Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3j7h_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 9.A N SER 5.A O no hydrogen 3.131 N/A LEU 10.A N LEU 6.A O no hydrogen 2.708 N/A GLN 11.A N ALA 7.A O no hydrogen 3.436 N/A GLN 22.A NE2 THR 21.A OG1 no hydrogen 3.268 N/A LEU 23.A N TYR 160.A O no hydrogen 2.772 N/A LEU 26.A N GLU 169.A O no hydrogen 2.850 N/A SER 34.A OG SER 34.A O no hydrogen 2.458 N/A SER 34.A OG HIS 215.A O no hydrogen 2.183 N/A SER 34.A OG GLU 323.A OE1 no hydrogen 3.568 N/A GLU 39.A N ASN 37.A OD1 no hydrogen 2.648 N/A ARG 42.A N SER 38.A O no hydrogen 3.387 N/A ARG 42.A NH1 GLU 263.A OE1 no hydrogen 2.657 N/A ARG 42.A NH2 GLU 39.A OE2 no hydrogen 2.751 N/A THR 43.A N GLU 39.A O no hydrogen 2.564 N/A THR 43.A OG1 GLU 39.A O no hydrogen 2.548 N/A ASP 44.A N GLU 40.A O no hydrogen 2.352 N/A ARG 45.A N GLU 40.A O no hydrogen 3.217 N/A SER 47.A OG ALA 33.A O no hydrogen 2.912 N/A GLN 49.A N SER 47.A OG no hydrogen 3.288 N/A ARG 51.A N LEU 213.A O no hydrogen 2.614 N/A LEU 53.A N VAL 211.A O no hydrogen 2.561 N/A ASN 54.A N SER 52.A OG no hydrogen 2.999 N/A TRP 57.A N VAL 83.A O no hydrogen 3.033 N/A TRP 57.A NE1 LEU 53.A O no hydrogen 2.722 N/A ARG 58.A NH1 ALA 80.A O no hydrogen 1.705 N/A ARG 58.A NH2 PRO 78.A O no hydrogen 3.316 N/A PHE 59.A N ASP 81.A O no hydrogen 2.719 N/A ALA 60.A N CYS 121.A O no hydrogen 2.884 N/A PHE 62.A N THR 119.A O no hydrogen 2.702 N/A TRP 72.A N PRO 69.A O no hydrogen 3.484 N/A CYS 75.A N SER 71.A O no hydrogen 3.425 N/A CYS 75.A SG ASP 76.A O no hydrogen 3.907 N/A VAL 83.A N TRP 57.A O no hydrogen 2.645 N/A VAL 85.A N GLY 55.A O no hydrogen 3.386 N/A HIS 92.A N ASN 88.A O no hydrogen 3.237 N/A GLY 93.A N GLN 90.A O no hydrogen 2.727 N/A THR 100.A OG1 THR 103.A O no hydrogen 2.638 N/A ASN 101.A N ASP 597.A OD1 no hydrogen 2.057 N/A ASN 109.A N THR 107.A O no hydrogen 3.172 N/A VAL 113.A N GLU 16.A OE1 no hydrogen 2.851 N/A VAL 113.A N GLU 16.A OE2 no hydrogen 3.156 N/A ASN 117.A ND2 PRO 114.A O no hydrogen 1.941 N/A THR 119.A N PHE 62.A O no hydrogen 2.727 N/A THR 119.A OG1 ASN 117.A O no hydrogen 2.903 N/A GLY 120.A N VAL 187.A O no hydrogen 3.040 N/A CYS 121.A N ALA 60.A O no hydrogen 2.739 N/A TYR 122.A N VAL 185.A O no hydrogen 2.635 N/A SER 123.A N ARG 58.A O no hydrogen 3.176 N/A LEU 124.A N LEU 183.A O no hydrogen 2.538 N/A PHE 126.A N ASN 181.A O no hydrogen 3.292 N/A TRP 132.A N ASP 129.A O no hydrogen 3.186 N/A GLN 137.A N LYS 216.A O no hydrogen 2.690 N/A THR 138.A N SER 173.A OG no hydrogen 2.833 N/A ARG 139.A N LEU 214.A O no hydrogen 2.975 N/A ILE 141.A N SER 212.A O no hydrogen 2.692 N/A PHE 142.A N SER 168.A O no hydrogen 3.090 N/A ASP 143.A N ASP 210.A O no hydrogen 2.809 N/A VAL 145.A N SER 164.A O no hydrogen 2.799 N/A ASN 146.A N GLY 206.A O no hydrogen 3.175 N/A SER 147.A N LEU 188.A O no hydrogen 2.906 N/A SER 147.A OG LEU 188.A O no hydrogen 3.200 N/A PHE 149.A N GLY 161.A O no hydrogen 3.331 N/A HIS 150.A N MET 186.A O no hydrogen 2.849 N/A LEU 151.A N GLY 159.A O no hydrogen 2.816 N/A TRP 152.A N ALA 184.A O no hydrogen 2.881 N/A TRP 152.A NE1 ASP 4.A O no hydrogen 3.137 N/A CYS 153.A N ARG 156.A O no hydrogen 2.473 N/A ASN 154.A N ARG 182.A O no hydrogen 3.057 N/A ASN 154.A ND2 PHE 175.A O no hydrogen 2.130 N/A ARG 156.A N CYS 153.A O no hydrogen 2.713 N/A TRP 157.A NE1 HIS 150.A ND1 no hydrogen 2.990 N/A VAL 158.A N LEU 151.A O no hydrogen 2.552 N/A GLY 159.A N LEU 151.A O no hydrogen 3.365 N/A TYR 160.A N LEU 23.A O no hydrogen 2.901 N/A TYR 160.A OH GLN 162.A OE1 no hydrogen 3.327 N/A GLY 161.A N PHE 149.A O no hydrogen 3.198 N/A GLN 162.A NE2 GLN 162.A O no hydrogen 2.930 N/A GLN 162.A NE2 SER 191.A OG no hydrogen 3.063 N/A SER 164.A OG GLU 197.A OE2 no hydrogen 3.514 N/A LEU 166.A N ASP 163.A OD2 no hydrogen 3.151 N/A SER 168.A N PHE 142.A O no