydrogen 2.801 N/A LYS 664.A N SER 661.A O no hydrogen 3.029 N/A LEU 666.A N PHE 682.A O no hydrogen 2.965 N/A TRP 667.A N THR 657.A O no hydrogen 2.869 N/A ILE 668.A N ILE 680.A O no hydrogen 2.969 N/A TYR 670.A N VAL 678.A O no hydrogen 2.805 N/A TYR 670.A OH LEU 635.A O no hydrogen 2.796 N/A SER 671.A N GLU 650.A O no hydrogen 2.947 N/A SER 671.A OG GLU 650.A O no hydrogen 3.274 N/A ASN 672.A ND2 LEU 647.A O no hydrogen 3.403 N/A GLU 674.A N ASN 672.A OD1 no hydrogen 3.158 N/A ILE 680.A N ILE 668.A O no hydrogen 2.930 N/A ILE 681.A N ILE 729.A O no hydrogen 2.849 N/A PHE 682.A N LEU 666.A O no hydrogen 2.905 N/A LYS 683.A N GLY 727.A O no hydrogen 3.196 N/A LYS 683.A NZ ASP 686.A OD1 no hydrogen 3.094 N/A LYS 683.A NZ ASP 686.A OD2 no hydrogen 3.560 N/A LYS 683.A NZ ASP 800.A OD2 no hydrogen 3.189 N/A ASN 684.A ND2 ARG 725.A O no hydrogen 3.325 N/A ASN 684.A ND2 THR 726.A OG1 no hydrogen 3.046 N/A GLY 685.A N ARG 725.A O no hydrogen 2.841 N/A ARG 689.A N ASP 687.A OD1 no hydrogen 3.415 N/A ARG 689.A NE ASP 687.A OD1 no hydrogen 3.268 N/A ARG 689.A NH1 ALA 866.A O no hydrogen 2.967 N/A GLN 690.A NE2 GLY 802.A O no hydrogen 2.984 N/A MET 692.A N LEU 688.A O no hydrogen 3.107 N/A LEU 693.A N ARG 689.A O no hydrogen 2.804 N/A THR 694.A N GLN 690.A O no hydrogen 2.928 N/A THR 694.A OG1 GLN 690.A O no hydrogen 2.709 N/A LEU 695.A N ASP 691.A O no hydrogen 3.011 N/A GLN 696.A N MET 692.A O no hydrogen 2.941 N/A MET 697.A N LEU 693.A O no hydrogen 2.954 N/A ILE 698.A N THR 694.A O no hydrogen 2.912 N/A GLN 699.A N LEU 695.A O no hydrogen 2.853 N/A LEU 700.A N GLN 696.A O no hydrogen 2.966 N/A MET 701.A N MET 697.A O no hydrogen 3.027 N/A ASP 702.A N ILE 698.A O no hydrogen 2.901 N/A VAL 703.A N GLN 699.A O no hydrogen 2.909 N/A LEU 704.A N LEU 700.A O no hydrogen 2.802 N/A TRP 705.A N MET 701.A O no hydrogen 2.782 N/A TRP 705.A NE1 ALA 845.A O no hydrogen 2.848 N/A LYS 706.A N ASP 702.A O no hydrogen 2.979 N/A LYS 706.A NZ GLU 156.A OE1 no hydrogen 3.081 N/A LYS 706.A NZ ASP 702.A OD2 no hydrogen 3.234 N/A GLN 707.A N VAL 703.A O no hydrogen 2.820 N/A GLU 708.A N TRP 705.A O no hydrogen 2.785 N/A GLY 709.A N LYS 706.A O no hydrogen 3.156 N/A LEU 710.A N TRP 705.A O no hydrogen 3.121 N/A ARG 713.A N ASP 711.A OD1 no hydrogen 3.063 N/A ARG 713.A NE HIS 226.A NE2 no hydrogen 3.293 N/A ARG 713.A NE GLU 763.A OE1 no hydrogen 3.397 N/A ARG 713.A NE GLU 763.A OE2 no hydrogen 3.300 N/A ARG 713.A NH1 ASP 711.A OD1 no hydrogen 2.859 N/A THR 715.A N TYR 771.A OH no hydrogen 2.793 N/A TYR 717.A N THR 715.A O no hydrogen 3.028 N/A GLY 718.A N GLU 