Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8gub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N CYS 18.A O no hydrogen 2.061 N/A ARG 1.A NH2 GLU 21.A OE1 no hydrogen 2.801 N/A ILE 2.A N CYS 18.A O no hydrogen 2.820 N/A VAL 4.A N LEU 16.A O no hydrogen 2.772 N/A GLU 5.A N PRO 79.A O no hydrogen 3.092 N/A CYS 6.A N VAL 14.A O no hydrogen 2.848 N/A LEU 7.A N LEU 81.A O no hydrogen 2.853 N/A LEU 8.A N MET 12.A O no hydrogen 3.154 N/A ASN 10.A ND2 LEU 40.A O no hydrogen 2.415 N/A GLY 11.A N LEU 8.A O no hydrogen 3.248 N/A VAL 14.A N CYS 6.A O no hydrogen 2.934 N/A LEU 16.A N VAL 4.A O no hydrogen 2.843 N/A CYS 18.A N ILE 2.A O no hydrogen 2.945 N/A ALA 22.A N LEU 19.A O no hydrogen 2.564 N/A LEU 24.A N GLU 67.A O no hydrogen 3.142 N/A LEU 24.A N ARG 69.A O no hydrogen 2.930 N/A THR 26.A N THR 23.A OG1 no hydrogen 3.282 N/A ILE 27.A N THR 23.A O no hydrogen 3.107 N/A LYS 28.A N LEU 24.A O no hydrogen 2.626 N/A HIS 29.A N ILE 25.A O no hydrogen 2.724 N/A GLU 30.A N THR 26.A O no hydrogen 2.709 N/A LEU 31.A N ILE 27.A O no hydrogen 2.719 N/A LYS 33.A NZ HIS 29.A O no hydrogen 2.141 N/A LYS 33.A NZ GLU 47.A OE2 no hydrogen 3.510 N/A GLU 34.A N LEU 31.A O no hydrogen 2.702 N/A ALA 35.A N LEU 31.A O no hydrogen 3.195 N/A ALA 35.A N PHE 32.A O no hydrogen 2.649 N/A ARG 36.A N PHE 32.A O no hydrogen 3.242 N/A LYS 37.A NZ LYS 33.A O no hydrogen 3.060 N/A LYS 37.A NZ GLU 34.A O no hydrogen 3.448 N/A TYR 38.A N ALA 35.A O no hydrogen 3.195 N/A HIS 41.A N TYR 38.A O no hydrogen 3.331 N/A HIS 41.A ND1 TYR 38.A O no hydrogen 2.805 N/A GLN 42.A N GLN 42.A OE1 no hydrogen 2.557 N/A LEU 44.A N HIS 41.A O no hydrogen 2.885 N/A SER 49.A OG SER 48.A O no hydrogen 2.173 N/A ILE 51.A N ILE 84.A O no hydrogen 2.772 N/A SER 54.A OG VAL 55.A O no hydrogen 3.462 N/A SER 54.A OG PHE 80.A O no hydrogen 3.315 N/A THR 56.A N GLU 60.A O no hydrogen 3.402 N/A GLN 57.A N ARG 75.A O no hydrogen 3.102 N/A ALA 59.A N THR 56.A O no hydrogen 2.507 N/A PHE 64.A N PHE 52.A O no hydrogen 3.390 N/A PHE 65.A N GLU 63.A O no hydrogen 3.157 N/A GLU 67.A N GLU 67.A OE1 no hydrogen 3.036 N/A ARG 69.A N ASP 66.A O no hydrogen 3.385 N/A LEU 71.A N ALA 22.A O no hydrogen 2.913 N/A CYS 72.A N ARG 20.A O no hydrogen 2.971 N/A CYS 72.A SG ARG 20.A O no hydrogen 3.047 N/A LEU 74.A N LEU 71.A O no hydrogen 2.825 N/A PHE 77.A N VAL 55.A O no hydrogen 2.699 N/A PHE 80.A N GLN 78.A O no hydrogen 2.697 N/A LEU 81.A N GLU 5.A O no hydrogen 2.764 N/A LYS 82.A N VAL 53.A O no hydrogen 2.953 N/A VAL 83.A N LEU 7.A O no hydrogen 3.356 N/A ILE 84.A N ILE 51.A O no hydrogen 3.111 N/A ARG 90.A NH1 GLU 67.A OE1 no hydrogen 3.377 N/A GLU 91.A N GLU 91.A OE1 no hydrogen 2.333 N/A LYS 93.A N ASN 89.A O no hydrogen 2.953 N/A ILE 94.A N ARG 90.A O no hydrogen 2.992 N/A LEU 95.A N GLU 91.A O no hydrogen 3.175 N/A ASN 96.A N GLU 92.A O no hydrogen 3.147 N/A ARG 97.A N LYS 93.A O no hydrogen 3.291 N/A GLU 98.A N ILE 94.A O no hydrogen 3.212 N/A ILE 99.A N LEU 95.A O no hydrogen 2.859 N/A GLY 100.A N ASN 96.A O no hydrogen 2.930 N/A PHE 101.A N ARG 97.A O no hydrogen 2.982 N/A ALA 102.A N GLU 98.A O no hydrogen 3.228 N/A ILE 103.A N ILE 99.A O no hydrogen 3.055 N/A GLY 104.A N GLY 100.A O no hydrogen 3.032 N/A CYS 108.A SG GLU 60.A OE2 no hydrogen 3.293 N/A GLU 109.A N PRO 106.A O no hydrogen 3.138 N/A PHE 110.A N VAL 107.A O no hydrogen 3.259 N/A ASP 111.A N CYS 108.A O no hydrogen 3.024 N/A MET 112.A N CYS 108.A O no hydrogen 3.318 N/A MET 112.A N GLU 109.A O no hydrogen 2.957 N/A VAL 113.A N GLU 109.A O no hydrogen 3.366 N/A LYS 114.A NZ MET 112.A O no hydrogen 2.581 N/A GLU 117.A N ASP 115.A OD1 no hydrogen 3.190 N/A GLN 119.A N ASP 115.A O no hydrogen 3.222 N/A GLN 119.A NE2 PHE 110.A O no hydrogen 2.926 N/A GLN 119.A NE2 VAL 113.A O no hydrogen 2.620 N/A ASP 120.A N PRO 116.A O no hydrogen 2.935 N/A PHE 121.A N GLU 117.A O no hydrogen 3.051 N/A ARG 122.A N VAL 118.A O no hydrogen 3.202 N/A ARG 122.A NE GLU 622.A OE1 no hydrogen 3.401 N/A ARG 122.A NH1 ASP 111.A OD1 no hydrogen 2.897 N/A ARG 122.A NH2 GLU 622.A OE2 no hydrogen 2.924 N/A ARG 123.A N GLN 119.A O no hydrogen 3.315 N/A ASN 124.A N ASP 120.A O no hydrogen 2.792 N/A ILE 125.A N PHE 121.A O no hydrogen 2.981 N/A VAL 128.A N ILE 125.A O no hydrogen 2.606 N/A CYS 129.A N ILE 125.A O no hydrogen 3.288 N/A CYS 129.A SG SER 623.A O no hydrogen 3.129 N/A LYS 130.A N LEU 126.A O no hydrogen 2.862 N/A LYS 130.A NZ ASP 134.A OD2 no hydrogen 2.320 N/A GLU 131.A N ASN 127.A O no hydrogen 3.282 N/A ALA 132.A N VAL 128.A O no hydrogen 3.178 N/A VAL 133.A N CYS 129.A O no hydrogen 3.010 N/A ASP 134.A N LYS 130.A O no hydrogen 2.837 N/A LEU 135.A N GLU 131.A O no hydrogen 2.877 N/A ARG 