hydrogen 3.079 N/A PHE 170.A N ILE 140.A O no hydrogen 2.972 N/A LEU 172.A N THR 138.A O no hydrogen 2.656 N/A SER 173.A N ASP 171.A OD1 no hydrogen 2.694 N/A SER 173.A OG THR 138.A O no hydrogen 3.392 N/A SER 173.A OG ASP 171.A OD1 no hydrogen 2.477 N/A LEU 176.A N LEU 172.A O no hydrogen 2.932 N/A ARG 177.A NH1 GLU 180.A O no hydrogen 1.830 N/A ARG 177.A NH2 GLU 180.A OE2 no hydrogen 3.366 N/A ASN 181.A N PHE 126.A O no hydrogen 2.669 N/A ASN 181.A ND2 ARG 177.A O no hydrogen 3.172 N/A LEU 183.A N LEU 124.A O no hydrogen 2.427 N/A ALA 184.A N TRP 152.A O no hydrogen 2.985 N/A VAL 185.A N TYR 122.A O no hydrogen 2.589 N/A MET 186.A N HIS 150.A O no hydrogen 3.034 N/A VAL 187.A N GLY 120.A O no hydrogen 2.912 N/A LEU 188.A N ALA 148.A O no hydrogen 2.976 N/A ARG 189.A N PRO 118.A O no hydrogen 3.108 N/A ARG 189.A NE SER 205.A OG no hydrogen 3.344 N/A ARG 189.A NH1 ALA 96.A O no hydrogen 3.504 N/A SER 191.A N SER 194.A OG no hydrogen 2.656 N/A SER 191.A OG SER 194.A OG no hydrogen 3.121 N/A SER 194.A N SER 191.A O no hydrogen 2.920 N/A SER 194.A OG SER 191.A O no hydrogen 3.036 N/A SER 194.A OG SER 191.A OG no hydrogen 3.121 N/A TYR 195.A N ASP 192.A O no hydrogen 3.430 N/A TYR 195.A OH THR 107.A O no hydrogen 3.218 N/A LEU 196.A N GLY 193.A O no hydrogen 2.917 N/A GLU 197.A N SER 194.A O no hydrogen 3.259 N/A ASP 198.A N GLU 415.A O no hydrogen 2.817 N/A GLN 199.A NE2 HIS 390.A O no hydrogen 2.963 N/A ARG 203.A N ILE 98.A O no hydrogen 3.134 N/A ARG 203.A NH2 THR 100.A O no hydrogen 3.347 N/A ARG 203.A NH2 ASP 198.A OD1 no hydrogen 3.114 N/A ARG 209.A NH1 PRO 392.A O no hydrogen 3.496 N/A ARG 209.A NH2 GLU 357.A OE1 no hydrogen 3.090 N/A ARG 209.A NH2 PRO 392.A O no hydrogen 3.509 N/A SER 212.A N ILE 141.A O no hydrogen 2.857 N/A LEU 213.A N ARG 51.A O no hydrogen 2.489 N/A LEU 214.A N ARG 139.A O no hydrogen 3.123 N/A LYS 216.A N GLN 137.A O no hydrogen 2.868 N/A LYS 216.A NZ ILE 221.A O no hydrogen 3.474 N/A LYS 216.A NZ GLU 323.A OE1 no hydrogen 3.200 N/A LYS 216.A NZ GLU 325.A OE1 no hydrogen 3.182 N/A GLN 220.A NE2 GLN 220.A O no hydrogen 2.247 N/A ASP 223.A N GLN 244.A O no hydrogen 3.436 N/A HIS 225.A N GLU 242.A O no hydrogen 2.598 N/A HIS 225.A NE2 ASP 223.A OD2 no hydrogen 2.148 N/A ALA 227.A N GLU 240.A O no hydrogen 3.012 N/A ARG 229.A N VAL 238.A O no hydrogen 2.600 N/A ARG 229.A NH2 GLU 240.A OE2 no hydrogen 2.123 N/A ASN 231.A N ARG 236.A O no hydrogen 3.093 N/A ARG 236.A NE GLU 295.A OE2 no hydrogen 3.202 N/A ALA 237.A N VAL 294.A O no hydrogen 2.485 N/A VAL 238.A N ARG 229.A O no hydrogen 2.465 N/A LEU 239.A N LEU 292.A O no hydrogen 2.703 N/A GLU 240.A N ALA 227.A O no hydrogen 3.077 N/A ALA 241.A N LEU 290.A O no hydrogen 2.700 N/A GLU 242.A N HIS 225.A O no hydrogen 2.829 N/A VAL 243.A N VAL 288.A O no hydrogen 3.109 N/A GLN 244.A N ASP 223.A O no hydrogen 2.706 N/A MET 245.A N ASP 286.A O no hydrogen 3.269 N/A CYS 246.A N GLN 220.A O no hydrogen 2.711 N/A CYS 246.A SG GLN 220.A OE1 no hydrogen 3.919 N/A ARG 250.A NH1 TYR 252.A OH no hydrogen 3.358 N/A LEU 253.A N ARG 250.A O no hydrogen 3.249 N/A ARG 254.A N HIS 315.A O no hydrogen 2.924 N/A VAL 255.A N ALA 271.A O no hydrogen 3.083 N/A THR 256.A N GLU 313.A O no hydrogen 2.789 N/A THR 256.A OG1 THR 270.A OG1 no hydrogen 3.311 N/A THR 256.A OG1 HIS 315.A NE2 no hydrogen 2.385 N/A VAL 257.A N GLY 269.A O no hydrogen 2.305 N/A SER 258.A N VAL 311.A O no hydrogen 3.056 N/A LEU 259.A N ALA 267.A O no hydrogen 2.738 N/A TRP 260.A N ARG 309.A O no hydrogen 2.527 N/A GLN 261.A N THR 264.A O no hydrogen 3.007 N/A THR 264.A N GLN 261.A O no hydrogen 2.966 N/A THR 264.A OG1 GLN 261.A O no hydrogen 3.454 N/A VAL 266.A N LEU 259.A O no hydrogen 2.929 N/A GLY 269.A N VAL 257.A O no hydrogen 2.378 N/A THR 270.A OG1 THR 256.A OG1 no hydrogen 3.311 N/A ALA 271.A N VAL 255.A O no