Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5jup_DC.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N ILE 45.A O no hydrogen 3.339 N/A THR 4.A N GLN 7.A OE1 no hydrogen 3.124 N/A THR 4.A OG1 GLN 7.A OE1 no hydrogen 3.472 N/A GLN 7.A N THR 4.A O no hydrogen 2.627 N/A MET 8.A N THR 4.A O no hydrogen 3.233 N/A ARG 9.A N VAL 5.A O no hydrogen 3.205 N/A ARG 9.A NH1 ARG 9.A O no hydrogen 3.563 N/A SER 10.A N ASP 6.A O no hydrogen 2.941 N/A LEU 11.A N GLN 7.A O no hydrogen 2.688 N/A MET 12.A N MET 8.A O no hydrogen 2.677 N/A ASP 13.A N ARG 9.A O no hydrogen 3.211 N/A LYS 14.A N LEU 11.A O no hydrogen 3.282 N/A LYS 14.A NZ ASP 76.A O no hydrogen 2.802 N/A VAL 15.A N ASP 13.A O no hydrogen 3.114 N/A ASN 17.A N LYS 14.A O no hydrogen 2.793 N/A ARG 19.A N LEU 81.A O no hydrogen 2.661 N/A ARG 19.A NE LEU 324.A O no hydrogen 3.374 N/A ARG 19.A NH1 THR 16.A O no hydrogen 2.914 N/A ARG 19.A NH2 VAL 321.A O no hydrogen 3.238 N/A MET 21.A N ASN 83.A O no hydrogen 3.298 N/A ILE 24.A N LEU 108.A O no hydrogen 2.806 N/A HIS 29.A N HIS 26.A O no hydrogen 2.662 N/A LYS 31.A NZ SER 87.A O no hydrogen 2.734 N/A SER 32.A OG ASP 36.A OD2 no hydrogen 3.130 N/A THR 33.A OG1 GLY 30.A O no hydrogen 3.282 N/A THR 35.A N LYS 31.A O no hydrogen 2.673 N/A THR 35.A OG1 LYS 31.A O no hydrogen 3.156 N/A THR 35.A OG1 SER 32.A O no hydrogen 2.967 N/A THR 35.A OG1 ASP 86.A OD1 no hydrogen 3.278 N/A ASP 36.A N SER 32.A O no hydrogen 2.915 N/A SER 37.A N LEU 34.A O no hydrogen 2.857 N/A GLN 40.A N ASP 36.A O no hydrogen 3.352 N/A ARG 41.A NH2 ASP 314.A OD1 no hydrogen 3.170 N/A ALA 42.A N LEU 38.A O no hydrogen 2.703 N/A GLY 43.A N VAL 39.A O no hydrogen 3.106 N/A ALA 47.A N PHE 3.A O no hydrogen 2.685 N/A LYS 53.A NZ SER 496.A OG no hydrogen 3.357 N/A SER 54.A OG ASP 86.A O no hydrogen 2.870 N/A SER 54.A OG GLU 96.A OE1 no hydrogen 2.911 N/A THR 55.A OG1 GLY 421.A O no hydrogen 2.963 N/A LEU 59.A N ILE 82.A O no hydrogen 2.850 N/A TYR 60.A OH GLU 62.A OE1 no hydrogen 2.665 N/A SER 61.A N PHE 80.A O no hydrogen 3.252 N/A SER 64.A OG ASP 67.A OD2 no hydrogen 3.286 N/A ASP 67.A N SER 64.A O no hydrogen 2.971 N/A VAL 68.A N SER 64.A O no hydrogen 3.218 N/A GLN 73.A NE2 SER 326.A O no hydrogen 3.387 N/A THR 75.A OG1 GLN 73.A O no hydrogen 3.402 N/A ASP 76.A N THR 16.A OG1 no hydrogen 3.038 N/A SER 79.A N ASN 17.A OD1 no hydrogen 3.151 N/A PHE 80.A N SER 61.A O no hydrogen 3.305 N/A LEU 81.A N ASN 17.A O no hydrogen 2.881 N/A ILE 82.A N LEU 59.A O no hydrogen 2.747 N/A ASN 83.A N ARG 19.A O no hydrogen 2.667 N/A LEU 84.A N ILE 57.A O no hydrogen 2.747 N/A ILE 85.A N MET 21.A O no hydrogen 2.878 N/A ASP 86.A N THR 55.A O no hydrogen 3.435 N/A PHE 93.A N VAL 91.A O no hydrogen 2.284 N/A THR 98.A N SER 94.A O no hydrogen 3.109 N/A THR 98.A OG1 SER 94.A O no hydrogen 2.760 N/A ALA 99.A N SER 95.A O no hydrogen 3.089 N/A