Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2nub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N GLU 594.A OE1 no hydrogen 2.815 N/A LYS 3.A NZ ASN 593.A O no hydrogen 3.461 N/A LEU 6.A N PHE 591.A O no hydrogen 2.681 N/A LEU 7.A N GLU 294.A O no hydrogen 2.648 N/A ASN 8.A ND2 HIS 155.A NE2 no hydrogen 3.305 N/A ASN 8.A ND2 LEU 156.A O no hydrogen 2.986 N/A LEU 9.A N LEU 7.A O no hydrogen 2.547 N/A TYR 10.A N LEU 154.A O no hydrogen 2.989 N/A TYR 10.A OH GLU 293.A OE2 no hydrogen 3.144 N/A ARG 11.A NH2 GLU 13.A OE1 no hydrogen 2.589 N/A ILE 12.A N PHE 152.A O no hydrogen 3.137 N/A GLU 13.A N TYR 288.A O no hydrogen 2.701 N/A ARG 15.A N GLY 286.A O no hydrogen 3.032 N/A ARG 15.A NH1 GLU 13.A OE2 no hydrogen 2.886 N/A THR 19.A N LYS 17.A O no hydrogen 2.986 N/A PHE 21.A N GLU 86.A O no hydrogen 3.050 N/A THR 22.A N CYS 59.A O no hydrogen 3.181 N/A THR 22.A OG1 GLY 61.A O no hydrogen 2.544 N/A PHE 24.A N PHE 57.A O no hydrogen 3.112 N/A LYS 25.A N LYS 81.A O no hydrogen 3.041 N/A THR 27.A OG1 GLU 79.A O no hydrogen 3.396 N/A LYS 34.A N GLN 31.A O no hydrogen 3.316 N/A LYS 34.A NZ GLU 29.A O no hydrogen 3.077 N/A LYS 37.A N LYS 34.A O no hydrogen 2.593 N/A VAL 38.A N LYS 34.A O no hydrogen 2.632 N/A ARG 39.A N LEU 35.A O no hydrogen 2.857 N/A ARG 39.A NH1 THR 50.A O no hydrogen 3.438 N/A ARG 39.A NH1 ASP 103.A OD1 no hydrogen 3.494 N/A ARG 41.A N LYS 37.A O no hydrogen 3.031 N/A VAL 42.A N VAL 38.A O no hydrogen 3.043 N/A PHE 43.A N ARG 39.A O no hydrogen 2.912 N/A LEU 44.A N TRP 40.A O no hydrogen 3.159 N/A GLN 45.A N ARG 41.A O no hydrogen 2.910 N/A GLN 45.A NE2 TYR 69.A O no hydrogen 3.600 N/A THR 46.A N VAL 42.A O no hydrogen 2.776 N/A GLY 47.A N PHE 43.A O no hydrogen 2.457 N/A GLY 47.A N LEU 44.A O no hydrogen 3.059 N/A THR 50.A N ASP 103.A OD2 no hydrogen 2.838 N/A THR 50.A OG1 LEU 48.A O no hydrogen 2.866 N/A PHE 51.A N TRP 58.A O no hydrogen 3.034 N/A ARG 52.A N GLU 99.A OE1 no hydrogen 2.692 N/A ARG 52.A NH1 ASN 36.A OD1 no hydrogen 2.647 N/A ARG 52.A NH1 GLU 99.A OE2 no hydrogen 3.465 N/A ARG 53.A N GLU 56.A O no hydrogen 3.010 N/A ARG 53.A NE GLU 96.A OE2 no hydrogen 2.836 N/A ARG 53.A NH2 GLU 96.A OE1 no hydrogen 2.361 N/A ARG 53.A NH2 GLU 96.A OE2 no hydrogen 3.216 N/A TRP 58.A N PHE 51.A O no hydrogen 2.955 N/A CYS 59.A N THR 22.A O no hydrogen 2.954 N/A CYS 59.A SG THR 22.A O no hydrogen 3.743 N/A CYS 59.A SG THR 50.A OG1 no hydrogen 3.726 N/A ALA 60.A N PRO 49.A O no hydrogen 3.029 N/A GLY 61.A N CYS 59.A O no hydrogen 2.449 N/A VAL 63.A N THR 22.A OG1 no hydrogen 3.264 N/A THR 67.A N LYS 65.A O no hydrogen 2.337 N/A THR 67.A OG1 TYR 69.A OH no hydrogen 3.354 N/A THR 67.A OG1 LEU 80.A O no hydrogen 3.542 N/A LEU 68.A N LEU 80.A O no hydrogen 2.917 N/A LEU 72.A N GLU 76.A O no hydrogen 2.838 N/A VAL 78.A N LEU 70.A O no hydrogen 3.129 N/A LEU 80.A N LEU 68.A O no hydrogen 2.893 N/A LYS 81.A N LYS 25.A O no hydrogen 