Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2v0g_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 7.A NE2 LYS 653.A O no hydrogen 2.137 N/A ALA 8.A N ASN 5.A O no hydrogen 3.183 N/A ALA 8.A N ASN 5.A OD1 no hydrogen 3.166 N/A ILE 9.A N PRO 6.A O no hydrogen 2.665 N/A GLU 10.A N PRO 6.A O no hydrogen 2.924 N/A TRP 13.A N ILE 9.A O no hydrogen 3.355 N/A TRP 13.A NE1 GLU 789.A OE1 no hydrogen 2.900 N/A GLN 14.A NE2 LEU 114.A O no hydrogen 2.594 N/A GLN 14.A NE2 HIS 785.A NE2 no hydrogen 3.679 N/A ARG 15.A N ALA 11.A O no hydrogen 3.310 N/A TRP 17.A N TRP 13.A O no hydrogen 2.795 N/A TRP 17.A NE1 GLU 788.A OE1 no hydrogen 2.789 N/A GLU 18.A N GLN 14.A O no hydrogen 3.161 N/A GLU 19.A N ARG 15.A O no hydrogen 3.123 N/A LYS 20.A N PHE 16.A O no hydrogen 2.745 N/A GLY 21.A N GLU 18.A O no hydrogen 3.002 N/A PHE 22.A N TRP 17.A O no hydrogen 3.394 N/A LYS 24.A N PHE 22.A O no hydrogen 2.588 N/A LYS 24.A NZ ASP 122.A OD2 no hydrogen 2.703 N/A ALA 25.A N ASP 120.A OD1 no hydrogen 2.718 N/A LYS 34.A NZ TRP 529.A O no hydrogen 2.518 N/A LYS 34.A NZ ASP 533.A OD1 no hydrogen 2.933 N/A LYS 34.A NZ ASP 533.A OD2 no hydrogen 3.315 N/A GLN 35.A N GLU 72.A O no hydrogen 3.006 N/A GLN 35.A NE2 LYS 34.A O no hydrogen 3.321 N/A TYR 36.A N ASP 533.A OD1 no hydrogen 2.688 N/A TYR 36.A OH TYR 508.A O no hydrogen 2.711 N/A VAL 37.A N LEU 74.A O no hydrogen 2.894 N/A LEU 38.A N GLN 534.A O no hydrogen 3.000 N/A MET 40.A N ILE 536.A O no hydrogen 3.300 N/A GLY 46.A N ASN 104.A OD1 no hydrogen 3.291 N/A HIS 49.A N HIS 52.A ND1 no hydrogen 3.379 N/A MET 50.A N VAL 646.A O no hydrogen 3.057 N/A HIS 52.A N HIS 49.A O no hydrogen 2.449 N/A LYS 54.A N MET 50.A O no hydrogen 2.917 N/A THR 57.A N LEU 53.A O no hydrogen 3.129 N/A THR 57.A OG1 LEU 53.A O no hydrogen 3.267 N/A MET 58.A N LYS 54.A O no hydrogen 3.064 N/A ASP 60.A N TYR 56.A O no hydrogen 3.240 N/A VAL 61.A N THR 57.A O no hydrogen 2.880 N/A LEU 62.A N MET 58.A O no hydrogen 3.087 N/A ALA 63.A N GLY 59.A O no hydrogen 2.758 N/A ARG 64.A N ASP 60.A O no hydrogen 2.974 N/A ARG 64.A N VAL 61.A O no hydrogen 3.045 N/A ARG 64.A NE ASP 60.A OD1 no hydrogen 2.827 N/A ARG 64.A NH2 GLY 116.A O no hydrogen 2.848 N/A PHE 65.A N VAL 61.A O no hydrogen 3.074 N/A ARG 66.A N LEU 62.A O no hydrogen 3.121 N/A ARG 66.A NE GLN 35.A OE1 no hydrogen 3.016 N/A ARG 66.A NH1 GLN 69.A OE1 no