ALA 100.A N GLU 96.A O no hydrogen 2.725 N/A LEU 101.A N VAL 97.A O no hydrogen 3.114 N/A ARG 102.A N THR 98.A O no hydrogen 3.342 N/A THR 104.A N LEU 101.A O no hydrogen 3.051 N/A THR 104.A OG1 ALA 100.A O no hydrogen 2.545 N/A THR 104.A OG1 LEU 101.A O no hydrogen 3.212 N/A ASP 105.A N ASN 20.A O no hydrogen 3.243 N/A GLY 106.A N ASN 20.A O no hydrogen 3.435 N/A ALA 107.A N LYS 134.A O no hydrogen 3.243 N/A LEU 108.A N SER 22.A O no hydrogen 2.834 N/A VAL 109.A N VAL 136.A O no hydrogen 2.631 N/A VAL 110.A N ILE 24.A O no hydrogen 3.058 N/A VAL 111.A N VAL 138.A O no hydrogen 3.258 N/A ASP 112.A N HIS 29.A ND1 no hydrogen 2.935 N/A THR 113.A OG1 ASN 140.A O no hydrogen 2.672 N/A ILE 114.A N ASP 112.A OD1 no hydrogen 3.038 N/A GLU 115.A N ASP 112.A OD1 no hydrogen 3.225 N/A CYS 118.A SG HIS 29.A NE2 no hydrogen 3.794 N/A CYS 118.A SG GLU 115.A O no hydrogen 3.239 N/A THR 121.A N CYS 118.A O no hydrogen 2.856 N/A THR 123.A N VAL 119.A O no hydrogen 2.881 N/A THR 123.A OG1 VAL 119.A O no hydrogen 2.650 N/A VAL 124.A N GLN 120.A O no hydrogen 2.930 N/A LEU 125.A N THR 121.A O no hydrogen 2.909 N/A ARG 126.A N GLU 122.A O no hydrogen 2.949 N/A GLN 127.A N THR 123.A O no hydrogen 3.070 N/A ALA 128.A N VAL 124.A O no hydrogen 3.030 N/A LEU 129.A N LEU 125.A O no hydrogen 3.199 N/A GLY 130.A N ARG 126.A O no hydrogen 3.181 N/A GLY 130.A N GLN 127.A O no hydrogen 3.336 N/A GLU 131.A N ALA 128.A O no hydrogen 3.373 N/A ILE 133.A N ALA 128.A O no hydrogen 2.917 N/A LYS 134.A NZ HIS 323.A O no hydrogen 3.461 N/A ILE 139.A N ALA 192.A O no hydrogen 3.346 N/A ASN 140.A N VAL 111.A O no hydrogen 3.135 N/A ASN 140.A ND2 HIS 29.A O no hydrogen 3.647 N/A LYS 141.A NZ ASP 28.A O no hydrogen 2.954 N/A LYS 141.A NZ ASP 112.A OD2 no hydrogen 3.330 N/A VAL 142.A N GLY 194.A O no hydrogen 3.359 N/A ALA 145.A N LYS 141.A O no hydrogen 3.206 N/A LEU 146.A N VAL 142.A O no hydrogen 3.196 N/A GLU 148.A N ARG 144.A O no hydrogen 2.967 N/A VAL 151.A N ALA 145.A O no hydrogen 3.251 N/A LEU 156.A N SER 152.A O no hydrogen 2.846 N/A TYR 157.A N LYS 153.A O no hydrogen 3.093 N/A GLN 158.A N GLU 154.A O no hydrogen 3.235 N/A THR 159.A N ASP 155.A O no hydrogen 2.962 N/A THR 159.A OG1 ASP 155.A O no hydrogen 3.183 N/A PHE 160.A N LEU 156.A O no hydrogen 3.123 N/A ALA 161.A N TYR 157.A O no hydrogen 2.778 N/A ARG 162.A N GLN 158.A O no hydrogen 2.850 N/A THR 163.A N THR 159.A O no hydrogen 3.139 N/A THR 163.A OG1 THR 159.A O no hydrogen 2.890 N/A VAL 164.A N PHE 160.A O no hydrogen 2.835 N/A GLU 165.A N ALA 161.A O no hydrogen 2.826 N/A SER 166.A N ARG 162.A O no hydrogen 2.819 N/A SER 166.A OG ARG 162.A O no hydrogen 3.432 N/A SER 166.A OG THR 163.A O no hydrogen 2.979 N/A VAL 167.A N THR 163.A O no hydrogen 3.206 N/A ASN 168.A N VAL 164.A O no hydrogen 2.964 N/A VAL 169.A N GLU 165.A O no hydrogen 3.253 N/A ILE 170.A