2.668 N/A VAL 83.A N VAL 23.A O no hydrogen 2.973 N/A GLU 86.A N PHE 21.A O no hydrogen 3.034 N/A PHE 88.A N THR 19.A O no hydrogen 2.691 N/A GLN 92.A N GLU 96.A OE1 no hydrogen 2.798 N/A GLU 94.A N GLU 94.A OE1 no hydrogen 2.617 N/A ARG 95.A NH1 ARG 52.A O no hydrogen 2.909 N/A ARG 95.A NH1 GLU 99.A OE2 no hydrogen 3.008 N/A ARG 95.A NH2 ARG 52.A O no hydrogen 2.666 N/A GLN 98.A N GLU 94.A O no hydrogen 2.826 N/A GLN 98.A NE2 GLU 142.A O no hydrogen 3.252 N/A GLU 99.A N ARG 95.A O no hydrogen 2.737 N/A LEU 100.A N GLU 96.A O no hydrogen 2.957 N/A PHE 101.A N CYS 97.A O no hydrogen 2.788 N/A ARG 102.A N GLN 98.A O no hydrogen 2.863 N/A ARG 102.A NH1 GLU 142.A O no hydrogen 3.553 N/A ARG 102.A NH2 GLU 142.A O no hydrogen 3.440 N/A ASP 103.A N GLU 99.A O no hydrogen 3.176 N/A ASP 103.A N LEU 100.A O no hydrogen 3.275 N/A PHE 104.A N LEU 100.A O no hydrogen 3.371 N/A LEU 105.A N PHE 101.A O no hydrogen 3.264 N/A THR 106.A N ASP 103.A O no hydrogen 2.453 N/A THR 106.A OG1 ARG 102.A O no hydrogen 3.210 N/A LYS 107.A N ASP 103.A O no hydrogen 2.883 N/A THR 108.A N PHE 104.A O no hydrogen 2.699 N/A LYS 109.A NZ LYS 107.A O no hydrogen 3.010 N/A LYS 111.A NZ VAL 140.A O no hydrogen 3.381 N/A LYS 111.A NZ GLU 142.A OE2 no hydrogen 2.779 N/A LYS 113.A N LYS 109.A O no hydrogen 2.823 N/A PHE 114.A N VAL 110.A O no hydrogen 3.057 N/A ILE 115.A N LYS 111.A O no hydrogen 3.003 N/A SER 116.A N ASP 112.A O no hydrogen 2.725 N/A ASP 117.A N LYS 113.A O no hydrogen 2.928 N/A PHE 118.A N PHE 114.A O no hydrogen 2.591 N/A TYR 119.A N ILE 115.A O no hydrogen 3.222 N/A LYS 120.A N SER 116.A O no hydrogen 3.288 N/A LYS 120.A NZ ASP 117.A OD1 no hydrogen 3.140 N/A LYS 121.A N ASP 117.A O no hydrogen 2.884 N/A PHE 122.A N TYR 119.A O no hydrogen 3.360 N/A ARG 123.A N TYR 119.A O no hydrogen 2.388 N/A ARG 123.A N LYS 120.A O no hydrogen 3.225 N/A LYS 125.A N PHE 122.A O no hydrogen 3.298 N/A VAL 128.A N ILE 134.A O no hydrogen 3.302 N/A ALA 135.A N GLN 163.A O no hydrogen 2.881 N/A GLU 139.A N LYS 159.A O no hydrogen 2.923 N/A ASN 141.A N ASP 157.A O no hydrogen 3.250 N/A LYS 143.A N HIS 155.A O no hydrogen 2.783 N/A LEU 145.A N LEU 153.A O no hydrogen 2.793 N/A SER 147.A OG TYR 151.A O no hydrogen 3.132 N/A GLU 148.A N LYS 603.A O no hydrogen 3.207 N/A GLY 150.A N SER 147.A OG no hydrogen 3.327 N/A TYR 151.A OH GLU 294.A OE1 no hydrogen 2.680 N/A LEU 153.A N LEU 145.A O no hydrogen 2.587 N/A LEU 154.A N TYR 10.A O no hydrogen 2.589 N/A HIS 155.A N LYS 143.A O no hydrogen 2.448 N/A ASP 157.A N ASN 141.A O no hydrogen 3.355 N/A LYS 159.A N GLU 139.A O no hydrogen 3.200 N/A ARG 161.A N ILE 137.A O no hydrogen 2.717 N/A ARG 161.A NE GLN 163.A OE1 no hydrogen 2.977 N/A THR 167.A OG1 ALA 246.A O no hydrogen 3.130 N/A THR 167.A OG1 LEU 249.A O no hydrogen 2.697 N/A LEU 168.A N LEU 249.A O no hydrogen 2.680 N/A GLN 169.A N ALA 246.A O no hydrogen 2.682 N/A GLN 169.A NE2 GLN 169.A