136.A N ALA 132.A O no hydrogen 3.008 N/A ARG 136.A NH1 ASP 265.A OD2 no hydrogen 3.294 N/A ARG 136.A NH1 CYS 628.A O no hydrogen 3.050 N/A ASP 137.A N ASP 134.A O no hydrogen 3.145 N/A LEU 138.A N LEU 135.A O no hydrogen 3.010 N/A SER 140.A OG ASP 137.A OD1 no hydrogen 2.378 N/A SER 143.A N ASN 139.A O no hydrogen 2.338 N/A SER 143.A OG ASN 139.A O no hydrogen 2.787 N/A ARG 144.A NH2 LEU 262.A O no hydrogen 2.890 N/A ALA 145.A N PRO 141.A O no hydrogen 3.097 N/A ALA 145.A N HIS 142.A O no hydrogen 2.786 N/A MET 146.A N HIS 142.A O no hydrogen 3.231 N/A TYR 147.A N SER 143.A O no hydrogen 3.391 N/A TYR 147.A OH CYS 628.A O no hydrogen 2.634 N/A TYR 149.A N ALA 145.A O no hydrogen 2.858 N/A ASN 152.A ND2 GLU 224.A OE2 no hydrogen 3.562 N/A GLU 154.A N GLN 234.A O no hydrogen 3.057 N/A LYS 161.A NZ ASN 165.A OD1 no hydrogen 2.776 N/A ILE 163.A N PRO 160.A O no hydrogen 2.940 N/A TYR 164.A N PRO 160.A O no hydrogen 2.878 N/A LYS 166.A N ILE 163.A O no hydrogen 2.842 N/A LEU 167.A N TYR 164.A O no hydrogen 3.437 N/A GLY 170.A N LEU 167.A O no hydrogen 3.109 N/A GLN 171.A N ASP 168.A O no hydrogen 3.235 N/A GLN 171.A NE2 ASN 194.A OD1 no hydrogen 2.789 N/A ILE 172.A N ILE 193.A O no hydrogen 2.741 N/A VAL 174.A N LEU 191.A O no hydrogen 2.903 N/A VAL 175.A N PRO 248.A O no hydrogen 3.022 N/A ILE 176.A N TYR 189.A O no hydrogen 2.942 N/A TRP 177.A N LEU 250.A O no hydrogen 2.566 N/A TRP 177.A NE1 ASN 249.A OD1 no hydrogen 2.185 N/A VAL 178.A N GLN 187.A O no hydrogen 2.720 N/A SER 181.A OG ASP 185.A O no hydrogen 3.518 N/A SER 181.A OG GLN 187.A OE1 no hydrogen 3.439 N/A LYS 186.A NZ GLU 724.A OE2 no hydrogen 2.779 N/A GLN 187.A N VAL 178.A O no hydrogen 2.974 N/A GLN 187.A NE2 ASP 185.A O no hydrogen 3.308 N/A TYR 189.A N ILE 176.A O no hydrogen 2.730 N/A LEU 191.A N VAL 174.A O no hydrogen 2.892 N/A ILE 193.A N ILE 172.A O no hydrogen 2.992 N/A ASN 194.A ND2 ASP 196.A OD1 no hydrogen 3.523 N/A HIS 195.A N GLY 170.A O no hydrogen 3.298 N/A HIS 195.A ND1 SER 233.A OG no hydrogen 3.111 N/A ASP 196.A N ASP 196.A OD1 no hydrogen 2.389 N/A CYS 197.A SG ASN 194.A O no hydrogen 3.129 N/A VAL 202.A N VAL 198.A O no hydrogen 3.285 N/A ILE 203.A N PRO 199.A O no hydrogen 2.828 N/A ALA 204.A N GLU 200.A O no hydrogen 2.399 N/A GLU 205.A N GLN 201.A O no hydrogen 2.544 N/A ALA 206.A N VAL 202.A O no hydrogen 2.813 N/A ILE 207.A N ILE 203.A O no hydrogen 3.207 N/A LYS 209.A N GLU 205.A O no hydrogen 3.358 N/A LYS 209.A NZ THR 190.A O no hydrogen 3.108 N/A LYS 210.A N ALA 206.A O no hydrogen 3.147 N/A THR 211.A N ILE 207.A O no hydrogen 2.350 N/A THR 211.A OG1 LYS 210.A O no hydrogen 2.227 N/A LYS 214.A NZ GLN 212.A O no hydrogen 2.529 N/A ILE 216.A N MET 253.A O no hydrogen 2.753 N/A LYS 218.A N MET 251.A O no hydrogen 2.874 N/A LYS 218.A NZ VAL 219.A O no hydrogen 3.422 N/A LYS 218.A NZ ASP 720.A OD2 no hydrogen 3.351 N/A VAL 219.A N GLU 224.A O no hydrogen 2.773 N/A CYS 220.A N ASN 249.A O no hydrogen 3.483 N/A CYS 222.A N VAL 219.A O no hydrogen 3.369 N/A PHE 226.A N LEU 217.A O no hydrogen 2.917 N/A TYR 230.A N GLU 228.A O no hydrogen 2.988 N/A LEU 232.A N CYS 197.A O no hydrogen 2.846 N/A SER 233.A N HIS 195.A O no hydrogen 2.925 N/A SER 233.A OG HIS 195.A ND1 no hydrogen 3.111 N/A SER 233.A OG HIS 195.A O no hydrogen 2.886 N/A GLN 234.A N PRO 231.A O no hydrogen 2.766 N/A GLN 234.A NE2 GLU 154.A O no hydrogen 2.203 N/A TYR 235.A OH GLU 228.A O no hydrogen 2.601 N/A LYS 236.A N ASN 152.A O no hydrogen 2.905 N/A LYS 236.A NZ VAL 153.A O no hydrogen 2.604 N/A ARG 239.A N TYR 235.A O no hydrogen 2.900 N/A ARG 239.A NE SER 233.A O no hydrogen 3.011 N/A ARG 239.A NH2 SER 156.A O no hydrogen 2.933 N/A SER 240.A N LYS 236.A O no hydrogen 2.978 N/A SER 240.A OG LYS 236.A O no hydrogen 3.309 N/A SER 240.A OG TYR 237.A O no hydrogen 2.714 N/A CYS 241.A N TYR 237.A O no hydrogen 3.090 N/A CYS 241.A SG TYR 237.A O no hydrogen 3.639 N/A ILE 242.A N ILE 238.A O no hydrogen 3.258 N/A MET 243.A N ARG 239.A O no hydrogen 3.234 N/A LEU 244.A N SER 240.A O no hydrogen 2.963 N/A GLY 245.A N ILE 242.A O no hydrogen 2.867 N/A ASN 249.A N TYR 237.A OH no hydrogen 3.214 N/A ASN 249.A ND2 MET 247.A O no hydrogen 3.686 N/A LEU 250.A N VAL 175.A O no hydrogen 2.909 N/A MET 251.A N LYS 218.A O no hydrogen 2.945 N/A LEU 252.A N TRP 177.A O no hydrogen 3.058 N/A MET 253.A N ILE 216.A O no hydrogen 2.916 N/A LYS 255.A N LYS 214.A O no hydrogen 3.399 N/A LEU 258.A N LYS 255.A O no hydrogen 3.022 N/A TYR 259.A N LYS 255.A O no hydrogen 2.700 N/A SER 260.A N GLU 256.A O no hydrogen 3.027 N/A GLN 261.A N LEU 258.A O no hydrogen 3.074 N/A GLN 261.A NE2 SER 257.A O no hydrogen 2.023 N/A LEU 262.A N TYR 259.A O no hydrogen 