N SER 166.A O no hydrogen 3.517 N/A VAL 171.A N VAL 167.A O no hydrogen 2.924 N/A SER 172.A N ASN 168.A O no hydrogen 2.633 N/A SER 172.A OG ASN 168.A O no hydrogen 2.833 N/A SER 172.A OG VAL 169.A O no hydrogen 2.950 N/A THR 173.A N VAL 169.A O no hydrogen 3.060 N/A THR 173.A OG1 VAL 169.A O no hydrogen 3.185 N/A TYR 174.A N ILE 170.A O no hydrogen 3.145 N/A GLN 183.A N GLN 183.A OE1 no hydrogen 3.007 N/A ARG 188.A N TYR 185.A O no hydrogen 3.162 N/A THR 190.A N TYR 185.A O no hydrogen 3.046 N/A THR 190.A OG1 TYR 185.A O no hydrogen 2.739 N/A ALA 192.A N VAL 137.A O no hydrogen 3.262 N/A PHE 193.A N PHE 202.A O no hydrogen 3.068 N/A SER 195.A N TRP 200.A O no hydrogen 2.807 N/A SER 195.A OG ASP 143.A OD2 no hydrogen 2.953 N/A SER 195.A OG HIS 198.A ND1 no hydrogen 3.332 N/A GLY 196.A N ASN 140.A OD1 no hydrogen 3.014 N/A HIS 198.A N SER 195.A OG no hydrogen 2.746 N/A TRP 200.A N SER 195.A O no hydrogen 3.156 N/A ALA 201.A N LEU 310.A O no hydrogen 2.893 N/A ARG 205.A NH2 GLU 70.A OE1 no hydrogen 3.458 N/A GLN 206.A N THR 203.A O no hydrogen 3.336 N/A ALA 208.A N ILE 204.A O no hydrogen 2.891 N/A THR 209.A N ARG 205.A O no hydrogen 3.274 N/A THR 209.A OG1 ARG 205.A O no hydrogen 3.211 N/A ARG 210.A N PHE 207.A O no hydrogen 3.035 N/A ARG 210.A NH2 PHE 309.A O no hydrogen 3.326 N/A GLY 216.A N ALA 212.A O no hydrogen 2.672 N/A LYS 221.A N ASP 218.A O no hydrogen 3.045 N/A MET 222.A N ASP 218.A O no hydrogen 2.877 N/A MET 223.A N LYS 219.A O no hydrogen 3.389 N/A ARG 225.A N LYS 221.A O no hydrogen 2.877 N/A ARG 225.A NH2 TRP 239.A O no hydrogen 3.241 N/A SER 230.A OG ASP 224.A O no hydrogen 3.028 N/A THR 236.A N ASN 233.A O no hydrogen 3.243 N/A LYS 237.A N ASN 233.A O no hydrogen 2.587 N/A LYS 237.A NZ PRO 234.A O no hydrogen 3.179 N/A LEU 251.A N ASP 243.A O no hydrogen 2.598 N/A MET 257.A N ARG 253.A O no hydrogen 2.729 N/A PHE 258.A N ALA 254.A O no hydrogen 2.977 N/A LEU 260.A N PHE 255.A O no hydrogen 2.949 N/A ARG 265.A N ASP 261.A O no hydrogen 3.522 N/A ARG 265.A NE ASP 261.A O no hydrogen 2.895 N/A LEU 266.A N PRO 262.A O no hydrogen 2.951 N/A PHE 267.A N ILE 263.A O no hydrogen 3.122 N/A THR 268.A N PHE 264.A O no hydrogen 3.187 N/A THR 268.A OG1 PHE 264.A O no hydrogen 3.385 N/A ALA 269.A N ARG 265.A O no hydrogen 3.129 N/A ILE 270.A N LEU 266.A O no hydrogen 2.582 N/A MET 271.A N PHE 267.A O no hydrogen 2.505 N/A GLU 277.A N LYS 274.A O no hydrogen 2.689 N/A ILE 278.A N LYS 274.A O no hydrogen 3.117 N/A LEU 281.A N GLU 277.A O no hydrogen 2.897 N/A LEU 282.A N ILE 278.A O no hydrogen 2.930 N/A LYS 284.A N VAL 280.A O no hydrogen 3.467 N/A LEU 285.A N LEU 281.A O no hydrogen 3.229 N/A LEU 285.A N LEU 282.A O no hydrogen 3.407 N/A GLU 286.A N GLU 283.A O no hydrogen 2.874 N/A ILE 287.A N LEU 282.A O no hydrogen 2.651 N/A LEU 296.A N ASP 292.A O no hydrogen 3.342 N/A LEU 301.A