O no hydrogen 3.118 N/A GLN 169.A NE2 GLU 173.A OE1 no hydrogen 3.488 N/A THR 170.A OG1 GLU 166.A OE2 no hydrogen 3.121 N/A LEU 171.A N THR 167.A O no hydrogen 3.413 N/A LEU 172.A N LEU 168.A O no hydrogen 3.023 N/A ARG 174.A N LEU 171.A O no hydrogen 3.299 N/A ARG 174.A NH1 ASN 132.A O no hydrogen 3.531 N/A ARG 174.A NH2 ASN 132.A O no hydrogen 2.625 N/A VAL 182.A N GLY 191.A O no hydrogen 2.756 N/A LYS 183.A N LYS 250.A O no hydrogen 2.793 N/A ILE 185.A N ILE 248.A O no hydrogen 2.891 N/A ILE 187.A N PRO 184.A O no hydrogen 3.107 N/A GLY 191.A N VAL 182.A O no hydrogen 3.202 N/A GLN 194.A N VAL 240.A O no hydrogen 3.229 N/A PHE 197.A N LEU 238.A O no hydrogen 3.244 N/A ALA 199.A N ALA 236.A O no hydrogen 3.278 N/A LYS 202.A N ALA 199.A O no hydrogen 3.353 N/A ARG 208.A N GLU 205.A O no hydrogen 3.198 N/A LEU 209.A N GLU 205.A O no hydrogen 3.431 N/A CYS 210.A SG PHE 206.A O no hydrogen 3.532 N/A GLU 212.A N LEU 209.A O no hydrogen 2.585 N/A ARG 213.A N LEU 209.A O no hydrogen 3.231 N/A SER 214.A OG CYS 210.A O no hydrogen 2.624 N/A HIS 216.A ND1 GLY 186.A O no hydrogen 3.025 N/A LYS 220.A N HIS 216.A O no hydrogen 2.745 N/A LYS 220.A NZ SER 214.A O no hydrogen 3.418 N/A LYS 221.A N LYS 217.A O no hydrogen 3.077 N/A ALA 222.A N SER 218.A O no hydrogen 2.900 N/A TRP 223.A N SER 219.A O no hydrogen 2.808 N/A GLU 224.A N LYS 220.A O no hydrogen 2.909 N/A GLU 225.A N LYS 221.A O no hydrogen 3.223 N/A LEU 227.A N TRP 223.A O no hydrogen 2.885 N/A LYS 228.A N GLU 224.A O no hydrogen 2.873 N/A LYS 228.A NZ GLU 224.A OE2 no hydrogen 2.769 N/A ARG 233.A N ASN 229.A O no hydrogen 3.404 N/A ARG 233.A NE LEU 226.A O no hydrogen 3.274 N/A ARG 233.A NH1 GLY 203.A O no hydrogen 3.511 N/A ARG 233.A NH2 LEU 226.A O no hydrogen 2.925 N/A ALA 236.A N LEU 232.A O no hydrogen 3.318 N/A PHE 237.A N GLN 169.A OE1 no hydrogen 3.150 N/A LEU 238.A N PHE 197.A O no hydrogen 2.967 N/A THR 243.A OG1 VAL 239.A O no hydrogen 2.370 N/A ALA 246.A N PHE 237.A O no hydrogen 3.299 N/A ILE 248.A N PRO 245.A O no hydrogen 2.945 N/A LYS 250.A N LYS 183.A O no hydrogen 2.933 N/A VAL 252.A N ARG 181.A O no hydrogen 2.509 N/A LEU 253.A N ILE 162.A O no hydrogen 2.564 N/A ARG 267.A N GLU 263.A O no hydrogen 3.513 N/A LEU 268.A N PRO 264.A O no hydrogen 2.693 N/A ASN 269.A N GLY 265.A O no hydrogen 3.225 N/A LEU 270.A N LYS 266.A O no hydrogen 2.494 N/A ILE 271.A N ARG 267.A O no hydrogen 3.009 N/A ARG 272.A N LEU 268.A O no hydrogen 2.671 N/A TYR 273.A N ASN 269.A O no hydrogen 3.014 N/A ILE 274.A N LEU 270.A O no hydrogen 3.207 N/A LEU 275.A N ILE 271.A O no hydrogen 2.844 N/A ARG 276.A N ARG 272.A O no hydrogen 3.215 N/A ARG 277.A N TYR 273.A O no hydrogen 3.350 N/A ARG 277.A NE TYR 273.A OH no hydrogen 3.167 N/A ARG 277.A NH2 TYR 273.A OH no hydrogen 3.005 N/A TYR 278.A N ILE 274.A O no hydrogen 3.241 N/A TYR 278.A OH GLU 142.A OE2 no hydrogen 3.008 N/A VAL 279.A N LEU 275.A O no