730.A OE1 no hydrogen 3.373 N/A CYS 719.A SG LEU 688.A O no hydrogen 3.512 N/A LEU 720.A N LEU 728.A O no hydrogen 2.810 N/A THR 722.A N THR 726.A O no hydrogen 3.024 N/A GLY 723.A N THR 726.A O no hydrogen 3.317 N/A THR 726.A N GLY 723.A O no hydrogen 2.902 N/A THR 726.A OG1 ASP 724.A O no hydrogen 2.727 N/A GLY 727.A N LYS 683.A O no hydrogen 3.075 N/A LEU 728.A N LEU 720.A O no hydrogen 2.982 N/A ILE 729.A N ILE 681.A O no hydrogen 3.055 N/A GLU 730.A N GLY 718.A O no hydrogen 2.796 N/A VAL 731.A N GLY 679.A O no hydrogen 3.269 N/A SER 735.A OG VAL 732.A O no hydrogen 2.828 N/A ASP 736.A N ILE 790.A O no hydrogen 3.107 N/A ILE 738.A N ILE 788.A O no hydrogen 2.963 N/A ALA 739.A N SER 785.A O no hydrogen 3.032 N/A ASN 740.A N THR 737.A OG1 no hydrogen 3.248 N/A ILE 741.A N THR 737.A O no hydrogen 2.967 N/A GLN 742.A N ILE 738.A O no hydrogen 3.003 N/A LEU 748.A N LEU 744.A O no hydrogen 3.269 N/A LYS 749.A N LEU 745.A O no hydrogen 3.053 N/A SER 750.A N ASN 746.A O no hydrogen 3.016 N/A SER 750.A OG ASN 746.A O no hydrogen 3.041 N/A SER 750.A OG TRP 747.A O no hydrogen 3.112 N/A LYS 751.A N LEU 748.A O no hydrogen 3.423 N/A ASN 752.A N LYS 749.A O no hydrogen 3.427 N/A ASN 752.A ND2 LEU 748.A O no hydrogen 3.565 N/A ASN 752.A ND2 GLU 792.A O no hydrogen 2.749 N/A ARG 759.A N ALA 756.A O no hydrogen 3.264 N/A ALA 760.A N ALA 756.A O no hydrogen 3.165 N/A ILE 761.A N LEU 757.A O no hydrogen 3.091 N/A GLU 762.A N ASP 758.A O no hydrogen 3.407 N/A GLU 763.A N ARG 759.A O no hydrogen 3.049 N/A PHE 764.A N ALA 760.A O no hydrogen 2.785 N/A THR 765.A N ILE 761.A O no hydrogen 2.954 N/A THR 765.A OG1 ILE 761.A O no hydrogen 3.079 N/A LEU 766.A N GLU 762.A O no hydrogen 2.917 N/A SER 767.A N GLU 763.A O no hydrogen 2.908 N/A SER 767.A OG GLU 763.A O no hydrogen 2.732 N/A SER 767.A OG PHE 764.A O no hydrogen 3.324 N/A CYS 768.A N PHE 764.A O no hydrogen 2.812 N/A ALA 769.A N THR 765.A O no hydrogen 3.219 N/A GLY 770.A N LEU 766.A O no hydrogen 3.423 N/A TYR 771.A N SER 767.A O no hydrogen 3.007 N/A CYS 772.A N CYS 768.A O no hydrogen 2.809 N/A CYS 772.A N ALA 769.A O no hydrogen 3.191 N/A CYS 772.A SG CYS 768.A O no hydrogen 3.313 N/A CYS 772.A SG ILE 815.A O no hydrogen 3.408 N/A VAL 773.A N ALA 769.A O no hydrogen 2.882 N/A ALA 774.A N GLY 770.A O no hydrogen 2.799 N/A THR 775.A N TYR 771.A O no hydrogen 3.162 N/A THR 775.A OG1 TYR 771.A O no hydrogen 2.673 N/A THR 775.A OG1 CYS 772.A O no hydrogen 3.383 N/A TYR 776.A N CYS 772.A O no hydrogen 3.221 N/A VAL 777.A N VAL 773.A O no hydrogen 3.031 N/A LEU 778.A N ALA 774.A O no hydrogen 