N GLU 297.A O no hydrogen 3.478 N/A LYS 303.A N LYS 299.A O no hydrogen 3.307 N/A LYS 303.A NZ LEU 197.A O no hydrogen 2.765 N/A LYS 303.A NZ HIS 198.A ND1 no hydrogen 3.449 N/A VAL 305.A N LEU 301.A O no hydrogen 3.141 N/A VAL 305.A N LEU 302.A O no hydrogen 3.108 N/A LYS 308.A NZ VAL 288.A O no hydrogen 3.091 N/A LYS 308.A NZ GLU 293.A OE1 no hydrogen 3.108 N/A PHE 309.A N MET 306.A O no hydrogen 3.185 N/A LEU 310.A N MET 306.A O no hydrogen 2.901 N/A LEU 317.A N ALA 313.A O no hydrogen 2.610 N/A MET 319.A N ALA 315.A O no hydrogen 3.188 N/A ILE 320.A N LEU 316.A O no hydrogen 3.295 N/A VAL 321.A N GLU 318.A O no hydrogen 3.199 N/A LEU 322.A N GLU 318.A O no hydrogen 2.906 N/A HIS 323.A N MET 319.A O no hydrogen 3.100 N/A LEU 324.A N MET 319.A O no hydrogen 3.500 N/A SER 326.A OG VAL 15.A O no hydrogen 3.161 N/A ALA 330.A N SER 326.A O no hydrogen 3.137 N/A GLN 331.A N PRO 327.A O no hydrogen 2.912 N/A GLN 331.A NE2 PHE 383.A O no hydrogen 3.359 N/A TYR 333.A N GLN 331.A O no hydrogen 2.902 N/A ARG 334.A N GLN 331.A O no hydrogen 3.276 N/A ARG 334.A NH1 GLU 131.A OE1 no hydrogen 3.407 N/A ALA 335.A N GLN 331.A O no hydrogen 3.004 N/A LEU 338.A N ARG 334.A O no hydrogen 3.336 N/A TYR 339.A N ALA 335.A O no hydrogen 3.208 N/A ASP 345.A N PRO 342.A O no hydrogen 3.014 N/A ASN 347.A N ASP 345.A OD2 no hydrogen 3.257 N/A CYS 348.A SG ALA 335.A O no hydrogen 3.668 N/A ILE 349.A N ASP 345.A O no hydrogen 2.921 N/A ALA 350.A N ALA 346.A O no hydrogen 3.157 N/A ILE 351.A N ASN 347.A O no hydrogen 3.274 N/A LYS 352.A N CYS 348.A O no hydrogen 3.121 N/A ASN 353.A N ILE 349.A O no hydrogen 2.969 N/A CYS 354.A SG GLN 331.A OE1 no hydrogen 3.626 N/A ASP 355.A N ALA 350.A O no hydrogen 3.101 N/A ALA 358.A N ASP 355.A O no hydrogen 3.272 N/A MET 361.A N ALA 384.A O no hydrogen 2.564 N/A LEU 362.A N LEU 451.A O no hydrogen 3.246 N/A TYR 363.A N ARG 381.A O no hydrogen 2.809 N/A VAL 364.A N GLY 449.A O no hydrogen 3.169 N/A SER 365.A OG ALA 99.A O no hydrogen 2.923 N/A LYS 366.A N PHE 379.A O no hydrogen 3.149 N/A LYS 366.A NZ SER 54.A O no hydrogen 3.125 N/A VAL 368.A N LYS 366.A O no hydrogen 2.918 N/A THR 370.A OG1 ARG 375.A O no hydrogen 3.315 N/A ARG 375.A N ASP 372.A O no hydrogen 3.389 N/A ARG 375.A NE ASP 372.A O no hydrogen 3.503 N/A GLY 380.A N ILE 436.A O no hydrogen 3.105 N/A ARG 381.A N TYR 363.A O no hydrogen 2.805 N/A ARG 381.A NE GLY 433.A O no hydrogen 3.347 N/A ARG 381.A NH1 ASP 105.A OD1 no hydrogen 2.888 N/A ARG 381.A NH2 ASP 105.A OD1 no hydrogen 2.952 N/A VAL 382.A N ASN 434.A O no hydrogen 3.049 N/A VAL 387.A N CYS 430.A O no hydrogen 3.236 N/A LYS 388.A N GLN 391.A OE1 no hydrogen 3.382 N/A SER 389.A OG ASP 428.A O no hydrogen 3.164 N/A GLN 391.A N LYS 388.A O no hydrogen 2.695 N/A VAL 393.A N LYS 411.A O no hydrogen 2.783 N/A ARG 394.A N THR 452.A O no hydrogen 2.802 N/A ARG 