hydrogen 3.050 N/A LYS 280.A N ARG 276.A O no hydrogen 3.004 N/A ALA 281.A N ARG 277.A O no hydrogen 2.809 N/A LEU 282.A N TYR 278.A O no hydrogen 2.893 N/A LEU 282.A N VAL 279.A O no hydrogen 2.687 N/A GLY 286.A N ARG 283.A O no hydrogen 2.925 N/A TRP 287.A N LEU 282.A O no hydrogen 3.291 N/A TYR 288.A N GLU 13.A O no hydrogen 2.665 N/A SER 290.A N ARG 11.A O no hydrogen 2.853 N/A SER 290.A OG GLU 292.A OE2 no hydrogen 2.885 N/A GLU 294.A N LEU 7.A O no hydrogen 3.346 N/A ARG 295.A NE GLU 4.A OE1 no hydrogen 3.321 N/A ALA 296.A N ALA 5.A O no hydrogen 3.419 N/A LYS 297.A N PHE 601.A O no hydrogen 2.726 N/A LYS 299.A NZ PHE 596.A O no hydrogen 3.255 N/A LEU 300.A N GLY 599.A O no hydrogen 2.767 N/A VAL 306.A N THR 314.A OG1 no hydrogen 3.334 N/A LEU 307.A N LYS 471.A O no hydrogen 2.789 N/A ASP 308.A N LYS 312.A O no hydrogen 3.211 N/A ALA 309.A N ARG 328.A O no hydrogen 2.797 N/A LYS 310.A N ASP 308.A OD1 no hydrogen 2.629 N/A LYS 312.A NZ ASP 308.A OD2 no hydrogen 3.311 N/A LYS 312.A NZ LEU 326.A O no hydrogen 2.531 N/A ASN 313.A ND2 GLY 311.A O no hydrogen 3.508 N/A THR 314.A N VAL 306.A O no hydrogen 3.164 N/A LYS 315.A N ASN 313.A OD1 no hydrogen 2.731 N/A VAL 316.A N ASN 313.A O no hydrogen 3.373 N/A VAL 316.A N ASN 313.A OD1 no hydrogen 2.978 N/A ILE 317.A N ASN 313.A O no hydrogen 3.140 N/A PHE 323.A N ASN 319.A O no hydrogen 2.741 N/A LEU 324.A N LEU 320.A O no hydrogen 2.970 N/A GLU 325.A N ARG 321.A O no hydrogen 3.434 N/A LEU 326.A N LYS 322.A O no hydrogen 3.058 N/A LEU 326.A N PHE 323.A O no hydrogen 2.648 N/A CYS 327.A SG LEU 324.A O no hydrogen 3.497 N/A CYS 327.A SG PRO 469.A O no hydrogen 3.827 N/A ARG 328.A N ASP 308.A OD2 no hydrogen 2.904 N/A ARG 328.A NH1 ASN 366.A O no hydrogen 3.124 N/A PHE 330.A N ILE 468.A O no hydrogen 2.809 N/A LYS 332.A N ASN 467.A OD1 no hydrogen 3.181 N/A LYS 333.A N ASN 467.A OD1 no hydrogen 3.219 N/A LEU 336.A N LYS 370.A O no hydrogen 2.837 N/A SER 337.A N ASP 402.A OD1 no hydrogen 2.946 N/A VAL 338.A N LYS 372.A O no hydrogen 3.256 N/A GLU 339.A N LEU 403.A O no hydrogen 3.244 N/A ILE 340.A N GLY 375.A O no hydrogen 2.786 N/A ILE 341.A N ILE 405.A O no hydrogen 2.925 N/A SER 342.A N SER 377.A O no hydrogen 3.003 N/A VAL 343.A N PHE 407.A O no hydrogen 2.992 N/A SER 344.A N ILE 379.A O no hydrogen 2.871 N/A SER 344.A OG GLU 350.A OE1 no hydrogen 3.010 N/A VAL 345.A N GLU 409.A OE2 no hydrogen 2.687 N/A LYS 348.A NZ GLU 350.A OE1 no hydrogen 2.720 N/A LYS 353.A NZ SER 342.A OG no hydrogen 2.853 N/A LYS 353.A NZ VAL 343.A O no hydrogen 3.471 N/A GLU 355.A N TRP 351.A O no hydrogen 2.593 N/A PHE 356.A N ARG 352.A O no hydrogen 3.053 N/A LEU 357.A N LYS 353.A O no hydrogen 2.771 N/A LYS 358.A N GLU 354.A O no hydrogen 2.964 N/A GLU 359.A N GLU 355.A O no hydrogen 2.896 N/A LEU 360.A N PHE 356.A O no hydrogen 2.602 N/A ILE 361.A N LEU 357.A O no hydrogen 2.781 N/A ASN 362.A N LYS 358.A O no hydrogen 