hydrogen 2.871 N/A VAL 288.A N VAL 243.A O no hydrogen 3.259 N/A LEU 290.A N ALA 241.A O no hydrogen 2.950 N/A ARG 291.A NE GLU 240.A OE1 no hydrogen 2.967 N/A LEU 292.A N LEU 239.A O no hydrogen 2.472 N/A VAL 294.A N ALA 237.A O no hydrogen 2.803 N/A ASN 296.A N SER 235.A O no hydrogen 2.055 N/A LYS 298.A N TYR 308.A OH no hydrogen 2.781 N/A TRP 300.A N PHE 331.A O no hydrogen 2.815 N/A TRP 300.A NE1 ASP 402.A O no hydrogen 2.680 N/A SER 301.A N ILE 304.A O no hydrogen 2.532 N/A SER 301.A OG LEU 299.A O no hydrogen 3.120 N/A ALA 302.A N TYR 407.A OH no hydrogen 3.405 N/A GLU 303.A N GLU 303.A OE1 no hydrogen 2.712 N/A ASN 306.A ND2 LEU 299.A O no hydrogen 2.758 N/A TYR 308.A N VAL 329.A O no hydrogen 2.542 N/A ARG 309.A N TRP 260.A O no hydrogen 2.546 N/A ARG 309.A NE ALA 41.A O no hydrogen 3.176 N/A ARG 309.A NH2 ALA 41.A O no hydrogen 2.817 N/A ALA 310.A N CYS 327.A O no hydrogen 3.063 N/A VAL 311.A N SER 258.A O no hydrogen 2.943 N/A VAL 312.A N GLU 325.A O no hydrogen 2.332 N/A GLU 313.A N THR 256.A O no hydrogen 2.901 N/A LEU 314.A N GLU 323.A O no hydrogen 3.067 N/A HIS 315.A N ARG 254.A O no hydrogen 2.899 N/A HIS 315.A ND1 THR 316.A O no hydrogen 3.323 N/A HIS 315.A NE2 THR 256.A OG1 no hydrogen 2.385 N/A THR 316.A N THR 320.A O no hydrogen 2.092 N/A THR 316.A OG1 THR 320.A O no hydrogen 2.593 N/A THR 316.A OG1 THR 320.A OG1 no hydrogen 2.975 N/A THR 320.A OG1 THR 316.A OG1 no hydrogen 2.975 N/A GLU 323.A N LEU 314.A O no hydrogen 3.401 N/A GLU 325.A N VAL 312.A O no hydrogen 2.526 N/A CYS 327.A N ALA 310.A O no hydrogen 2.663 N/A VAL 329.A N TYR 308.A O no hydrogen 2.719 N/A ARG 332.A NE PRO 450.A O no hydrogen 2.295 N/A ARG 332.A NH1 ARG 332.A O no hydrogen 2.897 N/A ARG 332.A NH2 VAL 452.A O no hydrogen 2.806 N/A GLU 333.A N ASN 344.A OD1 no hydrogen 2.630 N/A ARG 335.A N LEU 342.A O no hydrogen 2.915 N/A GLU 337.A N LEU 340.A O no hydrogen 3.056 N/A LEU 340.A N GLU 337.A O no hydrogen 2.942 N/A LEU 342.A N ARG 335.A O no hydrogen 2.717 N/A LEU 343.A N LYS 346.A O no hydrogen 3.000 N/A ASN 344.A N GLU 333.A O no hydrogen 2.705 N/A ASN 344.A ND2 TRP 300.A O no hydrogen 3.445 N/A LYS 346.A N LEU 343.A O no hydrogen 2.887 N/A LYS 346.A NZ GLY 345.A O no hydrogen 3.433 N/A LEU 348.A N LEU 341.A O no hydrogen 3.413 N/A ILE 350.A N GLN 562.A O no hydrogen 2.527 N/A ARG 351.A N ASN 384.A OD1 no hydrogen 3.429 N/A ASN 354.A N VAL 566.A O no hydrogen 2.528 N/A ASN 354.A ND2 CYS 535.A O no hydrogen 3.220 N/A ARG 355.A N ARG 387.A O no hydrogen 2.502 N/A ARG 355.A NH2 ASP 374.A OD2 no hydrogen 2.830 N/A GLU 357.A N TYR 391.A OH no hydrogen 2.530 N/A HIS 358.A NE2 SER 573.A O no hydrogen 2.870 N/A HIS 359.A N GLY 363.A O no hydrogen 2.581 N/A THR 370.A N ASP 367.A O no hydrogen 3.051 N/A THR 370.A OG1 ASP 367.A O no hydrogen 3.238 N/A VAL 372.A N GLU 368.A O no hydrogen 3.500 N/A GLN 373.A N GLN 369.A O no hydrogen 2.790 N/A ASP 374.A N THR 370.A O no hydrogen 2.623 N/A ILE 375.A N MET 371.A O no hydrogen 2.619 N/A LEU 376.A N VAL 372.A O no hydrogen 2.946 N/A LEU 377.A N GLN 373.A O no hydrogen 3.361 N/A MET 378.A N ASP 374.A O no hydrogen 3.197 N/A LYS 379.A N ILE 375.A O no hydrogen 3.036 N/A LYS 379.A NZ ALA 302.A O no hydrogen 3.284 N/A GLN 380.A N LEU 376.A O no hydrogen 2.603 N/A GLN 380.A NE2 TRP 707.A O no hydrogen 2.797 N/A ASN 381.A N LEU 377.A O no hydrogen 2.796 N/A ASN 381.A ND2 LEU 377.A O no hydrogen 2.098 N/A ASN 382.A N LYS 379.A O no hydrogen 3.380 N/A ASN 382.A ND2 LYS 620.A O no hydrogen 2.591 N/A ASN 382.A ND2 SER 714.A O no hydrogen 3.172 N/A PHE 383.A N MET 378.A O no hydrogen 2.756 N/A ALA 385.A N ARG 351.A O no hydrogen 2.947 N/A VAL 386.A N TYR 407.A O no hydrogen 2.695 N/A ARG 387.A N VAL 353.A O no hydrogen 3.470 N/A CYS 388.A SG TYR 391.A O no hydrogen 3.872 N/A CYS 388.A SG VAL 409.A O no hydrogen 3.408 N/A