394.A NH2 TYR 400.A OH no hydrogen 2.728 N/A GLN 396.A NE2 TYR 400.A OH no hydrogen 3.567 N/A GLN 396.A NE2 ALA 457.A O no hydrogen 2.613 N/A GLY 397.A N ASP 407.A O no hydrogen 3.040 N/A TYR 400.A OH PRO 402.A O no hydrogen 3.189 N/A ILE 413.A N GLN 391.A O no hydrogen 3.384 N/A LEU 418.A N GLU 425.A O no hydrogen 2.557 N/A ILE 427.A N VAL 416.A O no hydrogen 3.180 N/A CYS 430.A SG PRO 431.A O no hydrogen 3.895 N/A GLY 433.A N VAL 382.A O no hydrogen 2.524 N/A ASN 434.A ND2 MET 12.A O no hydrogen 3.480 N/A ILE 436.A N GLY 380.A O no hydrogen 3.118 N/A GLY 437.A N VAL 417.A O no hydrogen 3.286 N/A PHE 444.A N ILE 441.A O no hydrogen 2.781 N/A LEU 445.A N ILE 441.A O no hydrogen 2.873 N/A LYS 447.A NZ PRO 498.A O no hydrogen 3.449 N/A LYS 447.A NZ VAL 500.A O no hydrogen 2.919 N/A THR 452.A N ARG 394.A O no hydrogen 3.149 N/A SER 454.A OG ASN 347.A OD1 no hydrogen 3.360 N/A HIS 458.A N TYR 339.A OH no hydrogen 2.564 N/A HIS 458.A ND1 THR 456.A O no hydrogen 3.136 N/A ASN 459.A ND2 GLY 397.A O no hydrogen 3.455 N/A MET 460.A N THR 450.A OG1 no hydrogen 3.226 N/A LYS 461.A NZ MET 463.A O no hydrogen 3.075 N/A SER 466.A N LYS 464.A O no hydrogen 2.664 N/A GLN 472.A NE2 SER 758.A O no hydrogen 3.665 N/A VAL 473.A N VAL 512.A O no hydrogen 3.034 N/A ALA 474.A N SER 539.A O no hydrogen 3.135 N/A LYS 478.A N PRO 535.A O no hydrogen 3.201 N/A ASN 481.A ND2 ASN 479.A OD1 no hydrogen 3.698 N/A ASP 482.A N ASN 479.A O no hydrogen 3.139 N/A VAL 487.A N LEU 483.A O no hydrogen 3.148 N/A GLU 488.A N PRO 484.A O no hydrogen 3.474 N/A GLY 489.A N LYS 485.A O no hydrogen 2.848 N/A LEU 490.A N LEU 486.A O no hydrogen 2.781 N/A LYS 491.A N VAL 487.A O no hydrogen 3.392 N/A ARG 492.A N GLU 488.A O no hydrogen 3.161 N/A LEU 493.A N GLY 489.A O no hydrogen 3.298 N/A SER 494.A N LEU 490.A O no hydrogen 3.492 N/A SER 494.A OG LEU 490.A O no hydrogen 3.360 N/A SER 494.A OG LYS 491.A O no hydrogen 3.418 N/A SER 496.A N ARG 492.A O no hydrogen 3.114 N/A ASP 497.A N LEU 493.A O no hydrogen 3.279 N/A VAL 500.A N ASP 497.A O no hydrogen 3.319 N/A THR 502.A OG1 SER 494.A OG no hydrogen 3.402 N/A TYR 503.A N ILE 511.A O no hydrogen 2.879 N/A SER 505.A N GLU 509.A O no hydrogen 2.743 N/A SER 505.A OG GLU 509.A O no hydrogen 2.845 N/A SER 507.A N SER 505.A OG no hydrogen 3.070 N/A SER 507.A OG VAL 542.A O no hydrogen 3.520 N/A VAL 512.A N VAL 473.A O no hydrogen 2.763 N/A ALA 513.A N LEU 501.A O no hydrogen 2.658 N/A THR 515.A OG1 ASP 92.A O no hydrogen 3.312 N/A GLU 517.A N GLU 517.A OE1 no hydrogen 2.606 N/A LEU 520.A N GLY 516.A O no hydrogen 2.792 N/A GLU 521.A N GLU 517.A O no hydrogen 2.951 N/A ILE 522.A N LEU 518.A O no hydrogen 3.149 N/A CYS 523.A N HIS 519.A O no hydrogen 3.053 N/A CYS 523.A SG HIS 519.A O no hydrogen 3.115 N/A LEU 524.A N LEU 520.A O no hydrogen 2.786 N/A GLN 525.A N GLU 521.A O no hydrogen 