3.045 N/A GLY 779.A N TYR 776.A O no hydrogen 3.224 N/A ILE 780.A N THR 775.A O no hydrogen 2.832 N/A ARG 783.A NE HIS 798.A ND1 no hydrogen 2.899 N/A ARG 783.A NH1 ASP 800.A O no hydrogen 3.527 N/A ARG 783.A NH2 HIS 798.A ND1 no hydrogen 3.403 N/A ARG 783.A NH2 ILE 799.A O no hydrogen 2.803 N/A HIS 784.A N ASN 787.A OD1 no hydrogen 3.020 N/A ASN 787.A N HIS 784.A O no hydrogen 3.122 N/A ASN 787.A ND2 ASP 782.A O no hydrogen 3.035 N/A MET 789.A N PHE 797.A O no hydrogen 2.797 N/A ILE 790.A N ASP 736.A O no hydrogen 2.909 N/A ARG 791.A N GLN 795.A O no hydrogen 2.782 N/A GLU 792.A N ARG 734.A O no hydrogen 2.978 N/A GLY 794.A N ARG 791.A O no hydrogen 2.807 N/A LEU 796.A N SER 767.A OG no hydrogen 2.810 N/A PHE 797.A N MET 789.A O no hydrogen 2.817 N/A ILE 799.A N ASN 787.A O no hydrogen 2.976 N/A PHE 801.A N ASP 691.A OD2 no hydrogen 3.166 N/A PHE 804.A N GLU 870.A OE1 no hydrogen 2.798 N/A GLY 806.A N GLY 779.A O no hydrogen 2.981 N/A ASN 807.A ND2 ASP 876.A OD1 no hydrogen 3.327 N/A VAL 812.A N TYR 879.A OH no hydrogen 2.959 N/A PHE 820.A N THR 817.A O no hydrogen 3.080 N/A VAL 821.A N THR 817.A O no hydrogen 3.006 N/A HIS 822.A N TYR 818.A O no hydrogen 2.847 N/A VAL 823.A N ASP 819.A O no hydrogen 3.226 N/A ILE 824.A N PHE 820.A O no hydrogen 2.847 N/A GLN 825.A N VAL 821.A O no hydrogen 2.874 N/A GLN 826.A N VAL 823.A O no hydrogen 2.987 N/A GLY 827.A N HIS 822.A O no hydrogen 3.232 N/A LYS 828.A N GLN 825.A O no hydrogen 3.250 N/A ASN 831.A ND2 GLN 825.A O no hydrogen 2.865 N/A PHE 835.A N ASN 831.A O no hydrogen 2.926 N/A GLU 836.A N SER 832.A O no hydrogen 2.979 N/A ARG 837.A N LYS 834.A O no hydrogen 3.094 N/A PHE 838.A N LYS 834.A O no hydrogen 3.172 N/A ARG 839.A N PHE 835.A O no hydrogen 3.056 N/A ARG 839.A NH1 ASN 902.A OD1 no hydrogen 3.067 N/A ARG 839.A NH2 GLU 836.A OE1 no hydrogen 3.441 N/A GLY 840.A N GLU 836.A O no hydrogen 3.130 N/A TYR 841.A N ARG 837.A O no hydrogen 3.126 N/A TYR 841.A OH GLU 762.A OE2 no hydrogen 2.689 N/A CYS 842.A N PHE 838.A O no hydrogen 3.178 N/A CYS 842.A SG PHE 838.A O no hydrogen 3.497 N/A GLU 843.A N ARG 839.A O no hydrogen 2.977 N/A ARG 844.A N GLY 840.A O no hydrogen 2.812 N/A ALA 845.A N TYR 841.A O no hydrogen 2.850 N/A TYR 846.A N CYS 842.A O no hydrogen 3.046 N/A TYR 846.A OH SER 883.A O no hydrogen 2.728 N/A THR 847.A N GLU 843.A O no hydrogen 3.147 N/A THR 847.A OG1 GLU 843.A O no hydrogen 2.676 N/A ILE 848.A N ARG 844.A O no hydrogen 3.042 N/A LEU 849.A N ALA 845.A O no hydrogen 3.206 N/A ARG 850.A N TYR 846.A O no hydrogen 3.118 N/A ARG 850.A NE LEU 884.A O no hydrogen 