SER 389.A N ARG 355.A O no hydrogen 3.143 N/A ASN 393.A N TYR 398.A OH no hydrogen 3.152 N/A LEU 396.A N HIS 394.A ND1 no hydrogen 2.719 N/A TRP 397.A N HIS 394.A O no hydrogen 2.815 N/A LEU 400.A N LEU 396.A O no hydrogen 3.194 N/A CYS 401.A N TRP 397.A O no hydrogen 3.275 N/A CYS 401.A SG TRP 397.A O no hydrogen 3.390 N/A ASP 402.A N TYR 398.A O no hydrogen 3.276 N/A ARG 403.A N THR 399.A O no hydrogen 3.292 N/A TYR 404.A N LEU 400.A O no hydrogen 2.767 N/A GLY 405.A N CYS 401.A O no hydrogen 2.842 N/A TYR 407.A N ASN 384.A O no hydrogen 2.713 N/A VAL 408.A N SER 451.A O no hydrogen 3.520 N/A VAL 409.A N VAL 386.A O no hydrogen 3.245 N/A ASP 410.A N ILE 454.A O no hydrogen 3.324 N/A ALA 412.A N SER 456.A O no hydrogen 2.588 N/A ASN 413.A ND2 GLU 197.A OE1 no hydrogen 2.972 N/A ILE 414.A N ALA 412.A O no hydrogen 2.882 N/A GLU 415.A N LEU 196.A O no hydrogen 2.765 N/A THR 416.A OG1 LEU 196.A O no hydrogen 3.434 N/A HIS 417.A ND1 GLU 415.A OE2 no hydrogen 2.597 N/A ARG 424.A N PRO 421.A O no hydrogen 3.213 N/A ARG 424.A NH2 VAL 420.A O no hydrogen 2.191 N/A THR 426.A OG1 ASN 423.A O no hydrogen 2.761 N/A THR 426.A OG1 SER 461.A O no hydrogen 3.077 N/A ASP 427.A N ASN 423.A O no hydrogen 2.507 N/A ASP 428.A N ARG 424.A O no hydrogen 3.073 N/A ARG 430.A N ASP 428.A OD1 no hydrogen 3.297 N/A TRP 431.A N ASP 428.A OD2 no hydrogen 3.315 N/A LEU 432.A N PRO 429.A O no hydrogen 3.311 N/A MET 435.A N TRP 431.A O no hydrogen 2.941 N/A SER 436.A N LEU 432.A O no hydrogen 2.624 N/A SER 436.A OG LEU 432.A O no hydrogen 2.824 N/A SER 436.A OG PRO 433.A O no hydrogen 2.335 N/A ARG 438.A NH1 ASP 163.A OD1 no hydrogen 2.371 N/A THR 440.A N SER 436.A O no hydrogen 2.628 N/A THR 440.A OG1 SER 436.A O no hydrogen 2.936 N/A ARG 441.A N GLU 437.A O no hydrogen 2.702 N/A MET 442.A N ARG 438.A O no hydrogen 3.379 N/A VAL 443.A N VAL 439.A O no hydrogen 3.329 N/A ARG 445.A N ARG 441.A O no hydrogen 3.445 N/A ARG 445.A NE ASP 446.A OD1 no hydrogen 2.266 N/A ARG 445.A NH1 ASN 393.A O no hydrogen 2.844 N/A ARG 445.A NH1 ASP 446.A OD2 no hydrogen 3.197 N/A ASP 446.A N MET 442.A O no hydrogen 3.048 N/A ASN 448.A ND2 PHE 224.A O no hydrogen 3.407 N/A SER 451.A N ASP 402.A OD1 no hydrogen 3.065 N/A SER 451.A N ASP 402.A OD2 no hydrogen 3.320 N/A ILE 453.A N VAL 408.A O no hydrogen 3.093 N/A TRP 455.A N PRO 482.A O no hydrogen 3.072 N/A TRP 455.A NE1 ASP 478.A OD2 no hydrogen 2.729 N/A SER 456.A N ASP 410.A O no hydrogen 2.999 N/A SER 456.A OG GLN 484.A O no hydrogen 3.378 N/A ASN 459.A N ILE 414.A O no hydrogen 3.116 N/A SER 461.A OG ILE 414.A O no hydrogen 3.261 N/A SER 461.A OG ASN 459.A O no hydrogen 3.214 N/A ASN 466.A ND2 ASP 428.A O no hydrogen 3.473 N/A HIS 467.A N GLY 464.A O no hydrogen 3.119 N/A ALA 469.A N ALA 465.A O no hydrogen 3.032 N/A LEU 470.A N ASN 466.A O no hydrogen 2.559 N/A TYR 471.A N HIS 467.A O no hydrogen 2.727 N/A TYR 471.A OH ASP 496.A OD1 no hydrogen 1.773 N/A ARG 472.A N ASP 468.A O no hydrogen 3.239 N/A TRP 473.A N ALA 469.A O no hydrogen 3.148 N/A ILE 474.A N LEU 470.A O no hydrogen 3.128 N/A LYS 475.A N TYR 471.A O no hydrogen 3.319 N/A LYS 475.A NZ TYR 471.A OH no hydrogen 3.036 N/A LYS 475.A NZ ASP 496.A OD2 no hydrogen 2.098 N/A SER 476.A N ARG 472.A O no hydrogen 3.085 N/A VAL 477.A N TRP 473.A O no hydrogen 2.874 N/A ASP 478.A N ILE 474.A O no hydrogen 2.775 N/A SER 480.A N ASP 478.A OD1 no hydrogen 2.443 N/A SER 480.A OG ASP 478.A OD1 no hydrogen 1.912 N/A ARG 481.A NH1 HIS 449.A O no hydrogen 3.470 N/A ARG 481.A NH2 HIS 449.A O no hydrogen 3.463 N/A VAL 483.A N ASP 496.A OD2 no hydrogen 3.300 N/A GLN 484.A N TRP 455.A O no hydrogen 2.993 N/A TYR 485.A N THR 495.A OG1 no hydrogen 2.800 N/A TYR 485.A OH GLY 462.A O no hydrogen 1.787 N/A THR 492.A OG1 GLY 487.A O no hydrogen 3.290 N/A THR 493.A OG1 ASP 468.A OD2 no hydrogen 3.021 