2.773 N/A ASP 526.A N ILE 522.A O no hydrogen 3.170 N/A LEU 527.A N LEU 524.A O no hydrogen 3.011 N/A GLU 528.A N LEU 524.A O no hydrogen 2.801 N/A HIS 529.A N GLN 525.A O no hydrogen 3.215 N/A HIS 531.A N ASP 526.A O no hydrogen 2.773 N/A ALA 532.A N LEU 527.A O no hydrogen 2.919 N/A GLY 533.A N LEU 527.A O no hydrogen 3.407 N/A LEU 536.A N GLU 528.A OE2 no hydrogen 2.871 N/A LYS 537.A NZ GLU 476.A OE2 no hydrogen 3.440 N/A SER 539.A N ALA 474.A O no hydrogen 3.236 N/A VAL 542.A N GLU 509.A OE1 no hydrogen 2.834 N/A TYR 545.A N GLU 661.A OE2 no hydrogen 2.719 N/A ARG 546.A N GLN 706.A O no hydrogen 2.769 N/A THR 548.A N LYS 704.A O no hydrogen 3.033 N/A THR 548.A OG1 VAL 549.A O no hydrogen 3.374 N/A THR 548.A OG1 ARG 664.A O no hydrogen 2.861 N/A GLU 550.A N ASP 702.A O no hydrogen 2.867 N/A SER 551.A OG GLU 552.A O no hydrogen 3.459 N/A SER 551.A OG ALA 701.A O no hydrogen 3.197 N/A SER 551.A OG ASP 702.A OD1 no hydrogen 3.396 N/A SER 553.A N ALA 572.A O no hydrogen 3.214 N/A SER 553.A OG GLY 697.A O no hydrogen 2.722 N/A SER 554.A N LEU 700.A O no hydrogen 2.797 N/A SER 554.A OG LEU 700.A O no hydrogen 3.459 N/A ALA 557.A N LEU 570.A O no hydrogen 2.704 N/A SER 559.A N ILE 568.A O no hydrogen 3.470 N/A LYS 560.A N ASP 821.A OD2 no hydrogen 3.049 N/A SER 561.A N ASN 566.A O no hydrogen 3.121 N/A LYS 564.A N SER 561.A OG no hydrogen 3.080 N/A ARG 567.A N THR 674.A OG1 no hydrogen 2.615 N/A ARG 567.A NH2 ASP 821.A O no hydrogen 3.143 N/A ILE 568.A N SER 559.A O no hydrogen 2.759 N/A TYR 569.A N ASP 672.A O no hydrogen 3.133 N/A LYS 571.A N ASN 669.A O no hydrogen 3.119 N/A ALA 572.A N SER 553.A OG no hydrogen 3.305 N/A GLU 573.A N ARG 667.A O no hydrogen 3.140 N/A ILE 575.A N SER 665.A O no hydrogen 3.261 N/A GLU 578.A N ASP 576.A OD1 no hydrogen 2.871 N/A VAL 579.A N ASP 576.A O no hydrogen 2.888 N/A SER 580.A N ASP 576.A O no hydrogen 3.038 N/A SER 580.A OG PRO 625.A O no hydrogen 3.329 N/A SER 580.A OG SER 665.A OG no hydrogen 3.298 N/A LEU 581.A N GLU 577.A O no hydrogen 2.764 N/A ALA 582.A N GLU 578.A O no hydrogen 3.327 N/A GLU 584.A N SER 580.A O no hydrogen 3.368 N/A ILE 587.A N ALA 582.A O no hydrogen 3.083 N/A ILE 588.A N ALA 582.A O no hydrogen 3.048 N/A ASN 589.A N ASP 592.A OD2 no hydrogen 3.046 N/A ASN 589.A ND2 GLY 586.A O no hydrogen 3.325 N/A ASN 589.A ND2 ASP 592.A OD2 no hydrogen 3.365 N/A ALA 596.A N ASP 593.A OD2 no hydrogen 3.073 N/A ARG 597.A N ASP 593.A O no hydrogen 3.033 N/A ARG 597.A NH1 ASN 589.A O no hydrogen 2.944 N/A ALA 598.A N PHE 594.A O no hydrogen 3.213 N/A ARG 599.A N LYS 595.A O no hydrogen 2.848 N/A ILE 600.A N ALA 596.A O no hydrogen 3.391 N/A MET 601.A N ARG 597.A O no hydrogen 2.816 N/A ASP 603.A N ARG 599.A O no hydrogen 2.786 N/A ALA 612.A N ASP 608.A O no hydrogen 2.859 N/A ARG 613.A N VAL 609.A O no hydrogen 2.776 N/A ARG 613.A N THR 610.A