3.243 N/A SER 271.A N GLU 92.A OE2 no hydrogen 3.299 N/A TYR 272.A OH ARG 122.A O no hydrogen 3.186 N/A SER 273.A N PRO 270.A O no hydrogen 3.247 N/A ARG 274.A N SER 271.A O no hydrogen 3.076 N/A ARG 275.A N SER 271.A O no hydrogen 3.316 N/A ARG 275.A NH2 ASP 111.A OD1 no hydrogen 2.968 N/A LYS 280.A N VAL 438.A O no hydrogen 2.786 N/A LYS 280.A NZ PHE 435.A O no hydrogen 2.226 N/A LYS 280.A NZ SER 436.A OG no hydrogen 2.854 N/A LEU 282.A N LYS 440.A O no hydrogen 2.846 N/A VAL 284.A N SER 281.A O no hydrogen 3.230 N/A SER 287.A OG ASN 286.A O no hydrogen 2.341 N/A LEU 289.A N ILE 346.A O no hydrogen 3.153 N/A ARG 290.A NH1 ASP 433.A OD1 no hydrogen 2.986 N/A ILE 291.A N LEU 342.A O no hydrogen 2.891 N/A LYS 292.A N GLU 431.A O no hydrogen 3.126 N/A LYS 292.A NZ ASN 339.A OD1 no hydrogen 2.809 N/A ILE 293.A N GLU 340.A O no hydrogen 2.932 N/A LEU 294.A N GLU 429.A O no hydrogen 3.116 N/A CYS 295.A SG GLU 429.A OE1 no hydrogen 2.968 N/A ALA 296.A N PRO 336.A O no hydrogen 3.378 N/A THR 297.A N CYS 427.A O no hydrogen 2.396 N/A THR 297.A OG1 CYS 427.A O no hydrogen 2.989 N/A THR 297.A OG1 GLU 429.A OE2 no hydrogen 3.020 N/A TYR 298.A OH GLU 424.A O no hydrogen 2.532 N/A ARG 304.A N ASN 302.A OD1 no hydrogen 3.050 N/A ILE 306.A N ASN 302.A O no hydrogen 2.982 N/A ILE 309.A N VAL 331.A O no hydrogen 3.066 N/A TYR 310.A N CYS 362.A O no hydrogen 2.987 N/A TYR 310.A OH HIS 374.A ND1 no hydrogen 2.654 N/A VAL 311.A N THR 328.A OG1 no hydrogen 2.633 N/A ARG 312.A N SER 360.A O no hydrogen 3.094 N/A THR 313.A N VAL 326.A O no hydrogen 2.858 N/A THR 313.A OG1 TYR 344.A OH no hydrogen 2.055 N/A GLY 314.A N CYS 358.A O no hydrogen 2.976 N/A HIS 317.A N GLU 320.A O no hydrogen 2.976 N/A LEU 322.A N ILE 315.A O no hydrogen 2.643 N/A VAL 326.A N THR 313.A O no hydrogen 2.791 N/A THR 328.A N VAL 311.A O no hydrogen 3.135 N/A THR 328.A OG1 VAL 311.A O no hydrogen 3.229 N/A GLN 329.A N GLU 340.A OE1 no hydrogen 3.495 N/A GLN 329.A NE2 GLU 340.A OE1 no hydrogen 3.539 N/A GLN 329.A NE2 GLU 340.A OE2 no hydrogen 3.220 N/A ARG 330.A NH1 GLU 372.A OE2 no hydrogen 2.855 N/A VAL 331.A N ILE 309.A O no hydrogen 3.126 N/A CYS 333.A SG VAL 301.A O no hydrogen 3.832 N/A ARG 337.A N ASN 335.A O no hydrogen 3.260 N/A TRP 338.A N LEU 294.A O no hydrogen 3.225 N/A TRP 338.A NE1 GLN 329.A O no hydrogen 3.094 N/A ASN 339.A N LEU 294.A O no hydrogen 3.095 N/A GLU 340.A N ILE 293.A O no hydrogen 3.127 N/A TYR 344.A N LEU 289.A O no hydrogen 2.906 N/A TYR 344.A OH THR 313.A OG1 no hydrogen 2.055 N/A ASP 345.A N ASP 345.A OD1 no hydrogen 2.390 N/A TYR 347.A OH ASN 286.A OD1 no hydrogen 2.987 N/A ILE 348.A N SER 287.A O no hydrogen 2.937 N/A ASP 350.A N TYR 347.A O no hydrogen 3.056 N/A LEU 351.A N ILE 348.A O no hydrogen 2.997 N/A ARG 353.A NE ASP 389.A OD1 no hydrogen 2.615 N/A ARG 353.A NH1 ARG 353.A O no hydrogen 3.551 N/A ARG 353.A NH1 TYR 577.A OH no hydrogen 2.191 N/A ARG 353.A NH2 ASP 389.A OD1 no hydrogen 2.149 N/A ALA 355.A N PRO 352.A O no hydrogen 2.869 N/A ARG 356.A N TYR 316.A O no hydrogen 2.934 N/A ARG 356.A NH1 GLY 415.A O no hydrogen 3.336 N/A ARG 356.A NH2 PRO 413.A O no hydrogen 1.994 N/A CYS 358.A N GLY 314.A O no hydrogen 3.073 N/A CYS 358.A SG ASN 381.A OD1 no hydrogen 3.555 N/A LEU 359.A N GLY 380.A O no hydrogen 3.375 N/A SER 360.A N ARG 312.A O no hydrogen 3.042 N/A SER 360.A OG ALA 378.A O no hydrogen 2.650 N/A SER 360.A OG LEU 410.A O no hydrogen 3.276 N/A ILE 361.A N ALA 378.A O no hydrogen 3.187 N/A CYS 362.A N TYR 310.A O no hydrogen 2.951 N/A CYS 362.A SG SER 360.A OG no hydrogen 3.450 N/A CYS 362.A SG LEU 410.A O no hydrogen 4.016 N/A SER 363.A N CYS 375.A O no hydrogen 3.414 N/A VAL 364.A N LYS 308.A O no hydrogen 3.128 N/A LYS 365.A N GLU 373.A O no hydrogen 2.850 N/A ARG 367.A NH1 ARG 304.A O no hydrogen 2.700 N/A ARG 367.A NH2 ARG 304.A O no hydrogen 3.437 N/A LYS 371.A N LYS 368.A O no hydrogen 3.204 N/A HIS 374.A ND1 TYR 310.A OH no hydrogen 2.654 N/A CYS 375.A N SER 363.A O no hydrogen 3.394 N/A CYS 375.A SG PRO 376.A O no hydrogen 3.895 N/A LEU 377.A N ILE 361.A O no hydrogen 2.482 N/A TRP 379.A NE1 PRO 402.A O no hydrogen 3.001 N/A GLY 380.A N LEU 359.A O no hydrogen 3.015 N/A ASN 381.A ND2 ASN 412.A O no hydrogen 3.126 N/A ASN 381.A ND2 GLY 415.A O no hydrogen 3.066 N/A ILE 382.A N LEU 357.A O no hydrogen 3.172 N/A ASN 383.A ND2 GLN 576.A O no hydrogen 3.646 N/A LEU 384.A N ALA 355.A O no hydrogen 3.460 N/A ASP 386.A N THR 390.A O no hydrogen 2.184 N/A TYR 387.A OH ASP 120.A OD2 no hydrogen 2.351 N/A THR 388.A OG1 THR 390.A OG1 no hydrogen 3.208 N/A ASP 389.A N ASP 386.A O no hydrogen 2.650 N/A THR 390.A OG1 THR 388.A OG1 no hydrogen 3.208 N/A LEU 391.A N VAL 439.A O no