N/A THR 495.A OG1 ILE 497.A O no hydrogen 2.627 N/A ASP 496.A N VAL 483.A O no hydrogen 2.542 N/A CYS 499.A SG ILE 497.A O no hydrogen 3.887 N/A TYR 502.A N GLU 536.A O no hydrogen 2.983 N/A ARG 504.A NH1 GLU 507.A OE2 no hydrogen 3.241 N/A ARG 504.A NH2 PRO 1000.A O no hydrogen 2.790 N/A GLN 509.A N GLN 509.A OE1 no hydrogen 2.429 N/A PHE 511.A N VAL 514.A O no hydrogen 3.364 N/A VAL 514.A N PHE 511.A O no hydrogen 2.516 N/A LYS 516.A N GLN 509.A O no hydrogen 3.198 N/A LYS 516.A NZ MET 501.A O no hydrogen 3.273 N/A LYS 521.A N SER 518.A OG no hydrogen 3.196 N/A TRP 522.A N SER 518.A O no hydrogen 2.781 N/A LEU 523.A N ILE 519.A O no hydrogen 3.341 N/A SER 524.A OG LYS 521.A O no hydrogen 2.698 N/A LEU 525.A N TRP 522.A O no hydrogen 3.376 N/A GLU 528.A N LEU 525.A O no hydrogen 3.228 N/A ARG 530.A N GLU 528.A OE2 no hydrogen 3.356 N/A ARG 530.A NE GLU 528.A OE2 no hydrogen 2.839 N/A ARG 530.A NH1 THR 492.A O no hydrogen 2.829 N/A ARG 530.A NH1 THR 495.A O no hydrogen 2.834 N/A ARG 530.A NH2 ASP 491.A O no hydrogen 3.164 N/A ARG 530.A NH2 GLU 528.A OE1 no hydrogen 3.310 N/A ARG 530.A NH2 GLU 528.A OE2 no hydrogen 3.424 N/A ILE 533.A N ILE 498.A O no hydrogen 2.800 N/A CYS 535.A SG CYS 499.A O no hydrogen 2.962 N/A HIS 539.A ND1 SER 997.A OG no hydrogen 2.587 N/A ALA 540.A N TRP 567.A O no hydrogen 2.907 N/A GLY 546.A N GLY 993.A O no hydrogen 3.126 N/A GLY 547.A N ASP 907.A O no hydrogen 3.328 N/A PHE 548.A N LEU 545.A O no hydrogen 2.824 N/A LYS 550.A N GLY 547.A O no hydrogen 3.200 N/A LYS 550.A NZ ASP 506.A OD2 no hydrogen 2.877 N/A LYS 550.A NZ SER 1003.A OG no hydrogen 3.384 N/A TYR 551.A OH ALA 503.A O no hydrogen 1.490 N/A TYR 551.A OH ASP 995.A OD2 no hydrogen 1.969 N/A TRP 552.A N PHE 548.A O no hydrogen 3.336 N/A GLN 553.A N ALA 549.A O no hydrogen 2.782 N/A ALA 554.A N LYS 550.A O no hydrogen 3.105 N/A PHE 555.A N TYR 551.A O no hydrogen 3.099 N/A ARG 556.A N TRP 552.A O no hydrogen 3.190 N/A ARG 556.A NH1 GLN 622.A O no hydrogen 3.218 N/A ARG 556.A NH2 GLN 622.A O no hydrogen 3.352 N/A GLN 557.A N GLN 553.A O no hydrogen 3.191 N/A TYR 558.A N ALA 554.A O no hydrogen 3.040 N/A ARG 560.A NE THR 529.A O no hydrogen 3.312 N/A ARG 560.A NH1 LEU 523.A O no hydrogen 3.153 N/A ARG 560.A NH1 GLU 528.A O no hydrogen 3.313 N/A ARG 560.A NH2 GLU 528.A O no hydrogen 2.690 N/A ARG 560.A NH2 ARG 530.A O no hydrogen 3.356 N/A GLN 562.A N LEU 532.A O no hydrogen 3.187 N/A GLN 562.A NE2 ARG 560.A O no hydrogen 3.577 N/A PHE 565.A N LEU 534.A O no hydrogen 3.239 N/A VAL 566.A N GLY 352.A O no hydrogen 2.117 N/A TRP 567.A NE1 ASN 603.A OD1 no hydrogen 2.236 N/A TRP 569.A N ASN 354.A O no hydrogen 3.015 N/A TRP 569.A NE1 ASP 374.A OD1 no hydrogen 1.754 N/A ASP 571.A N VAL 606.A O no hydrogen 3.298 N/A GLN 572.A N MET 602.A O no hydrogen 2.874 N/A LEU 574.A N ALA 586.A O no hydrogen 3.488 N/A LYS 576.A N TRP 584.A O no hydrogen 3.178 N/A ASP 578.A N ASN 582.A O no hydrogen 3.106 N/A TRP 584.A N LYS 576.A O no hydrogen 2.996 N/A ALA 586.A N LEU 574.A O no hydrogen 3.110 N/A TYR 587.A OH SER 970.A O no hydrogen 3.178 N/A ASP 590.A N GLY 588.A O no hydrogen 2.928 N/A GLY 592.A N GLY 589.A O no hydrogen 3.061 N/A ASN 596.A ND2 GLY 589.A O no hydrogen 3.170 N/A CYS 601.A N ARG 598.A O no hydrogen 3.491 N/A CYS 601.A SG GLN 572.A O no hydrogen 3.883 N/A CYS 601.A SG ARG 598.A O no hydrogen 2.805 N/A MET 602.A N GLN 599.A O no hydrogen 3.294 N/A ASN 603.A ND2 PHE 600.A O no hydrogen 2.311 N/A LEU 605.A N ASP 568.A O no hydrogen 2.530 N/A VAL 606.A N TRP 569.A O no hydrogen 2.966 N/A PHE 607.A N THR 611.A O no hydrogen 2.140 N/A ARG 610.A NE ALA 608.A O no hydrogen 2.625 N/A ARG 610.A NH2 HIS 358.A O no hydrogen 3.179 N/A ARG 610.A NH2 ALA 608.A O no hydrogen 3.188 N/A THR 611.A N PHE 607.A O no hydrogen 3.139 N/A THR 611.A OG1 ASP 609.A OD1 no hydrogen 