hydrogen 3.306 N/A ARG 66.A NH1 GLU 737.A OE2 no hydrogen 3.487 N/A ARG 67.A N ALA 63.A O no hydrogen 3.265 N/A MET 68.A N ARG 64.A O no hydrogen 2.705 N/A GLN 69.A N PHE 65.A O no hydrogen 2.796 N/A GLY 70.A N ARG 67.A O no hydrogen 3.291 N/A TYR 71.A N ARG 66.A O no hydrogen 3.060 N/A GLU 72.A N GLY 33.A O no hydrogen 3.054 N/A LEU 74.A N GLN 35.A O no hydrogen 3.073 N/A HIS 75.A ND1 LEU 118.A O no hydrogen 2.649 N/A TRP 79.A N VAL 125.A O no hydrogen 3.033 N/A TRP 79.A NE1 GLU 124.A OE2 no hydrogen 2.937 N/A ASP 80.A N PRO 42.A O no hydrogen 3.246 N/A PHE 82.A N THR 127.A OG1 no hydrogen 3.165 N/A ASN 88.A N LEU 84.A O no hydrogen 2.674 N/A ALA 90.A N ALA 86.A O no hydrogen 2.898 N/A LEU 91.A N GLU 87.A O no hydrogen 2.807 N/A LYS 92.A N ASN 88.A O no hydrogen 2.886 N/A PHE 93.A N ALA 89.A O no hydrogen 2.872 N/A PHE 93.A N ALA 90.A O no hydrogen 2.992 N/A GLY 94.A N LEU 91.A O no hydrogen 2.636 N/A VAL 95.A N ALA 90.A O no hydrogen 2.715 N/A TRP 100.A N HIS 96.A O no hydrogen 3.062 N/A THR 101.A N PRO 97.A O no hydrogen 2.584 N/A TYR 102.A N LYS 98.A O no hydrogen 2.826 N/A ALA 103.A N TRP 100.A O no hydrogen 2.833 N/A ASN 104.A N TRP 100.A O no hydrogen 2.701 N/A ASN 104.A ND2 GLY 46.A O no hydrogen 2.566 N/A ILE 105.A N THR 101.A O no hydrogen 3.172 N/A GLN 107.A N ALA 103.A O no hydrogen 3.240 N/A GLN 107.A NE2 ALA 103.A O no hydrogen 3.600 N/A ALA 108.A N ASN 104.A O no hydrogen 3.016 N/A LYS 109.A N ILE 105.A O no hydrogen 2.988 N/A LYS 109.A NZ GLU 124.A OE1 no hydrogen 3.032 N/A GLU 110.A N ARG 106.A O no hydrogen 3.151 N/A SER 111.A N GLN 107.A O no hydrogen 2.935 N/A LEU 112.A N ALA 108.A O no hydrogen 2.953 N/A ARG 113.A N LYS 109.A O no hydrogen 2.879 N/A LEU 114.A N GLU 110.A O no hydrogen 3.080 N/A MET 115.A N SER 111.A O no hydrogen 3.150 N/A GLY 116.A N ARG 113.A O no hydrogen 2.804 N/A ILE 117.A N LEU 112.A O no hydrogen 3.280 N/A LEU 118.A N ASP 60.A OD2 no hydrogen 2.796 N/A ASP 120.A N HIS 75.A O no hydrogen 3.301 N/A ARG 123.A N ASP 120.A O no hydrogen 3.013 N/A ARG 123.A NH1 TYR 511.A O no hydrogen 2.865 N/A ARG 123.A NH2 ALA 25.A O no hydrogen 3.399 N/A GLU 124.A N TRP 121.A O no hydrogen 3.172 N/A THR 126.A OG1 GLU 129.A OE1 no hydrogen 2.544 N/A THR 127.A OG1 ASP 503.A OD1 no hydrogen 3.278 N/A GLU 129.A N THR 126.A O no hydrogen 2.703 N/A GLU 131.A N GLU 131.A OE2 no hydrogen 2.747 N/A TYR 