hydrogen 2.784 N/A VAL 392.A N LEU 384.A O no hydrogen 3.012 N/A MET 396.A N LEU 430.A O no hydrogen 3.306 N/A LEU 398.A N LEU 428.A O no hydrogen 3.181 N/A ASN 399.A ND2 THR 425.A O no hydrogen 3.423 N/A LEU 400.A N PRO 426.A O no hydrogen 2.860 N/A TRP 401.A N TRP 379.A O no hydrogen 2.950 N/A TRP 401.A NE1 GLY 418.A O no hydrogen 3.195 N/A LEU 407.A N PRO 404.A O no hydrogen 2.776 N/A LEU 410.A N ASP 409.A OD1 no hydrogen 2.325 N/A LEU 411.A N ASP 409.A OD1 no hydrogen 3.473 N/A GLY 415.A N ASN 412.A O no hydrogen 3.160 N/A GLY 418.A N ASN 381.A O no hydrogen 3.344 N/A ASN 420.A N ASN 399.A O no hydrogen 2.832 N/A ASN 420.A ND2 LEU 400.A O no hydrogen 3.127 N/A ASN 422.A N ASN 420.A OD1 no hydrogen 3.007 N/A LYS 423.A NZ ASN 399.A OD1 no hydrogen 2.792 N/A GLU 424.A N ASN 422.A OD1 no hydrogen 2.784 N/A THR 425.A OG1 ASN 422.A O no hydrogen 3.548 N/A CYS 427.A SG LEU 398.A O no hydrogen 3.622 N/A CYS 427.A SG GLU 429.A OE2 no hydrogen 3.764 N/A LEU 428.A N LEU 398.A O no hydrogen 2.700 N/A GLU 429.A N CYS 295.A O no hydrogen 2.948 N/A GLU 429.A N GLU 429.A OE1 no hydrogen 2.721 N/A LEU 430.A N MET 396.A O no hydrogen 2.828 N/A PHE 432.A N GLY 394.A O no hydrogen 3.142 N/A SER 436.A OG PHE 435.A O no hydrogen 2.310 N/A SER 437.A OG VAL 438.A O no hydrogen 3.569 N/A VAL 438.A N SER 278.A O no hydrogen 3.459 N/A LYS 440.A N LYS 280.A O no hydrogen 3.002 N/A PHE 441.A N ASP 389.A O no hydrogen 2.824 N/A VAL 446.A N ASP 443.A OD1 no hydrogen 3.351 N/A ILE 447.A N ASP 443.A O no hydrogen 3.121 N/A GLU 448.A N MET 444.A O no hydrogen 2.973 N/A GLU 449.A N SER 445.A O no hydrogen 3.475 N/A HIS 450.A N VAL 446.A O no hydrogen 2.943 N/A ALA 451.A N ILE 447.A O no hydrogen 3.102 N/A ASN 452.A N GLU 448.A O no hydrogen 3.105 N/A TRP 453.A N GLU 449.A O no hydrogen 3.157 N/A SER 454.A N HIS 450.A O no hydrogen 3.328 N/A SER 454.A OG ALA 451.A O no hydrogen 3.387 N/A VAL 455.A N ASN 452.A O no hydrogen 3.358 N/A GLU 462.A N GLU 462.A OE1 no hydrogen 2.669 N/A LYS 465.A N LYS 461.A O no hydrogen 3.018 N/A ALA 466.A N GLU 462.A O no hydrogen 2.656 N/A ILE 467.A N GLN 463.A O no hydrogen 2.890 N/A SER 468.A N LEU 464.A O no hydrogen 2.879 N/A SER 468.A OG LYS 465.A O no hydrogen 3.160 N/A THR 469.A N LYS 465.A O no hydrogen 3.122 N/A THR 469.A OG1 LYS 465.A O no hydrogen 3.361 N/A THR 469.A OG1 ALA 466.A O no hydrogen 3.044 N/A ARG 470.A N ILE 467.A O no hydrogen 2.796 N/A ARG 470.A NH1 GLU 480.A OE1 no hydrogen 2.524 N/A ARG 470.A NH1 GLU 480.A OE2 no hydrogen 2.667 N/A ARG 470.A NH2 GLU 480.A OE2 no hydrogen 2.548 N/A SER 474.A N ASP 471.A O no hydrogen 3.464 N/A SER 474.A OG ASP 471.A O no hydrogen 3.221 N/A THR 477.A OG1 GLN 479.A OE1 no hydrogen 3.020 N/A GLN 479.A N GLN 479.A OE1 no hydrogen 2.822 N/A GLU 480.A N THR 477.A OG1 no hydrogen 3.347 N/A LYS 481.A N THR 477.A O no hydrogen 3.034 N/A ASP 482.A N GLU 478.A O no hydrogen 3.044 N/A PHE 483.A N GLN 479.A O no hydrogen 2.845 N/A LEU 484.A N GLU 480.A O no hydrogen 2.539 N/A TRP 485.A N LYS 481.A O no hydrogen 2.928 N/A SER 486.A N ASP 482.A O no hydrogen 3.094 N/A SER 486.A OG ASP 482.A O no hydrogen 2.872 N/A SER 486.A OG PHE 483.A O no hydrogen 2.577 N/A HIS 487.A N PHE 483.A O no hydrogen 3.151 N/A HIS 487.A N LEU 484.A O no hydrogen 2.977 N/A ARG 488.A N TRP 485.A O no hydrogen 3.090 N/A ARG 488.A NH1 TRP 485.A O no hydrogen 2.942 N/A TYR 490.A N HIS 487.A O no hydrogen 3.243 N/A CYS 491.A N ARG 488.A O no hydrogen 3.000 N/A CYS 491.A SG HIS 487.A O no hydrogen 3.217 N/A ILE 494.A N CYS 491.A O no hydrogen 3.036 N/A GLU 496.A N GLU 496.A OE1 no hydrogen 2.309 N/A ILE 497.A N ILE 494.A O no hydrogen 2.662 N/A LEU 498.A N PRO 495.A O no hydrogen 3.278 N/A LEU 501.A N ILE 497.A O no hydrogen 2.983 N/A LEU 502.A N LEU 498.A O no hydrogen 2.913 N/A SER 504.A N LYS 500.A O no hydrogen 3.405 N/A SER 504.A OG LEU 501.A O no hydrogen 2.962 N/A VAL 505.A N LEU 502.A O no hydrogen 3.181 N/A SER 509.A OG LYS 506.A O no hydrogen 3.236 N/A ARG 510.A N ASP 350.A OD1 no hydrogen 3.516 N/A ARG 510.A NE HIS 450.A NE2 no hydrogen 3.075 N/A VAL 513.A N SER 509.A O no hydrogen 3.187 N/A ALA 514.A N ARG 510.A O no hydrogen 3.233 N/A GLN 515.A N GLU 512.A O no hydrogen 2.992 N/A GLN 515.A NE2 SER 454.A OG no hydrogen 2.918 N/A MET 516.A N GLU 512.A O no hydrogen 3.070 N/A TYR 517.A N VAL 513.A O no hydrogen 2.889 N/A TYR 517.A OH ASP 541.A OD1 no hydrogen 2.005 N/A TYR 517.A OH ASP 541.A OD2 no hydrogen 2.973 N/A CYS 518.A N ALA 514.A O no hydrogen 3.377 N/A CYS 518.A SG GLU 448.A O no hydrogen 3.763 N/A CYS 518.A SG ALA 514.A O no hydrogen 3.287 N/A VAL 520.A N MET 516.A O no hydrogen 2.944 N/A LYS 521.A N TYR 517.A O no hydrogen 3.144 N/A ASP 