3.009 N/A PHE 363.A N GLU 359.A O no hydrogen 2.741 N/A LEU 364.A N LEU 360.A O no hydrogen 2.878 N/A LYS 365.A N ASN 362.A O no hydrogen 3.126 N/A ASN 366.A N ASN 362.A O no hydrogen 3.089 N/A LYS 367.A N LEU 364.A O no hydrogen 3.132 N/A LYS 367.A NZ LEU 324.A O no hydrogen 3.017 N/A GLY 368.A N LYS 365.A O no hydrogen 2.939 N/A ILE 369.A N LEU 364.A O no hydrogen 2.868 N/A LYS 370.A N ASP 334.A O no hydrogen 3.213 N/A LYS 372.A NZ ILE 373.A O no hydrogen 2.926 N/A LYS 374.A N VAL 338.A O no hydrogen 2.916 N/A SER 377.A N ILE 340.A O no hydrogen 2.837 N/A ILE 379.A N SER 342.A O no hydrogen 2.578 N/A GLN 382.A N GLU 385.A OE1 no hydrogen 3.492 N/A THR 383.A N GLU 386.A OE2 no hydrogen 2.960 N/A GLU 389.A N GLU 386.A O no hydrogen 2.824 N/A LYS 390.A N GLU 386.A O no hydrogen 2.406 N/A LYS 390.A NZ GLU 386.A O no hydrogen 3.245 N/A LEU 391.A N ALA 387.A O no hydrogen 2.782 N/A VAL 394.A N LYS 390.A O no hydrogen 3.133 N/A LYS 397.A N ASN 396.A OD1 no hydrogen 2.390 N/A LYS 397.A NZ GLU 339.A OE1 no hydrogen 3.307 N/A ASP 402.A N SER 337.A O no hydrogen 2.755 N/A VAL 404.A N PRO 436.A O no hydrogen 3.166 N/A ILE 405.A N GLU 339.A O no hydrogen 2.824 N/A VAL 406.A N GLN 438.A O no hydrogen 2.856 N/A PHE 407.A N ILE 341.A O no hydrogen 3.025 N/A LEU 408.A N ILE 440.A O no hydrogen 2.988 N/A TYR 411.A OH ALA 381.A O no hydrogen 2.862 N/A LYS 418.A NZ ASN 176.A OD1 no hydrogen 2.628 N/A PHE 425.A N LEU 421.A O no hydrogen 2.920 N/A VAL 426.A N LEU 422.A O no hydrogen 2.712 N/A LYS 427.A N TYR 423.A O no hydrogen 3.004 N/A LYS 427.A NZ SER 437.A O no hydrogen 2.405 N/A LYS 427.A NZ SER 437.A OG no hydrogen 2.667 N/A ARG 428.A N ASP 424.A O no hydrogen 2.941 N/A GLU 429.A N PHE 425.A O no hydrogen 3.019 N/A LEU 430.A N VAL 426.A O no hydrogen 3.025 N/A LEU 430.A N LYS 427.A O no hydrogen 3.179 N/A LEU 431.A N LYS 427.A O no hydrogen 2.907 N/A LEU 431.A N ARG 428.A O no hydrogen 3.103 N/A LYS 432.A N ARG 428.A O no hydrogen 3.134 N/A LYS 432.A NZ GLU 429.A OE2 no hydrogen 3.371 N/A LYS 433.A N GLU 429.A O no hydrogen 3.389 N/A MET 434.A N LEU 431.A O no hydrogen 2.833 N/A ILE 435.A N LEU 430.A O no hydrogen 2.872 N/A GLN 438.A N VAL 404.A O no hydrogen 3.154 N/A ILE 440.A N VAL 406.A O no hydrogen 2.543 N/A ASN 442.A N LEU 408.A O no hydrogen 2.756 N/A ASN 442.A ND2 VAL 343.A O no hydrogen 3.195 N/A ARG 443.A NE GLU 410.A OE1 no hydrogen 3.245 N/A ARG 443.A NE GLU 410.A OE2 no hydrogen 3.040 N/A ARG 443.A NH2 GLU 410.A OE1 no hydrogen 3.306 N/A THR 444.A N LEU 441.A O no hydrogen 2.886 N/A LEU 445.A N LEU 441.A O no hydrogen 3.329 N/A LYS 446.A N ASN 442.A O no hydrogen 3.087 N/A ASN 447.A N ARG 443.A O no hydrogen 3.355 N/A GLU 448.A N THR 444.A O no hydrogen 3.013 N/A VAL 453.A N ASN 449.A O no hydrogen 2.886 N/A LEU 454.A N LEU 450.A O no hydrogen 2.882 N/A LEU 455.A N LYS 451.A O no hydrogen 3.246 N/A ASN 456.A N PHE 452.A O no hydrogen 3.200 N/A