O no hydrogen 3.202 N/A TRP 616.A N VAL 628.A O no hydrogen 2.927 N/A GLY 619.A N GLY 624.A O no hydrogen 3.101 N/A GLY 624.A N PRO 620.A O no hydrogen 2.658 N/A ASN 626.A N GLY 619.A O no hydrogen 2.935 N/A VAL 628.A N CYS 617.A O no hydrogen 3.170 N/A ILE 629.A N VAL 668.A O no hydrogen 2.976 N/A THR 632.A OG1 ASP 630.A OD1 no hydrogen 3.134 N/A HIS 639.A N HIS 639.A ND1 no hydrogen 2.812 N/A ILE 641.A N LEU 638.A O no hydrogen 2.826 N/A LYS 642.A N LEU 638.A O no hydrogen 3.027 N/A VAL 645.A N ILE 641.A O no hydrogen 2.853 N/A VAL 646.A N LYS 642.A O no hydrogen 3.203 N/A ALA 648.A N SER 644.A O no hydrogen 3.467 N/A PHE 649.A N VAL 645.A O no hydrogen 3.051 N/A GLN 650.A N VAL 646.A O no hydrogen 2.796 N/A ALA 652.A N ALA 648.A O no hydrogen 3.214 N/A THR 653.A N PHE 649.A O no hydrogen 2.822 N/A THR 653.A OG1 PHE 649.A O no hydrogen 2.683 N/A LYS 654.A NZ ASP 621.A OD1 no hydrogen 3.441 N/A LYS 654.A NZ ASP 621.A OD2 no hydrogen 2.752 N/A LYS 654.A NZ GLU 662.A OE2 no hydrogen 3.447 N/A GLU 655.A N ALA 652.A O no hydrogen 3.161 N/A GLY 656.A N GLU 661.A O no hydrogen 2.681 N/A ILE 658.A N GLU 547.A OE1 no hydrogen 2.814 N/A GLU 661.A N GLU 547.A OE2 no hydrogen 2.839 N/A SER 665.A OG GLU 577.A OE2 no hydrogen 3.517 N/A SER 665.A OG SER 580.A OG no hydrogen 3.298 N/A VAL 668.A N LEU 627.A O no hydrogen 3.023 N/A ASN 669.A N LYS 571.A O no hydrogen 2.947 N/A ILE 670.A N ILE 629.A O no hydrogen 2.902 N/A LEU 671.A N TYR 569.A O no hydrogen 3.109 N/A ASP 672.A N TYR 569.A O no hydrogen 2.776 N/A THR 674.A N ARG 567.A O no hydrogen 2.818 N/A THR 674.A OG1 ARG 567.A O no hydrogen 3.249 N/A LEU 675.A N VAL 673.A O no hydrogen 2.944 N/A ARG 681.A NH2 GLU 640.A OE1 no hydrogen 2.824 N/A ARG 681.A NH2 ALA 677.A O no hydrogen 2.804 N/A GLN 685.A N GLY 682.A O no hydrogen 2.995 N/A ILE 686.A N GLY 682.A O no hydrogen 3.043 N/A ILE 687.A N GLY 683.A O no hydrogen 2.841 N/A THR 689.A OG1 GLN 685.A O no hydrogen 2.917 N/A MET 690.A N ILE 686.A O no hydrogen 2.824 N/A ARG 691.A N ILE 687.A O no hydrogen 3.112 N/A ARG 691.A NH1 ALA 648.A O no hydrogen 3.097 N/A ALA 693.A N THR 689.A O no hydrogen 2.729 N/A THR 694.A N MET 690.A O no hydrogen 3.085 N/A THR 694.A OG1 MET 690.A O no hydrogen 3.015 N/A TYR 695.A N ARG 691.A O no hydrogen 3.230 N/A TYR 695.A OH GLU 655.A O no hydrogen 3.180 N/A ALA 696.A N ARG 692.A O no hydrogen 3.151 N/A GLY 697.A N ALA 693.A O no hydrogen 3.048 N/A PHE 698.A N THR 694.A O no hydrogen 2.877 N/A LEU 699.A N TYR 695.A O no hydrogen 3.110 N/A LEU 700.A N GLY 697.A O no hydrogen 3.423 N/A ALA 701.A N GLY 697.A O no hydrogen 2.938 N/A LYS 704.A NZ PRO 703.A O no hydrogen 3.486 N/A GLN 706.A N ARG 546.A O no hydrogen 3.095 N/A VAL 709.A N HIS 781.A O no hydrogen 2.787 N/A PHE 710.A N LEU 753.A O no hydrogen 2.686 N/A VAL 712.A N ALA 751.A O no hydrogen 3.427 N/A ILE 714.A