522.A N LEU 519.A O no hydrogen 3.179 N/A TRP 523.A N VAL 520.A O no hydrogen 3.520 N/A TRP 523.A NE1 PRO 495.A O no hydrogen 2.873 N/A ALA 531.A N LYS 527.A O no hydrogen 2.983 N/A MET 532.A N PRO 528.A O no hydrogen 2.970 N/A GLU 533.A N GLN 530.A O no hydrogen 3.158 N/A LEU 534.A N ALA 531.A O no hydrogen 2.997 N/A LEU 535.A N MET 532.A O no hydrogen 3.371 N/A CYS 537.A SG ASN 538.A OD1 no hydrogen 3.754 N/A TYR 539.A N ASP 536.A O no hydrogen 3.385 N/A TYR 539.A OH PRO 499.A O no hydrogen 2.989 N/A MET 543.A N ASP 541.A OD2 no hydrogen 2.914 N/A VAL 544.A N ASP 541.A OD2 no hydrogen 3.226 N/A ARG 545.A N ASP 541.A O no hydrogen 2.948 N/A ARG 545.A NE GLU 575.A OE2 no hydrogen 2.827 N/A ARG 545.A NH1 ASP 536.A O no hydrogen 3.169 N/A ARG 545.A NH1 TYR 539.A O no hydrogen 2.981 N/A ARG 545.A NH2 LEU 535.A O no hydrogen 2.520 N/A ARG 545.A NH2 GLU 575.A OE2 no hydrogen 3.527 N/A GLY 546.A N PRO 542.A O no hydrogen 2.746 N/A PHE 547.A N MET 543.A O no hydrogen 3.355 N/A ALA 548.A N VAL 544.A O no hydrogen 3.228 N/A VAL 549.A N ARG 545.A O no hydrogen 3.332 N/A ARG 550.A N GLY 546.A O no hydrogen 3.256 N/A CYS 551.A N PHE 547.A O no hydrogen 3.102 N/A CYS 551.A SG ILE 526.A O no hydrogen 3.983 N/A CYS 551.A SG PHE 547.A O no hydrogen 3.584 N/A LEU 552.A N ALA 548.A O no hydrogen 2.970 N/A GLU 553.A N VAL 549.A O no hydrogen 2.801 N/A LYS 554.A N ARG 550.A O no hydrogen 3.461 N/A TYR 555.A N LEU 552.A O no hydrogen 3.470 N/A LEU 556.A N LEU 552.A O no hydrogen 2.844 N/A LYS 560.A N THR 557.A OG1 no hydrogen 3.399 N/A LYS 560.A NZ TYR 555.A O no hydrogen 3.567 N/A LEU 561.A N THR 557.A O no hydrogen 2.788 N/A SER 562.A N ASP 558.A O no hydrogen 3.188 N/A SER 562.A OG ASP 558.A O no hydrogen 2.706 N/A GLN 563.A N ASP 559.A O no hydrogen 3.166 N/A GLN 563.A NE2 GLN 563.A O no hydrogen 3.485 N/A TYR 564.A N LYS 560.A O no hydrogen 2.929 N/A TYR 564.A OH GLU 529.A OE1 no hydrogen 3.043 N/A TYR 564.A OH GLU 529.A OE2 no hydrogen 3.090 N/A GLN 567.A NE2 GLN 748.A OE1 no hydrogen 2.815 N/A LEU 568.A N TYR 564.A O no hydrogen 3.228 N/A VAL 569.A N LEU 565.A O no hydrogen 2.970 N/A GLN 570.A N ILE 566.A O no hydrogen 3.243 N/A VAL 571.A N GLN 567.A O no hydrogen 3.199 N/A LEU 572.A N VAL 569.A O no hydrogen 3.006 N/A LYS 573.A N GLN 570.A O no hydrogen 2.938 N/A LYS 573.A NZ GLU 607.A OE1 no hydrogen 2.839 N/A LYS 573.A NZ GLU 607.A OE2 no hydrogen 2.608 N/A GLU 575.A N LEU 572.A O no hydrogen 2.998 N/A TYR 577.A OH PHE 385.A O no hydrogen 3.080 N/A ASN 580.A ND2 TYR 577.A O no hydrogen 2.839 N/A VAL 583.A N ASN 580.A OD1 no hydrogen 2.919 N/A ARG 584.A N ASN 580.A O no hydrogen 3.363 N/A ARG 584.A NE ASP 579.A OD1 no hydrogen 3.035 N/A ARG 584.A NH1 ASN 127.A OD1 no hydrogen 3.258 N/A ARG 584.A NH2 ASP 579.A OD2 no hydrogen 3.388 N/A PHE 585.A N LEU 581.A O no hydrogen 3.045 N/A LEU 586.A N LEU 582.A O no hydrogen 2.832 N/A LEU 587.A N VAL 583.A O no hydrogen 2.862 N/A LYS 588.A N ARG 584.A O no hydrogen 3.044 N/A LYS 589.A N PHE 585.A O no hydrogen 3.091 N/A ALA 590.A N LEU 586.A O no hydrogen 2.914 N/A LEU 591.A N LEU 587.A O no hydrogen 2.999 N/A THR 592.A N LYS 589.A O no hydrogen 3.121 N/A THR 592.A OG1 LYS 588.A O no hydrogen 3.034 N/A THR 592.A OG1 LYS 589.A O no hydrogen 3.213 N/A GLN 594.A N TYR 147.A O no hydrogen 3.045 N/A ARG 595.A NH2 PRO 150.A O no hydrogen 2.517 N/A ILE 596.A N ASN 593.A OD1 no hydrogen 2.989 N/A GLY 597.A N ASN 593.A O no hydrogen 2.859 N/A HIS 598.A N GLN 594.A O no hydrogen 2.840 N/A HIS 598.A ND1 TYR 631.A OH no hydrogen 2.712 N/A HIS 598.A NE2 PRO 687.A O no hydrogen 2.524 N/A PHE 600.A N ILE 596.A O no hydrogen 2.661 N/A PHE 601.A N GLY 597.A O no hydrogen 2.826 N/A TRP 602.A N HIS 598.A O no hydrogen 3.187 N/A TRP 602.A NE1 GLN 638.A OE1 no hydrogen 2.961 N/A HIS 603.A N PHE 599.A O no hydrogen 2.934 N/A LEU 604.A N PHE 600.A O no hydrogen 3.292 N/A LYS 605.A N PHE 601.A O no hydrogen 2.758 N/A LYS 605.A NZ ALA 102.A O no hydrogen 2.789 N/A SER 606.A N TRP 602.A O no hydrogen 3.149 N/A SER 606.A OG TRP 602.A O no hydrogen 3.024 N/A SER 606.A OG HIS 603.A O no hydrogen 2.769 N/A GLU 607.A N LEU 604.A O no hydrogen 3.088 N/A MET 608.A N LYS 605.A O no hydrogen 3.391 N/A THR 612.A N ASN 610.A OD1 no hydrogen 2.761 N/A THR 612.A OG1 ASN 610.A OD1 no hydrogen 2.664 N/A VAL 613.A N ASN 610.A O no hydrogen 3.209 N/A SER 614.A OG MET 608.A O no hydrogen 3.317 N/A ARG 616.A NH1 GLU 575.A O no hydrogen 2.875 N/A ARG 616.A NH2 GLU 575.A O no hydrogen 3.106 N/A PHE 617.A N VAL 613.A O no hydrogen 3.037 N/A GLY 618.A N SER 614.A O no hydrogen 2.939 N/A LEU 619.A N GLN 615.A O no hydrogen 2.986 N/A LEU 620.A N ARG 616.A O no hydrogen 3.327 N/A LEU 621.A N PHE 