VAL 457.A N VAL 453.A O no hydrogen 2.830 N/A ALA 458.A N LEU 454.A O no hydrogen 3.064 N/A GLU 459.A N LEU 455.A O no hydrogen 3.037 N/A VAL 461.A N VAL 457.A O no hydrogen 2.763 N/A LEU 462.A N ALA 458.A O no hydrogen 2.750 N/A ALA 463.A N GLU 459.A O no hydrogen 3.388 N/A LYS 464.A N GLN 460.A O no hydrogen 3.049 N/A LYS 464.A NZ SER 437.A O no hydrogen 2.723 N/A LYS 464.A NZ GLN 438.A OE1 no hydrogen 2.460 N/A THR 465.A N VAL 461.A O no hydrogen 3.119 N/A THR 465.A N LEU 462.A O no hydrogen 3.116 N/A THR 465.A OG1 VAL 461.A O no hydrogen 2.895 N/A THR 465.A OG1 LEU 462.A O no hydrogen 2.860 N/A GLY 466.A N ALA 463.A O no hydrogen 2.937 N/A ASN 467.A N LEU 462.A O no hydrogen 3.017 N/A ASN 467.A ND2 THR 465.A OG1 no hydrogen 3.115 N/A TYR 470.A OH GLU 459.A OE2 no hydrogen 2.905 N/A LYS 471.A N LEU 307.A O no hydrogen 2.963 N/A LEU 472.A N LYS 509.A O no hydrogen 3.249 N/A LYS 473.A N THR 305.A O no hydrogen 2.735 N/A ASP 480.A N LYS 549.A O no hydrogen 2.886 N/A PHE 482.A N PHE 506.A O no hydrogen 2.952 N/A VAL 483.A N VAL 551.A O no hydrogen 2.711 N/A GLY 484.A N LYS 504.A O no hydrogen 2.868 N/A ILE 485.A N HIS 553.A O no hydrogen 2.975 N/A ASP 486.A N PHE 502.A O no hydrogen 2.951 N/A SER 488.A N VAL 500.A O no hydrogen 3.019 N/A SER 488.A OG ASP 486.A OD2 no hydrogen 3.299 N/A SER 488.A OG THR 670.A OG1 no hydrogen 3.318 N/A ILE 490.A N ASN 498.A O no hydrogen 3.188 N/A VAL 500.A N SER 488.A O no hydrogen 2.978 N/A ALA 501.A N THR 518.A O no hydrogen 2.714 N/A PHE 502.A N ASP 486.A O no hydrogen 2.947 N/A THR 503.A N TYR 516.A O no hydrogen 2.864 N/A LYS 504.A N GLY 484.A O no hydrogen 2.967 N/A LYS 504.A NZ SER 666.A OG no hydrogen 3.355 N/A ILE 505.A N ARG 514.A O no hydrogen 2.748 N/A PHE 506.A N PHE 482.A O no hydrogen 2.955 N/A ASN 507.A N GLU 511.A O no hydrogen 2.883 N/A ASN 507.A ND2 GLU 511.A OE1 no hydrogen 2.849 N/A LYS 509.A N ASN 507.A OD1 no hydrogen 2.363 N/A GLY 510.A N ASN 507.A O no hydrogen 3.170 N/A GLU 511.A N ASN 507.A OD1 no hydrogen 3.128 N/A VAL 513.A N ILE 505.A O no hydrogen 2.662 N/A ARG 514.A N ILE 505.A O no hydrogen 3.194 N/A TYR 515.A N GLY 684.A O no hydrogen 2.922 N/A TYR 516.A N THR 503.A O no hydrogen 2.688 N/A LEU 517.A N LYS 682.A O no hydrogen 2.934 N/A THR 518.A N ALA 501.A O no hydrogen 3.069 N/A THR 518.A OG1 ILE 680.A O no hydrogen 3.226 N/A SER 519.A N ILE 680.A O no hydrogen 3.467 N/A SER 519.A OG ILE 680.A O no hydrogen 3.530 N/A TYR 520.A N ALA 499.A O no hydrogen 2.925 N/A ALA 522.A N VAL 497.A O no hydrogen 3.310 N/A ALA 531.A N LEU 527.A O no hydrogen 2.850 N/A ILE 532.A N THR 528.A O no hydrogen 2.865 N/A GLY 533.A N GLU 529.A O no hydrogen 3.001 N/A ASP 534.A N LYS 530.A O no hydrogen 2.905 N/A VAL 535.A N ILE 532.A O no hydrogen 2.954 N/A PHE 536.A N ILE 532.A O no hydrogen 3.422 N/A SER 537.A N GLY 533.A O no hydrogen 3.019 N/A LEU 538.A N ASP 534.A O no hydrogen 3.090 N/A LEU 539.A