133.A N GLU 129.A O no hydrogen 3.076 N/A ARG 134.A N PRO 130.A O no hydrogen 3.088 N/A TRP 135.A N TYR 132.A O no hydrogen 2.665 N/A GLN 137.A N ARG 134.A O no hydrogen 3.328 N/A GLN 137.A NE2 PRO 433.A O no hydrogen 2.389 N/A GLN 137.A NE2 VAL 454.A O no hydrogen 3.489 N/A TRP 138.A N ARG 134.A O no hydrogen 3.024 N/A ILE 139.A N TRP 135.A O no hydrogen 2.621 N/A LEU 141.A N GLN 137.A O no hydrogen 2.834 N/A LYS 142.A N TRP 138.A O no hydrogen 3.132 N/A MET 143.A N ILE 139.A O no hydrogen 2.751 N/A TRP 144.A N PHE 140.A O no hydrogen 2.752 N/A GLU 145.A N LEU 141.A O no hydrogen 2.965 N/A LYS 146.A NZ ASP 558.A O no hydrogen 2.867 N/A GLY 147.A N TRP 144.A O no hydrogen 3.009 N/A LEU 148.A N MET 143.A O no hydrogen 2.919 N/A ALA 149.A N MET 143.A O no hydrogen 3.194 N/A TYR 150.A N TYR 193.A O no hydrogen 2.995 N/A TYR 150.A OH ASP 421.A OD2 no hydrogen 2.622 N/A ARG 151.A NE GLU 190.A OE1 no hydrogen 3.352 N/A ARG 151.A NH2 GLU 190.A OE1 no hydrogen 3.248 N/A ALA 152.A N GLN 191.A O no hydrogen 3.205 N/A VAL 156.A N ARG 187.A O no hydrogen 2.731 N/A TRP 158.A N GLU 185.A O no hydrogen 2.428 N/A CYS 159.A N THR 164.A O no hydrogen 2.943 N/A GLN 163.A N PRO 160.A O no hydrogen 3.226 N/A THR 164.A N CYS 159.A O no hydrogen 3.260 N/A THR 164.A OG1 VAL 165.A O no hydrogen 3.212 N/A THR 164.A OG1 GLN 427.A OE1 no hydrogen 3.098 N/A VAL 165.A N GLN 427.A OE1 no hydrogen 3.294 N/A ALA 167.A N GLN 170.A OE1 no hydrogen 3.144 N/A GLN 170.A N ALA 167.A O no hydrogen 3.039 N/A GLN 170.A NE2 ASP 499.A OD2 no hydrogen 2.864 N/A VAL 171.A N ASN 168.A O no hydrogen 3.207 N/A VAL 172.A N ARG 175.A O no hydrogen 3.132 N/A ARG 175.A N VAL 172.A O no hydrogen 2.774 N/A CYS 176.A N THR 182.A O no hydrogen 3.122 N/A CYS 176.A SG HIS 179.A ND1 no hydrogen 2.874 N/A ASP 181.A N HIS 179.A O no hydrogen 2.635 N/A THR 182.A N HIS 179.A O no hydrogen 3.235 N/A THR 182.A OG1 ASP 181.A OD2 no hydrogen 2.835 N/A GLU 185.A N TRP 158.A O no hydrogen 2.960 N/A ARG 187.A N VAL 156.A O no hydrogen 2.764 N/A ARG 187.A NH1 LYS 186.A O no hydrogen 3.350 N/A LEU 189.A N GLY 154.A O no hydrogen 2.873 N/A GLN 191.A N ALA 152.A O no hydrogen 3.023 N/A TRP 192.A N SER 425.A OG no hydrogen 2.820 N/A TYR 193.A N TYR 150.A O no hydrogen 2.666 N/A LEU 194.A N TRP 422.A O no hydrogen 3.032 N/A ARG 195.A N LEU 148.A O no hydrogen 2.570 N/A ARG 195.A NE GLY 