2.856 N/A ARG 850.A NE ALA 885.A O no hydrogen 3.429 N/A ARG 850.A NH2 ALA 885.A O no hydrogen 3.031 N/A ARG 851.A N THR 847.A O no hydrogen 3.262 N/A ARG 851.A NE GLU 890.A OE2 no hydrogen 3.460 N/A HIS 852.A N LEU 849.A O no hydrogen 3.238 N/A HIS 852.A ND1 ILE 848.A O no hydrogen 3.222 N/A GLY 853.A N ARG 850.A O no hydrogen 3.134 N/A LEU 855.A N HIS 852.A O no hydrogen 3.041 N/A LEU 857.A N GLY 853.A O no hydrogen 3.076 N/A HIS 858.A N LEU 854.A O no hydrogen 2.923 N/A LEU 859.A N LEU 855.A O no hydrogen 2.896 N/A PHE 860.A N PHE 856.A O no hydrogen 2.944 N/A ALA 861.A N LEU 857.A O no hydrogen 2.782 N/A LEU 862.A N HIS 858.A O no hydrogen 3.103 N/A MET 863.A N LEU 859.A O no hydrogen 3.048 N/A ARG 864.A N ALA 861.A O no hydrogen 3.462 N/A ALA 865.A N LEU 862.A O no hydrogen 3.340 N/A ALA 866.A N MET 863.A O no hydrogen 3.193 N/A LEU 871.A N LEU 868.A O no hydrogen 3.165 N/A SER 872.A N ASP 876.A OD2 no hydrogen 2.787 N/A SER 872.A OG PRO 869.A O no hydrogen 3.396 N/A CYS 873.A N ASP 876.A OD2 no hydrogen 3.083 N/A CYS 873.A SG ASP 876.A OD2 no hydrogen 3.400 N/A GLN 878.A N SER 874.A O no hydrogen 2.791 N/A GLN 878.A NE2 ASP 882.A OD1 no hydrogen 3.253 N/A TYR 879.A N LYS 875.A O no hydrogen 3.020 N/A LEU 880.A N ILE 877.A O no hydrogen 3.151 N/A ASP 882.A N GLN 878.A O no hydrogen 3.157 N/A SER 883.A N TYR 879.A O no hydrogen 2.832 N/A SER 883.A OG VAL 777.A O no hydrogen 2.920 N/A SER 883.A OG LEU 880.A O no hydrogen 3.559 N/A LEU 884.A N LEU 880.A O no hydrogen 2.928 N/A ALA 885.A N ASP 882.A O no hydrogen 3.049 N/A LEU 886.A N LYS 881.A O no hydrogen 2.810 N/A THR 889.A N GLU 892.A OE1 no hydrogen 3.475 N/A THR 889.A OG1 GLU 892.A OE1 no hydrogen 3.436 N/A GLU 892.A N THR 889.A OG1 no hydrogen 3.330 N/A ALA 893.A N THR 889.A O no hydrogen 2.809 N/A LEU 894.A N GLU 890.A O no hydrogen 2.955 N/A LYS 895.A N GLU 891.A O no hydrogen 3.183 N/A HIS 896.A N GLU 892.A O no hydrogen 3.368 N/A PHE 897.A N ALA 893.A O no hydrogen 2.846 N/A ARG 898.A N LEU 894.A O no hydrogen 2.949 N/A ARG 898.A NE GLU 843.A OE2 no hydrogen 3.234 N/A VAL 899.A N LYS 895.A O no hydrogen 3.054 N/A LYS 900.A N HIS 896.A O no hydrogen 2.926 N/A PHE 901.A N PHE 897.A O no hydrogen 2.737 N/A ASN 902.A N ARG 898.A O no hydrogen 2.810 N/A GLU 903.A N VAL 899.A O no hydrogen 3.084 N/A ALA 904.A N LYS 900.A O no hydrogen 2.981 N/A LEU 905.A N PHE 901.A O no hydrogen 3.099 N/A ARG 906.A N ASN 902.A O no hydrogen 3.041 N/A GLU 907.A N GLU 903.A O no hydrogen 3.000 N/A SER 908.A N ALA 904.A O no hydrogen 3.147 N/A SER 908.A OG LEU 816.A O no hydrogen 2.949 N/A