N VAL 535.A O no hydrogen 2.931 N/A GLU 540.A N PHE 536.A O no hydrogen 3.071 N/A LYS 541.A N SER 537.A O no hydrogen 3.043 N/A GLY 543.A N GLU 540.A O no hydrogen 3.128 N/A PHE 544.A N LEU 539.A O no hydrogen 3.134 N/A LYS 545.A NZ GLY 543.A O no hydrogen 3.354 N/A GLY 547.A N GLY 574.A O no hydrogen 3.207 N/A SER 548.A N LYS 545.A O no hydrogen 3.097 N/A SER 548.A OG LYS 545.A O no hydrogen 2.588 N/A LYS 549.A N ASP 480.A OD2 no hydrogen 2.531 N/A LYS 549.A NZ GLU 578.A OE2 no hydrogen 2.571 N/A ILE 550.A N SER 576.A O no hydrogen 2.724 N/A VAL 551.A N ALA 481.A O no hydrogen 3.067 N/A VAL 552.A N GLU 578.A O no hydrogen 3.144 N/A HIS 553.A N VAL 483.A O no hydrogen 2.578 N/A HIS 553.A ND1 THR 662.A OG1 no hydrogen 2.497 N/A ARG 554.A N LEU 580.A O no hydrogen 2.741 N/A ARG 554.A NE GLU 562.A OE1 no hydrogen 2.804 N/A ARG 554.A NH2 ILE 487.A O no hydrogen 3.504 N/A ARG 554.A NH2 GLU 562.A OE1 no hydrogen 2.981 N/A ARG 554.A NH2 GLU 562.A OE2 no hydrogen 2.458 N/A ASP 555.A N ILE 485.A O no hydrogen 3.039 N/A ARG 557.A NH1 GLU 581.A OE1 no hydrogen 2.462 N/A LEU 558.A N GLU 581.A OE2 no hydrogen 2.317 N/A TYR 559.A N GLU 562.A OE1 no hydrogen 3.277 N/A ASP 561.A N ASP 561.A OD1 no hydrogen 2.443 N/A VAL 563.A N TYR 559.A O no hydrogen 3.085 N/A ALA 564.A N ARG 560.A O no hydrogen 3.280 N/A ALA 565.A N ASP 561.A O no hydrogen 3.065 N/A PHE 566.A N GLU 562.A O no hydrogen 2.875 N/A LYS 567.A N VAL 563.A O no hydrogen 2.981 N/A LYS 568.A N ALA 564.A O no hydrogen 2.644 N/A TYR 569.A N ALA 565.A O no hydrogen 2.906 N/A GLY 570.A N PHE 566.A O no hydrogen 2.734 N/A GLU 571.A N LYS 567.A O no hydrogen 3.183 N/A GLU 571.A N LYS 568.A O no hydrogen 2.978 N/A TYR 573.A N TYR 569.A O no hydrogen 2.915 N/A TYR 573.A OH GLU 540.A OE2 no hydrogen 3.395 N/A GLY 574.A N GLU 571.A O no hydrogen 3.282 N/A TYR 575.A N GLY 570.A O no hydrogen 2.866 N/A TYR 575.A OH PHE 544.A O no hydrogen 2.680 N/A SER 576.A N SER 548.A O no hydrogen 2.642 N/A GLU 578.A N ILE 550.A O no hydrogen 3.157 N/A LEU 579.A N TYR 631.A O no hydrogen 2.522 N/A GLU 581.A N ARG 628.A O no hydrogen 3.210 N/A ILE 582.A N ARG 554.A O no hydrogen 3.187 N/A ILE 582.A N ASP 555.A O no hydrogen 3.315 N/A ASN 587.A ND2 ILE 583.A O no hydrogen 2.946 N/A ARG 589.A N ASN 8.A OD1 no hydrogen 2.721 N/A PHE 590.A N HIS 622.A O no hydrogen 3.209 N/A PHE 591.A N LEU 6.A O no hydrogen 2.529 N/A SER 592.A OG LYS 3.A O no hydrogen 3.404 N/A SER 592.A OG GLU 4.A O no hydrogen 2.543 N/A GLU 594.A N SER 592.A OG no hydrogen 3.309 N/A GLY 599.A N ALA 612.A O no hydrogen 2.655 N/A TYR 600.A N ILE 597.A O no hydrogen 2.625 N/A TYR 600.A OH LYS 3.A O no hydrogen 3.006 N/A PHE 601.A N GLY 298.A O no hydrogen 2.827 N/A TYR 602.A N ILE 610.A O no hydrogen 3.064 N/A TYR 602.A OH GLU 294.A OE1 no hydrogen 2.912 N/A LEU 604.A N SER 608.A O no hydrogen 2.666 N/A SER 605.A OG GLU 94.A OE2 no hydrogen 3.430 N/A SER 608.A