N VAL 749.A O no hydrogen 3.296 N/A GLN 715.A N PHE 774.A O no hydrogen 2.938 N/A CYS 716.A N PHE 747.A O no hydrogen 3.464 N/A CYS 716.A SG PHE 747.A O no hydrogen 3.952 N/A GLU 718.A N PRO 745.A O no hydrogen 3.386 N/A ALA 720.A N PRO 717.A O no hydrogen 3.001 N/A TYR 725.A OH GLU 738.A OE1 no hydrogen 3.276 N/A SER 726.A OG GLY 723.A O no hydrogen 2.476 N/A VAL 727.A N GLY 723.A O no hydrogen 3.200 N/A VAL 727.A N ILE 724.A O no hydrogen 2.713 N/A LEU 728.A N ILE 724.A O no hydrogen 3.193 N/A ASN 729.A N TYR 725.A O no hydrogen 3.145 N/A LYS 731.A N VAL 727.A O no hydrogen 3.257 N/A ARG 732.A NH2 ASN 756.A OD1 no hydrogen 3.452 N/A SER 737.A N LYS 750.A O no hydrogen 3.505 N/A ARG 741.A NH1 LEU 746.A O no hydrogen 3.289 N/A ARG 741.A NH2 LEU 746.A O no hydrogen 3.109 N/A PHE 747.A N CYS 716.A O no hydrogen 2.775 N/A ALA 751.A N VAL 712.A O no hydrogen 3.215 N/A TYR 752.A N GLN 734.A O no hydrogen 2.689 N/A TYR 752.A OH ASP 780.A OD1 no hydrogen 3.417 N/A LEU 753.A N PHE 710.A O no hydrogen 3.330 N/A VAL 755.A N PRO 708.A O no hydrogen 3.362 N/A GLU 757.A N PRO 754.A O no hydrogen 2.572 N/A SER 758.A N VAL 755.A O no hydrogen 3.168 N/A SER 758.A OG VAL 755.A O no hydrogen 2.959 N/A GLY 760.A N SER 758.A O no hydrogen 3.034 N/A PHE 761.A N SER 758.A O no hydrogen 3.438 N/A GLU 764.A N GLY 760.A O no hydrogen 3.397 N/A LEU 765.A N PHE 761.A O no hydrogen 2.734 N/A ARG 766.A N THR 762.A O no hydrogen 2.687 N/A GLN 767.A N GLY 763.A O no hydrogen 2.667 N/A GLN 767.A NE2 GLN 767.A O no hydrogen 3.597 N/A ALA 768.A N GLU 764.A O no hydrogen 2.720 N/A THR 769.A N LEU 765.A O no hydrogen 3.363 N/A THR 769.A OG1 LEU 765.A O no hydrogen 3.247 N/A THR 769.A OG1 GLY 770.A O no hydrogen 3.450 N/A PHE 774.A N GLN 715.A O no hydrogen 3.350 N/A VAL 778.A N LEU 711.A O no hydrogen 3.335 N/A ASP 780.A N VAL 709.A O no hydrogen 2.936 N/A SER 783.A N GLU 707.A O no hydrogen 3.396 N/A LEU 785.A N ILE 705.A O no hydrogen 3.010 N/A LEU 790.A N ASP 788.A OD1 no hydrogen 3.146 N/A ASP 791.A N ASP 788.A O no hydrogen 2.921 N/A THR 793.A OG1 ASP 791.A OD2 no hydrogen 3.269 N/A SER 794.A N ASP 791.A O no hydrogen 2.987 N/A SER 794.A OG ASP 791.A O no hydrogen 3.123 N/A GLU 798.A N SER 794.A O no hydrogen 3.048 N/A ILE 799.A N LYS 795.A O no hydrogen 3.403 N/A VAL 800.A N ALA 796.A O no hydrogen 3.249 N/A LEU 801.A N GLY 797.A O no hydrogen 3.240 N/A ALA 802.A N GLU 798.A O no hydrogen 3.182 N/A ALA 803.A N ILE 799.A O no hydrogen 2.794 N/A ARG 804.A N VAL 800.A O no hydrogen 3.017 N/A ARG 804.A NE GLU 812.A O no hydrogen 2.700 N/A LYS 805.A N LEU 801.A O no hydrogen 3.424 N/A ARG 806.A N ALA 802.A O no hydrogen 3.371 N/A ARG 806.A NH1 HIS 807.A NE2 no hydrogen 3.040 N/A MET 809.A N ARG 804.A O no hydrogen 2.987 N/A GLN 817.A NE2 GLU 818.A OE2 no hydrogen 3.365 N/A TYR 820.A OH THR 556.A O no hydrogen 3.003 N/A