617.A O no hydrogen 2.738 N/A GLU 622.A N GLY 618.A O no hydrogen 3.025 N/A SER 623.A N LEU 619.A O no hydrogen 3.095 N/A TYR 624.A N LEU 620.A O no hydrogen 3.096 N/A CYS 625.A N LEU 621.A O no hydrogen 2.827 N/A CYS 625.A SG LEU 621.A O no hydrogen 3.245 N/A ARG 626.A N GLU 622.A O no hydrogen 2.931 N/A ARG 626.A NH2 ASN 96.A OD1 no hydrogen 3.153 N/A ARG 626.A NH2 GLU 622.A OE2 no hydrogen 3.570 N/A ALA 627.A N TYR 624.A O no hydrogen 2.855 N/A CYS 628.A N TYR 624.A O no hydrogen 2.644 N/A CYS 628.A SG CYS 625.A O no hydrogen 3.557 N/A CYS 628.A SG GLY 629.A O no hydrogen 3.788 N/A TYR 631.A OH HIS 598.A ND1 no hydrogen 2.712 N/A LEU 632.A N GLY 629.A O no hydrogen 3.365 N/A LEU 635.A N TYR 631.A O no hydrogen 2.934 N/A ASN 636.A N LEU 632.A O no hydrogen 2.915 N/A ASN 636.A ND2 GLU 98.A O no hydrogen 3.347 N/A ARG 637.A N LYS 633.A O no hydrogen 3.219 N/A ARG 637.A NE GLY 683.A O no hydrogen 3.095 N/A ARG 637.A NH2 ASP 679.A O no hydrogen 3.501 N/A GLN 638.A N HIS 634.A O no hydrogen 3.102 N/A GLN 638.A NE2 TYR 631.A OH no hydrogen 3.553 N/A VAL 639.A N LEU 635.A O no hydrogen 2.828 N/A GLU 640.A N ASN 636.A O no hydrogen 2.866 N/A ALA 641.A N ARG 637.A O no hydrogen 2.995 N/A MET 642.A N GLN 638.A O no hydrogen 2.888 N/A GLU 643.A N VAL 639.A O no hydrogen 3.109 N/A LYS 644.A N GLU 640.A O no hydrogen 3.491 N/A LYS 644.A NZ ASP 676.A O no hydrogen 3.373 N/A LEU 645.A N ALA 641.A O no hydrogen 3.461 N/A ILE 646.A N MET 642.A O no hydrogen 2.884 N/A ASN 647.A N GLU 643.A O no hydrogen 2.954 N/A LEU 648.A N LYS 644.A O no hydrogen 2.989 N/A THR 649.A N LEU 645.A O no hydrogen 2.679 N/A THR 649.A OG1 LEU 645.A O no hydrogen 2.902 N/A ASP 650.A N ILE 646.A O no hydrogen 2.844 N/A ILE 651.A N ASN 647.A O no hydrogen 3.186 N/A LEU 652.A N THR 649.A O no hydrogen 2.910 N/A LYS 653.A N ASP 650.A O no hydrogen 2.834 N/A LYS 653.A NZ ASN 736.A O no hydrogen 3.561 N/A GLN 654.A N ASP 650.A O no hydrogen 3.019 N/A GLU 659.A N GLU 659.A OE1 no hydrogen 2.682 N/A GLN 661.A NE2 ILE 704.A O no hydrogen 3.591 N/A VAL 663.A N THR 660.A OG1 no hydrogen 3.187 N/A GLN 664.A N THR 660.A O no hydrogen 2.991 N/A MET 665.A N GLN 661.A O no hydrogen 2.615 N/A LYS 666.A N LYS 662.A O no hydrogen 2.722 N/A PHE 667.A N VAL 663.A O no hydrogen 2.690 N/A LEU 668.A N GLN 664.A O no hydrogen 2.642 N/A VAL 669.A N MET 665.A O no hydrogen 2.896 N/A GLU 670.A N LYS 666.A O no hydrogen 3.252 N/A GLN 671.A N PHE 667.A O no hydrogen 3.043 N/A MET 672.A N LEU 668.A O no hydrogen 2.850 N/A ARG 673.A N VAL 669.A O no hydrogen 2.882 N/A ARG 673.A N GLU 670.A O no hydrogen 2.974 N/A ARG 674.A N GLN 671.A O no hydrogen 3.447 N/A ARG 674.A NH1 GLN 671.A O no hydrogen 3.458 N/A MET 678.A N ARG 674.A O no hydrogen 2.816 N/A ASP 679.A N PRO 675.A O no hydrogen 2.848 N/A ALA 680.A N PHE 677.A O no hydrogen 3.144 N/A LEU 681.A N PHE 677.A O no hydrogen 3.188 N/A GLY 683.A N GLY 695.A O no hydrogen 3.505 N/A SER 686.A N HIS 692.A O no hydrogen 3.143 N/A HIS 692.A N ASN 689.A O no hydrogen 2.978 N/A LEU 694.A N PHE 684.A O no hydrogen 3.035 N/A GLY 695.A N GLU 717.A O no hydrogen 2.856 N/A LEU 697.A N GLN 682.A OE1 no hydrogen 3.012 N/A ARG 698.A N ASN 715.A O no hydrogen 2.926 N/A GLU 700.A N GLU 700.A OE1 no hydrogen 2.542 N/A GLU 701.A N ARG 698.A O no hydrogen 3.092 N/A CYS 702.A N ARG 698.A O no hydrogen 3.153 N/A CYS 702.A SG ARG 698.A O no hydrogen 3.125 N/A CYS 702.A SG ASN 715.A O no hydrogen 3.975 N/A ARG 703.A N TRP 713.A O no hydrogen 2.885 N/A MET 705.A N PRO 711.A O no hydrogen 3.041 N/A LYS 709.A NZ GLY 737.A O no hydrogen 2.610 N/A LYS 709.A NZ ASP 738.A OD1 no hydrogen 2.318 N/A ARG 710.A N SER 707.A O no hydrogen 3.257 N/A LEU 712.A N PHE 734.A O no hydrogen 2.980 N/A TRP 713.A N ARG 703.A O no hydrogen 2.751 N/A LEU 714.A N ILE 732.A O no hydrogen 3.066 N/A TRP 716.A N ASN 730.A O no hydrogen 2.856 N/A TRP 716.A NE1 LEU 681.A O no hydrogen 3.166 N/A GLU 717.A N ASN 696.A O no hydrogen 3.106 N/A ASN 718.A ND2 GLY 221.A O no hydrogen 3.276 N/A ASN 718.A ND2 PHE 727.A O no hydrogen 3.452 N/A ASP 720.A N ASN 718.A OD1 no hydrogen 2.857 N/A MET 722.A N ASP 720.A OD1 no hydrogen 3.377 N/A GLU 724.A N GLU 724.A OE1 no hydrogen 2.869 N/A ASN 730.A N TRP 716.A O no hydrogen 2.896 N/A ILE 732.A N LEU 714.A O no hydrogen 3.064 N/A ILE 733.A N ILE 781.A O no hydrogen 2.892 N/A PHE 734.A N LEU 712.A O no hydrogen 2.859 N/A LYS 735.A N GLY 779.A O no hydrogen 2.856 N/A GLY 737.A N CYS 777.A O no hydrogen 2.592 N/A ARG 741.A N ASP 739.A OD1 no hydrogen 2.910 N/A ARG 741.A NE ASP 739.A OD1 no hydrogen 3.130 N/A ARG 741.A NH2 ASP 739.A OD2 no hydrogen 2.206 N/A MET 744.A N LEU 740.A O no hydrogen 3.162 N/A LEU 745.A N