OG VAL 627.A O no hydrogen 3.130 N/A VAL 609.A N VAL 627.A O no hydrogen 2.739 N/A ILE 610.A N TYR 602.A O no hydrogen 2.665 N/A LEU 611.A N ILE 625.A O no hydrogen 2.803 N/A ALA 612.A N TYR 600.A O no hydrogen 3.098 N/A THR 613.A OG1 LYS 658.A O no hydrogen 2.373 N/A GLN 616.A N LYS 595.A O no hydrogen 3.196 N/A GLN 616.A NE2 SER 592.A O no hydrogen 3.402 N/A ILE 625.A N LEU 611.A O no hydrogen 2.945 N/A LYS 626.A N ILE 583.A O no hydrogen 2.852 N/A VAL 627.A N VAL 609.A O no hydrogen 2.879 N/A ARG 628.A N GLU 581.A O no hydrogen 3.318 N/A ARG 628.A NH1 GLU 581.A OE1 no hydrogen 2.682 N/A LYS 629.A N ASP 607.A O no hydrogen 3.211 N/A LYS 629.A NZ GLY 632.A O no hydrogen 3.324 N/A LYS 629.A NZ LEU 634.A O no hydrogen 2.933 N/A VAL 630.A N LEU 579.A O no hydrogen 2.777 N/A TYR 631.A N LEU 579.A O no hydrogen 3.429 N/A GLU 633.A N GLU 578.A OE2 no hydrogen 2.817 N/A VAL 638.A N PRO 635.A O no hydrogen 3.237 N/A LEU 639.A N PRO 635.A O no hydrogen 3.374 N/A CYS 640.A N VAL 636.A O no hydrogen 2.677 N/A CYS 640.A SG VAL 636.A O no hydrogen 3.321 N/A SER 641.A N GLU 637.A O no hydrogen 2.989 N/A SER 641.A OG ASN 301.A O no hydrogen 3.110 N/A SER 641.A OG GLU 476.A OE1 no hydrogen 3.020 N/A GLN 642.A N VAL 638.A O no hydrogen 2.674 N/A GLN 642.A NE2 GLU 476.A O no hydrogen 2.745 N/A ILE 643.A N LEU 639.A O no hydrogen 3.129 N/A LEU 644.A N CYS 640.A O no hydrogen 2.982 N/A SER 645.A N SER 641.A O no hydrogen 2.973 N/A SER 645.A OG LYS 303.A O no hydrogen 2.628 N/A SER 645.A OG SER 641.A O no hydrogen 3.271 N/A LEU 646.A N GLN 642.A O no hydrogen 2.956 N/A THR 647.A N LEU 644.A O no hydrogen 2.841 N/A THR 647.A OG1 ILE 643.A O no hydrogen 3.563 N/A LEU 648.A N SER 645.A O no hydrogen 2.999 N/A ASN 650.A N THR 647.A O no hydrogen 3.370 N/A ASN 650.A ND2 LEU 659.A O no hydrogen 2.817 N/A TYR 651.A N LEU 648.A O no hydrogen 3.277 N/A TYR 651.A OH TYR 470.A O no hydrogen 3.286 N/A SER 652.A OG GLN 460.A OE1 no hydrogen 3.040 N/A SER 652.A OG GLN 655.A O no hydrogen 3.417 N/A SER 653.A N GLU 459.A OE1 no hydrogen 3.508 N/A SER 653.A OG GLU 459.A OE1 no hydrogen 3.006 N/A SER 653.A OG GLU 459.A OE2 no hydrogen 2.790 N/A ALA 661.A N LEU 646.A O no hydrogen 2.965 N/A THR 662.A OG1 HIS 553.A ND1 no hydrogen 2.497 N/A VAL 663.A N PRO 660.A O no hydrogen 2.883 N/A HIS 664.A N PRO 660.A O no hydrogen 2.953 N/A THR 670.A N SER 666.A O no hydrogen 2.713 N/A THR 670.A OG1 SER 488.A OG no hydrogen 3.318 N/A LYS 671.A N ASP 667.A O no hydrogen 2.552 N/A LYS 671.A NZ ASP 667.A OD2 no hydrogen 2.773 N/A LEU 672.A N LYS 668.A O no hydrogen 2.798 N/A MET 673.A N ILE 669.A O no hydrogen 2.655 N/A ARG 675.A NH1 LEU 674.A O no hydrogen 2.607 N/A ARG 675.A NH2 GLN 194.A OE1 no hydrogen 2.839 N/A ILE 680.A N SER 519.A OG no hydrogen 3.355 N/A LYS 682.A N LEU 517.A O no hydrogen 3.191 N/A GLY 684.A N TYR 515.A O no hydrogen 3.344 N/A LEU 690.A N MET 687.A O no hydrogen 3.299 N/A