2.811 N/A THR 611.A OG1 ASP 609.A OD2 no hydrogen 3.355 N/A HIS 613.A N LEU 605.A O no hydrogen 3.069 N/A HIS 613.A ND1 GLY 604.A O no hydrogen 2.554 N/A LEU 616.A N HIS 613.A O no hydrogen 2.531 N/A ALA 619.A N ALA 615.A O no hydrogen 3.207 N/A LYS 620.A N LEU 616.A O no hydrogen 3.091 N/A LYS 620.A NZ ILE 713.A O no hydrogen 3.416 N/A HIS 621.A N THR 617.A O no hydrogen 3.116 N/A HIS 621.A ND1 GLN 624.A OE1 no hydrogen 2.876 N/A GLN 622.A N GLU 618.A O no hydrogen 3.188 N/A GLN 623.A N ALA 619.A O no hydrogen 2.917 N/A GLN 627.A N THR 638.A O no hydrogen 2.731 N/A ARG 629.A N GLU 636.A O no hydrogen 3.009 N/A SER 631.A N THR 634.A O no hydrogen 3.211 N/A THR 634.A OG1 GLU 680.A OE2 no hydrogen 3.454 N/A ILE 635.A N ILE 679.A O no hydrogen 2.527 N/A GLU 636.A N ARG 629.A O no hydrogen 2.937 N/A VAL 637.A N GLN 677.A O no hydrogen 2.682 N/A THR 638.A N GLN 627.A O no hydrogen 2.713 N/A SER 639.A N GLY 675.A O no hydrogen 2.980 N/A SER 646.A N VAL 671.A O no hydrogen 3.044 N/A SER 646.A OG VAL 671.A O no hydrogen 2.866 N/A ASP 647.A N HIS 645.A O no hydrogen 2.799 N/A LEU 650.A N VAL 700.A O no hydrogen 2.709 N/A LEU 651.A N VAL 667.A O no hydrogen 2.908 N/A HIS 652.A N ARG 698.A O no hydrogen 2.986 N/A TRP 653.A N GLY 665.A O no hydrogen 2.309 N/A MET 654.A N THR 696.A O no hydrogen 2.924 N/A VAL 655.A N ALA 663.A O no hydrogen 2.464 N/A ALA 656.A N TRP 694.A O no hydrogen 3.046 N/A LEU 657.A N LYS 660.A O no hydrogen 1.873 N/A LYS 660.A N LEU 657.A O no hydrogen 2.842 N/A ALA 663.A N VAL 655.A O no hydrogen 3.044 N/A GLY 665.A N TRP 653.A O no hydrogen 2.177 N/A VAL 667.A N LEU 651.A O no hydrogen 2.635 N/A LEU 669.A N GLU 649.A O no hydrogen 3.190 N/A ASP 670.A N GLN 677.A OE1 no hydrogen 2.745 N/A VAL 671.A N SER 646.A OG no hydrogen 2.685 N/A GLY 675.A N ALA 672.A O no hydrogen 2.523 N/A GLN 677.A N VAL 637.A O no hydrogen 2.742 N/A GLN 677.A NE2 PRO 668.A O no hydrogen 3.607 N/A ILE 679.A N ILE 635.A O no hydrogen 2.550 N/A LEU 684.A N GLN 633.A OE1 no hydrogen 3.152 N/A LEU 684.A N GLU 683.A OE1 no hydrogen 2.085 N/A SER 689.A OG ALA 690.A O no hydrogen 3.313 N/A TRP 694.A N ALA 656.A O no hydrogen 2.842 N/A LEU 695.A N TRP 719.A O no hydrogen 2.825 N/A THR 696.A N MET 654.A O no hydrogen 3.044 N/A VAL 697.A N GLN 717.A O no hydrogen 2.680 N/A ARG 698.A N HIS 652.A O no hydrogen 2.991 N/A VAL 699.A N ALA 715.A O no hydrogen 2.471 N/A VAL 700.A N LEU 650.A O no hydrogen 2.739 N/A GLN 701.A N HIS 712.A O no hydrogen 2.784 N/A GLY 711.A N GLN 701.A O no hydrogen 2.698 N/A HIS 712.A N GLU 709.A O no hydrogen 3.095 N/A SER 714.A OG VAL 699.A O no hydrogen 3.276 N/A ALA 715.A N VAL 699.A O no hydrogen 3.500 N/A GLN 717.A N VAL 697.A O no hydrogen 2.384 N/A GLN 718.A N GLN 717.A OE1 no hydrogen 2.735 N/A GLN 718.A NE2 PHE 914.A O no hydrogen 2.949 N/A TRP 719.A N LEU 695.A O no hydrogen 2.770 N/A LEU 721.A N LEU 693.A O no hydrogen 2.605 N/A ASN 724.A ND2 GLU 688.A O no hydrogen 3.296 N/A THR 728.A N SER 726.A OG no hydrogen 3.422 N/A THR 728.A OG1 SER 726.A OG no hydrogen 2.711 N/A HIS 738.A N GLU 749.A O no hydrogen 2.834 N/A THR 740.A N CYS 747.A O no hydrogen 2.533 N/A THR 740.A OG1 CYS 747.A O no hydrogen 3.522 N/A THR 740.A OG1 GLU 749.A OE2 no hydrogen 3.458 N/A SER 742.A N ASP 745.A O no hydrogen 2.959 N/A SER 742.A OG ASP 745.A O no hydrogen 2.482 N/A ASP 745.A N SER 742.A OG no hydrogen 3.332 N/A PHE 746.A N PHE 757.A O no hydrogen 2.362 N/A CYS 747.A N THR 740.A O no hydrogen 2.831 N/A CYS 747.A SG GLU 749.A OE2 no hydrogen 1.869 N/A ILE 748.A N TRP 755.A O no hydrogen 2.634 N/A GLU 749.A N HIS 738.A O no hydrogen 2.593 N/A LEU 750.A N LYS 753.A O no hydrogen 3.071 N/A ARG 754.A N TRP 768.A O no hydrogen 3.021 N/A ARG 754.A NH1 GLU 749.A OE2 no hydrogen 3.160 N/A TRP 755.A N ILE 748.A O no hydrogen 2.610 N/A GLN 756.A N GLN 