ARG 741.A O no hydrogen 3.134 N/A THR 746.A N GLN 742.A O no hydrogen 2.689 N/A THR 746.A OG1 GLN 742.A O no hydrogen 3.058 N/A LEU 747.A N ASP 743.A O no hydrogen 2.637 N/A GLN 748.A N MET 744.A O no hydrogen 2.772 N/A GLN 748.A NE2 GLN 563.A O no hydrogen 2.677 N/A GLN 748.A NE2 GLN 567.A OE1 no hydrogen 2.596 N/A ILE 749.A N LEU 745.A O no hydrogen 2.949 N/A ILE 750.A N THR 746.A O no hydrogen 3.056 N/A ARG 751.A N LEU 747.A O no hydrogen 3.170 N/A ILE 752.A N GLN 748.A O no hydrogen 3.208 N/A MET 753.A N ILE 749.A O no hydrogen 2.748 N/A GLU 754.A N ILE 750.A O no hydrogen 2.903 N/A ASN 755.A N ARG 751.A O no hydrogen 3.167 N/A ILE 756.A N ILE 752.A O no hydrogen 3.209 N/A TRP 757.A N MET 753.A O no hydrogen 2.981 N/A TRP 757.A NE1 ALA 914.A O no hydrogen 3.316 N/A GLN 758.A N GLU 754.A O no hydrogen 2.966 N/A ASN 759.A N ASN 755.A O no hydrogen 3.233 N/A GLN 760.A N ILE 756.A O no hydrogen 3.021 N/A GLY 761.A N TRP 757.A O no hydrogen 3.025 N/A LEU 762.A N TRP 757.A O no hydrogen 3.063 N/A ARG 765.A NH2 GLN 855.A OE1 no hydrogen 2.779 N/A LEU 767.A N TYR 831.A OH no hydrogen 3.309 N/A GLY 770.A N GLU 782.A OE1 no hydrogen 2.921 N/A CYS 771.A SG LEU 780.A O no hydrogen 3.962 N/A LEU 772.A N LEU 780.A O no hydrogen 2.904 N/A ILE 774.A N VAL 778.A O no hydrogen 3.020 N/A GLY 775.A N VAL 778.A O no hydrogen 3.302 N/A GLY 779.A N LYS 735.A O no hydrogen 2.788 N/A LEU 780.A N LEU 772.A O no hydrogen 2.685 N/A ILE 781.A N ILE 733.A O no hydrogen 2.865 N/A GLU 782.A N GLY 770.A O no hydrogen 2.738 N/A SER 787.A OG VAL 784.A O no hydrogen 3.224 N/A HIS 788.A N VAL 850.A O no hydrogen 3.252 N/A ILE 790.A N ILE 848.A O no hydrogen 2.663 N/A MET 791.A N ASN 845.A O no hydrogen 2.724 N/A GLN 792.A N THR 789.A OG1 no hydrogen 3.384 N/A ILE 793.A N THR 789.A O no hydrogen 3.152 N/A GLN 794.A N ILE 790.A O no hydrogen 3.100 N/A CYS 795.A N MET 791.A O no hydrogen 2.898 N/A LYS 796.A N GLN 792.A O no hydrogen 2.643 N/A GLY 797.A N ILE 793.A O no hydrogen 2.698 N/A GLY 798.A N CYS 795.A O no hydrogen 3.372 N/A ASN 800.A ND2 HIS 802.A ND1 no hydrogen 2.874 N/A SER 801.A OG ASP 886.A OD1 no hydrogen 2.651 N/A THR 803.A N ASN 800.A O no hydrogen 3.023 N/A THR 803.A OG1 ASN 800.A O no hydrogen 2.614 N/A HIS 805.A NE2 TYR 817.A OH no hydrogen 2.230 N/A GLN 806.A N HIS 802.A O no hydrogen 2.822 N/A TRP 807.A N THR 803.A O no hydrogen 2.996 N/A LEU 808.A N LEU 804.A O no hydrogen 3.002 N/A LYS 809.A N HIS 805.A O no hydrogen 2.914 N/A LYS 809.A NZ GLN 806.A OE1 no hydrogen 3.421 N/A ASP 810.A N GLN 806.A O no hydrogen 3.098 N/A LYS 811.A N TRP 807.A O no hydrogen 3.203 N/A ASN 812.A N LYS 809.A O no hydrogen 3.277 N/A GLU 815.A N GLU 815.A OE1 no hydrogen 2.189 N/A ILE 816.A N GLU 815.A OE1 no hydrogen 3.345 N/A TYR 817.A N GLY 814.A O no hydrogen 2.951 N/A TYR 817.A OH HIS 805.A NE2 no hydrogen 2.230 N/A ASP 818.A N GLU 815.A O no hydrogen 3.370 N/A ALA 820.A N ILE 816.A O no hydrogen 3.037 N/A ILE 821.A N TYR 817.A O no hydrogen 3.251 N/A ASP 822.A N ASP 818.A O no hydrogen 3.176 N/A LEU 823.A N ALA 819.A O no hydrogen 3.058 N/A PHE 824.A N ALA 820.A O no hydrogen 2.735 N/A THR 825.A N ILE 821.A O no hydrogen 2.884 N/A THR 825.A OG1 ILE 821.A O no hydrogen 3.220 N/A ARG 826.A N ASP 822.A O no hydrogen 2.923 N/A ARG 826.A NE ASP 763.A O no hydrogen 3.025 N/A ARG 826.A NH1 ASP 822.A OD1 no hydrogen 3.286 N/A SER 827.A N LEU 823.A O no hydrogen 2.943 N/A SER 827.A OG LEU 823.A O no hydrogen 2.678 N/A SER 827.A OG PHE 824.A O no hydrogen 2.956 N/A CYS 828.A N PHE 824.A O no hydrogen 2.749 N/A ALA 829.A N THR 825.A O no hydrogen 2.760 N/A GLY 830.A N ARG 826.A O no hydrogen 3.212 N/A TYR 831.A N SER 827.A O no hydrogen 3.148 N/A CYS 832.A N CYS 828.A O no hydrogen 3.121 N/A CYS 832.A SG CYS 828.A O no hydrogen 3.363 N/A VAL 833.A N ALA 829.A O no hydrogen 3.288 N/A ALA 834.A N GLY 830.A O no hydrogen 3.090 N/A THR 835.A N TYR 831.A O no hydrogen 2.788 N/A THR 835.A OG1 TYR 831.A O no hydrogen 2.600 N/A THR 835.A OG1 CYS 832.A O no hydrogen 3.349 N/A ILE 837.A N VAL 833.A O no hydrogen 3.031 N/A LEU 838.A N ALA 834.A O no hydrogen 3.295 N/A GLY 839.A N PHE 836.A O no hydrogen 3.136 N/A ARG 843.A NH1 ILE 859.A O no hydrogen 2.604 N/A ARG 843.A NH2 ILE 859.A O no hydrogen 3.433 N/A ARG 843.A NH2 ASP 860.A O no hydrogen 2.682 N/A HIS 844.A N ASN 847.A OD1 no hydrogen 2.658 N/A HIS 844.A ND1 ASP 842.A O no hydrogen 2.488 N/A ASN 845.A ND2 GLN 794.A OE1 no hydrogen 3.312 N/A ASN 847.A N HIS 844.A O no hydrogen 3.312 N/A ASN 847.A ND2 ASP 842.A O no hydrogen 3.582 N/A MET 849.A N PHE 857.A O no hydrogen 3.231 N/A VAL 850.A N HIS 788.A O no hydrogen 2.545 N/A LYS 851.A N GLN 855.A O no hydrogen 2.738 N/A LEU 856.A N SER 827.A OG no hydrogen 3.228 N/A PHE 857.A N MET 849.A O no hydrogen 3.196 N/A ILE 859.A N ASN 847.A O no hydrogen 3.048 N/A GLY 862.A N ASP 743.A OD1 no hydrogen 2.479 N/A LEU 865.A N LEU 838.A O no hydrogen 2.924 N/A LYS 869.A N ASP 866.A O no hydrogen 2.732 N/A LYS 869.A NZ ARG 876.A O no hydrogen 3.157 N/A LYS 870.A N ASP 866.A O no hydrogen 3.012 N/A LYS 870.A N HIS 867.A O no hydrogen 2.983 N/A LYS 871.A N HIS 867.A O no hydrogen 3.180 N/A ARG 878.A NE TYR 965.A OH no hydrogen 2.285 N/A THR 884.A OG1 VAL 882.A O no hydrogen 2.886 N/A LEU 888.A N THR 884.A O no hydrogen 3.073 N/A ILE 889.A N GLN 885.A O no hydrogen 2.865 N/A VAL 890.A N ASP 886.A O no hydrogen 3.096 N/A ILE 891.A N PHE 887.A O no hydrogen 2.849 N/A SER 892.A N LEU 888.A O no hydrogen 3.080 N/A SER 892.A OG LEU 888.A O no hydrogen 3.056 N/A LYS 893.A N VAL 890.A O no hydrogen 3.116 N/A GLY 894.A N ILE 889.A O no hydrogen 2.543 N/A ALA 895.A N SER 892.A O no hydrogen 3.033 N/A CYS 898.A SG ALA 895.A O no hydrogen 3.358 N/A CYS 898.A SG GLN 896.A O no hydrogen 3.942 N/A LYS 900.A N GLU 897.A OE1 no hydrogen 3.067 N/A LYS 900.A N GLU 897.A OE2 no hydrogen 3.171 N/A THR 901.A N CYS 898.A O no hydrogen 3.489 N/A THR 901.A OG1 GLU 897.A O no hydrogen 2.635 N/A THR 901.A OG1 CYS 898.A O no hydrogen 3.108 N/A GLU 903.A N GLU 903.A OE1 no hydrogen 2.757 N/A GLU 905.A N THR 901.A O no hydrogen 3.341 N/A GLU 905.A N ARG 902.A O no hydrogen 3.255 N/A PHE 907.A N GLU 903.A O no hydrogen 3.154 N/A GLN 908.A N PHE 904.A O no hydrogen 2.882 N/A GLU 909.A N GLU 905.A O no hydrogen 2.808 N/A MET 910.A N ARG 906.A O no hydrogen 2.982 N/A CYS 911.A N PHE 907.A O no hydrogen 2.947 N/A CYS 911.A SG PHE 907.A O no hydrogen 3.509 N/A TYR 912.A N GLN 908.A O no hydrogen 2.890 N/A LYS 913.A N GLU 909.A O no hydrogen 2.958 N/A ALA 914.A N MET 910.A O no hydrogen 2.984 N/A TYR 915.A N CYS 911.A O no hydrogen 2.861 N/A TYR 915.A OH THR 952.A O no hydrogen 2.551 N/A LEU 916.A N TYR 912.A O no hydrogen 2.890 N/A ALA 917.A N LYS 913.A O no hydrogen 2.856 N/A ILE 918.A N ALA 914.A O no hydrogen 3.081 N/A ARG 919.A N TYR 915.A O no hydrogen 3.054 N/A ARG 919.A NE LEU 953.A O no hydrogen 3.046 N/A ARG 919.A NH2 ALA 954.A O no hydrogen 3.145 N/A GLN 920.A N LEU 916.A O no hydrogen 3.038 N/A HIS 921.A N ILE 918.A O no hydrogen 2.970 N/A ALA 922.A N ARG 919.A O no hydrogen 3.137 N/A ASN 923.A ND2 ARG 470.A O no hydrogen 3.598 N/A LEU 924.A N HIS 921.A O no hydrogen 3.240 N/A ILE 926.A N ALA 922.A O no hydrogen 2.901 N/A ASN 927.A N ASN 923.A O no hydrogen 3.058 N/A LEU 928.A N LEU 924.A O no hydrogen 2.995 N/A PHE 929.A N PHE 925.A O no hydrogen 3.364 N/A SER 930.A N ILE 926.A O no hydrogen 2.952 N/A SER 930.A OG ASP 536.A OD2 no hydrogen 2.918 N/A SER 930.A OG ASN 927.A O no hydrogen 3.112 N/A MET 931.A N ASN 927.A O no hydrogen 3.037 N/A MET 932.A N PHE 929.A O no hydrogen 3.083 N/A LEU 933.A N SER 930.A O no hydrogen 3.209 N/A GLY 934.A N TYR 574.A OH no hydrogen 2.366 N/A SER 935.A N MET 932.A O no hydrogen 3.246 N/A SER 935.A OG MET 932.A O no hydrogen 3.179 N/A MET 937.A N SER 935.A OG no hydrogen 3.327 N/A LEU 940.A N MET 937.A O no hydrogen 3.050 N/A ASP 945.A N SER 942.A O no hydrogen 2.836 N/A ALA 947.A N PHE 943.A O no hydrogen 3.157 N/A TYR 948.A N ASP 945.A O no hydrogen 2.979 N/A ILE 949.A N ILE 946.A O no hydrogen 3.158 N/A ARG 950.A NE ASP 471.A OD1 no hydrogen 2.196 N/A ARG 950.A NH1 ASP 956.A OD1 no hydrogen 3.302 N/A ARG 950.A NH2 ASP 956.A OD1 no hydrogen 3.214 N/A LYS 951.A N TYR 948.A O no hydrogen 3.052 N/A THR 952.A N TYR 948.A O no hydrogen 3.259 N/A THR 952.A OG1 ILE 837.A O no hydrogen 2.818 N/A THR 952.A OG1 ILE 949.A O no hydrogen 3.091 N/A LEU 953.A N ILE 949.A O no hydrogen 2.960 N/A ALA 954.A N LYS 951.A O no hydrogen 2.494 N/A LEU 955.A N ARG 950.A O no hydrogen 3.083 N/A THR 958.A N GLU 961.A OE2 no hydrogen 3.368 N/A GLN 960.A NE2 GLU 964.A OE2 no hydrogen 3.161 N/A ALA 962.A N THR 958.A O no hydrogen 2.745 N/A LEU 963.A N GLU 959.A O no hydrogen 2.988 N/A GLU 964.A N GLN 960.A O no hydrogen 2.949 N/A TYR 965.A N GLU 961.A O no hydrogen 2.626 N/A PHE 966.A N ALA 962.A O no hydrogen 2.720 N/A MET 967.A N LEU 963.A O no hydrogen 2.880 N/A LYS 968.A N GLU 964.A O no hydrogen 3.184 N/A GLN 969.A N TYR 965.A O no hydrogen 3.396 N/A MET 970.A N PHE 966.A O no hydrogen 3.072 N/A ASN 971.A N MET 967.A O no hydrogen 2.972 N/A ASN 971.A ND2 MET 967.A O no hydrogen 2.556 N/A ASP 972.A N LYS 968.A O no hydrogen 2.991 N/A ALA 973.A N GLN 969.A O no hydrogen 3.109 N/A ARG 974.A N MET 970.A O no hydrogen 2.740 N/A ARG 974.A NE ASN 971.A O no hydrogen 3.544 N/A HIS 975.A N ASN 971.A O no hydrogen 3.304 N/A