766.A O no hydrogen 2.888 N/A PHE 757.A N PHE 746.A O no hydrogen 2.536 N/A ASN 758.A N PHE 763.A O no hydrogen 3.239 N/A GLN 760.A N ASN 758.A OD1 no hydrogen 2.780 N/A SER 761.A OG ASN 758.A O no hydrogen 3.067 N/A GLY 762.A N ASN 758.A O no hydrogen 2.577 N/A PHE 763.A N SER 761.A OG no hydrogen 2.948 N/A TRP 768.A N ARG 754.A O no hydrogen 2.494 N/A ILE 769.A N LYS 772.A O no hydrogen 3.183 N/A GLN 774.A N MET 767.A O no hydrogen 2.846 N/A THR 777.A N GLN 886.A O no hydrogen 3.496 N/A LEU 779.A N LEU 764.A O no hydrogen 3.368 N/A GLN 782.A N GLY 882.A O no hydrogen 2.245 N/A ASN 790.A ND2 ASN 543.A O no hydrogen 2.658 N/A ASN 790.A ND2 ILE 992.A O no hydrogen 3.032 N/A ILE 792.A N LEU 788.A O no hydrogen 3.128 N/A ILE 792.A N ASP 791.A OD1 no hydrogen 2.436 N/A GLY 793.A N ASP 789.A O no hydrogen 2.941 N/A SER 795.A N ILE 792.A O no hydrogen 3.097 N/A SER 795.A OG GLU 807.A OE2 no hydrogen 2.397 N/A GLU 796.A N ARG 799.A O no hydrogen 3.390 N/A ASN 803.A N ASP 801.A OD1 no hydrogen 2.567 N/A VAL 806.A N ASP 791.A O no hydrogen 3.345 N/A ARG 808.A N ALA 804.A O no hydrogen 3.078 N/A TRP 809.A N TRP 805.A O no hydrogen 2.989 N/A TRP 809.A NE1 HIS 877.A O no hydrogen 2.895 N/A LYS 810.A N VAL 806.A O no hydrogen 2.714 N/A ALA 811.A N GLU 807.A O no hydrogen 2.731 N/A ALA 812.A N ARG 808.A O no hydrogen 2.954 N/A GLY 813.A N LYS 810.A O no hydrogen 3.234 N/A HIS 814.A N TRP 809.A O no hydrogen 3.072 N/A HIS 814.A NE2 THR 875.A OG1 no hydrogen 2.925 N/A HIS 814.A NE2 PRO 876.A O no hydrogen 3.118 N/A TYR 815.A OH ARG 785.A O no hydrogen 3.131 N/A ALA 820.A N ALA 840.A O no hydrogen 3.106 N/A LEU 822.A N ALA 838.A O no hydrogen 2.729 N/A GLN 823.A N ALA 838.A O no hydrogen 3.223 N/A GLN 823.A NE2 THR 836.A O no hydrogen 3.457 N/A CYS 824.A SG THR 836.A O no hydrogen 3.946 N/A THR 825.A N THR 836.A O no hydrogen 2.931 N/A ASP 827.A N LEU 834.A O no hydrogen 3.029 N/A VAL 833.A N ILE 857.A O no hydrogen 3.222 N/A LEU 834.A N ASP 827.A O no hydrogen 2.857 N/A ILE 835.A N TYR 855.A O no hydrogen 2.521 N/A THR 836.A N THR 825.A O no hydrogen 3.323 N/A THR 837.A N LYS 853.A O no hydrogen 2.605 N/A THR 837.A OG1 GLY 762.A O no hydrogen 3.531 N/A ALA 838.A N GLN 823.A O no hydrogen 2.771 N/A HIS 839.A N SER 851.A O no hydrogen 2.685 N/A ALA 840.A N ALA 820.A O no hydrogen 2.979 N/A TRP 841.A N PHE 849.A O no hydrogen 2.783 N/A HIS 843.A N LYS 846.A O no hydrogen 2.672 N/A LYS 846.A N HIS 843.A O no hydrogen 2.927 N/A ILE 850.A N GLU 870.A O no hydrogen 2.844 N/A SER 851.A N HIS 839.A O no hydrogen 2.686 N/A SER 851.A OG ASP 781.A OD2 no hydrogen 2.279 N/A ARG 852.A N ASP 868.A O no hydrogen 2.818 N/A LYS 853.A N THR 837.A O no hydrogen 2.699 N/A LYS 853.A NZ ASP 781.A OD1 no hydrogen 2.474 N/A THR 854.A N THR 866.A O no hydrogen 3.112 N/A THR 854.A OG1 THR 866.A OG1 no hydrogen 2.600 N/A TYR 855.A N ILE 835.A O no hydrogen 2.482 N/A ARG 856.A N ALA 864.A O no hydrogen 3.102 N/A ARG 856.A NH1 ASP 858.A OD1 no hydrogen 2.977 N/A ILE 857.A N VAL 833.A O no hydrogen 2.724 N/A ASP 858.A N GLN 862.A O no hydrogen 3.100 N/A GLY 861.A N ASP 858.A O no hydrogen 2.774 N/A GLN 862.A N SER 860.A OG no hydrogen 3.008 N/A MET 863.A N TRP 1019.A O no hydrogen 2.780 N/A ALA 864.A N ARG 856.A O no hydrogen 3.102 N/A ILE 865.A N LEU 1017.A O no hydrogen 2.639 N/A THR 866.A N THR 854.A O no hydrogen 3.216 N/A THR 866.A OG1 THR 854.A O no hydrogen 3.505 N/A VAL 867.A N TYR 1015.A O no hydrogen 2.854 N/A ASP 868.A N ARG 852.A O no hydrogen 2.798 N/A VAL 869.A N TYR 1013.A O no hydrogen 2.793 N/A GLU 870.A N ILE 850.A O no hydrogen 2.766 N/A VAL 871.A N GLY 1011.A O no hydrogen 3.290 N/A ALA 872.A N LEU 848.A O no hydrogen 3.288 N/A THR 875.A OG1 PRO 876.A O no hydrogen 2.970 N/A ILE 881.A N PHE 988.A O no hydrogen 3.058 N/A GLY 882.A N GLN 782.A O no hydrogen 2.927 N/A LEU 883.A N ILE 985.A O no hydrogen 2.890 N/A ASN 884.A N ARG 780.A O no hydrogen 2.841 N/A CYS 885.A N LEU 983.A O no hydrogen 3.035 N/A LEU 887.A N THR 981.A O no hydrogen 3.105 N/A ALA 891.A N TYR 945.A OH no hydrogen 2.372 N/A VAL 894.A N LEU 919.A O no hydrogen 2.741 N/A ASN 895.A N ASN 944.A O no hydrogen 3.034 N/A TRP 896.A N TRP 917.A O no hydrogen 3.033 N/A TRP 896.A NE1 LEU 899.A O no hydrogen 3.298 N/A LEU 897.A N GLU 942.A O no hydrogen 2.764 N/A LEU 899.A N CYS 938.A O no hydrogen 3.373 N/A GLY 900.A N CYS 913.A O no hydrogen 2.918 N/A ASN 904.A N LEU 936.A O no hydrogen 2.861 N/A TYR 905.A N ARG 908.A O no hydrogen 3.365 N/A TYR 905.A OH GLU 933.A OE1 no hydrogen 2.583 N/A TYR 905.A OH GLU 933.A OE2 no hydrogen 2.005 N/A ARG 908.A NH2 GLU 903.A OE2 no hydrogen 3.326 N/A THR 910.A OG1 GLU 618.A OE2 no hydrogen 3.272 N/A CYS 913.A SG GLY 900.A O no hydrogen 3.888 N/A PHE 914.A N GLN 718.A OE1 no hydrogen 2.568 N/A ASP 915.A N GLY 898.A O no hydrogen 3.378 N/A ARG 916.A NH1 ASN 895.A OD1 no hydrogen 3.375 N/A ARG 916.A NH1 GLU 942.A OE2 no hydrogen 2.957 N/A TRP 917.A N TRP 896.A O no hydrogen 2.830 N/A LEU 919.A N VAL 894.A O no hydrogen 3.038 N/A LEU 921.A N GLU 892.A O no hydrogen 2.974 N/A SER 922.A OG ASP 923.A OD1 no hydrogen 3.196 N/A ASP 923.A N PRO 920.A O no hydrogen 2.958 N/A MET 924.A N LEU 921.A O no hydrogen 3.217 N/A GLU 933.A N ALA 786.A O no hydrogen 3.335 N/A ARG 937.A N PHE 956.A O no hydrogen 3.328 N/A ARG 937.A NH1 GLY 935.A O no hydrogen 3.353 N/A ARG 937.A NH2 PRO 901.A O no hydrogen 1.672 N/A THR 940.A N PHE 954.A O no hydrogen 3.333 N/A THR 940.A OG1 PHE 954.A O no hydrogen 2.575 N/A GLU 942.A N LEU 897.A O no hydrogen 3.411 N/A LEU 943.A N TRP 950.A O no hydrogen 2.752 N/A ASN 944.A N ASN 895.A O no hydrogen 2.588 N/A ASN 944.A ND2 GLN 949.A OE1 no hydrogen 3.637 N/A TYR 945.A N HIS 948.A O no hydrogen 3.312 N/A TYR 945.A OH ALA 891.A O no hydrogen 3.411 N/A GLN 949.A N CYS 1020.A O no hydrogen 2.592 N/A TRP 950.A N LEU 943.A O no hydrogen 2.729 N/A ARG 951.A N VAL 1018.A O no hydrogen 3.172 N/A GLY 952.A N ARG 941.A O no hydrogen 2.763 N/A PHE 954.A N THR 940.A O no hydrogen 3.366 N/A GLN 955.A N ASP 986.A O no hydrogen 2.831 N/A PHE 956.A N ARG 937.A O no hydrogen 3.130 N/A ASN 957.A N ASN 984.A O no hydrogen 3.115 N/A SER 959.A N TRP 982.A O no hydrogen 2.997 N/A SER 959.A OG TYR 961.A O no hydrogen 3.070 N/A GLN 965.A N SER 962.A OG no hydrogen 2.929 N/A GLN 965.A NE2 HIS 976.A O no hydrogen 2.744 N/A LEU 966.A N SER 962.A O no hydrogen 2.863 N/A MET 967.A N GLN 963.A O no hydrogen 3.111 N/A GLU 968.A N GLN 964.A O no hydrogen 3.177 N/A THR 969.A N GLN 965.A O no hydrogen 3.233 N/A THR 969.A OG1 GLN 965.A O no hydrogen 3.094 N/A SER 970.A OG HIS 971.A ND1 no hydrogen 1.954 N/A HIS 971.A ND1 SER 970.A OG no hydrogen 1.954 N/A HIS 971.A NE2 ASP 590.A OD1 no hydrogen 2.918 N/A ARG 972.A N VAL 929.A O no hydrogen 3.102 N/A LEU 975.A N ARG 972.A O no hydrogen 3.433 N/A THR 981.A N LEU 887.A O no hydrogen 2.710 N/A LEU 983.A N CYS 885.A O no hydrogen 2.886 N/A ASN 984.A N ASN 957.A O no hydrogen 3.037 N/A ILE 985.A N LEU 883.A O no hydrogen 3.239 N/A ASP 986.A N GLN 955.A O no hydrogen 2.690 N/A GLY 987.A N ILE 881.A O no hydrogen 2.938 N/A HIS 989.A NE2 GLU 933.A OE2 no hydrogen 3.287 N/A MET 990.A N ALA 879.A O no hydrogen 2.644 N/A GLY 993.A N ASP 907.A OD2 no hydrogen 3.156 N/A SER 997.A OG HIS 539.A ND1 no hydrogen 2.587 N/A SER 1009.A N GLN 1007.A O no hydrogen 3.055 N/A TYR 1013.A N VAL 869.A O no hydrogen 2.887 N/A TYR 1015.A N VAL 867.A O no hydrogen 3.165 N/A LEU 1017.A N ILE 865.A O no hydrogen 2.834 N/A VAL 1018.A N ARG 951.A O no hydrogen 2.794 N/A TRP 1019.A N MET 863.A O no hydrogen 2.453 N/A CYS 1020.A N GLN 949.A O no hydrogen 2.823 N/A CYS 1020.A SG GLN 1021.A O no hydrogen 3.323 N/A