147.A O no hydrogen 3.580 N/A THR 197.A N ASP 421.A OD1 no hydrogen 2.959 N/A THR 197.A OG1 ASP 421.A OD1 no hydrogen 2.943 N/A THR 197.A OG1 ASP 421.A OD2 no hydrogen 3.548 N/A TYR 199.A N ILE 196.A O no hydrogen 3.031 N/A TYR 199.A OH ASP 558.A OD2 no hydrogen 3.088 N/A ALA 200.A N THR 197.A O no hydrogen 3.247 N/A ARG 202.A NH1 ASP 558.A OD1 no hydrogen 3.224 N/A ARG 202.A NH1 ASP 558.A OD2 no hydrogen 2.894 N/A ARG 202.A NH2 ASP 558.A OD1 no hydrogen 3.356 N/A ARG 202.A NH2 ASP 558.A OD2 no hydrogen 3.168 N/A LEU 203.A N TYR 199.A O no hydrogen 2.697 N/A LEU 204.A N ALA 200.A O no hydrogen 2.966 N/A LYS 205.A N GLU 201.A O no hydrogen 2.597 N/A ASP 206.A N ARG 202.A O no hydrogen 2.972 N/A LEU 207.A N LEU 204.A O no hydrogen 3.378 N/A LEU 210.A N LEU 207.A O no hydrogen 2.956 N/A TRP 212.A N LEU 210.A O no hydrogen 3.059 N/A TRP 212.A NE1 PHE 568.A O no hydrogen 3.009 N/A VAL 216.A N PRO 213.A O no hydrogen 2.914 N/A LYS 217.A N PRO 213.A O no hydrogen 3.406 N/A ALA 218.A N GLU 214.A O no hydrogen 2.876 N/A MET 219.A N LYS 215.A O no hydrogen 3.210 N/A GLN 220.A N VAL 216.A O no hydrogen 3.033 N/A GLN 220.A NE2 LEU 546.A O no hydrogen 3.088 N/A ARG 221.A N LYS 217.A O no hydrogen 2.816 N/A ALA 222.A N ALA 218.A O no hydrogen 3.478 N/A TRP 223.A N MET 219.A O no hydrogen 3.056 N/A ILE 224.A N GLN 220.A O no hydrogen 3.323 N/A GLY 225.A N ARG 221.A O no hydrogen 3.087 N/A ARG 226.A NE GLU 228.A OE2 no hydrogen 3.469 N/A ARG 226.A NH2 GLU 228.A OE2 no hydrogen 3.447 N/A ALA 230.A N THR 247.A O no hydrogen 2.872 N/A ILE 232.A N VAL 245.A O no hydrogen 3.157 N/A LEU 233.A N LEU 410.A O no hydrogen 2.895 N/A PHE 234.A N ILE 243.A O no hydrogen 2.727 N/A VAL 236.A N VAL 241.A O no hydrogen 3.439 N/A ILE 243.A N PHE 234.A O no hydrogen 2.622 N/A VAL 245.A N ILE 232.A O no hydrogen 2.867 N/A THR 247.A N ALA 230.A O no hydrogen 3.159 N/A ARG 249.A N THR 247.A OG1 no hydrogen 2.697 N/A ARG 249.A NE ASP 251.A OD1 no hydrogen 3.205 N/A ARG 249.A NE ASP 251.A OD2 no hydrogen 2.836 N/A ARG 249.A NH1 GLU 378.A O no hydrogen 3.090 N/A ARG 249.A NH2 ASP 251.A OD2 no hydrogen 3.136 N/A THR 252.A N ARG 249.A O no hydrogen 3.164 N/A THR 252.A OG1 ARG 249.A O no hydrogen 2.607 N/A LEU 253.A N PRO 250.A O no hydrogen 3.227 N/A GLY 255.A N THR 252.A O no hydrogen 2.294 N/A ALA 256.A N LEU 253.A O no hydrogen 3.164 N/A THR 257.A N ALA 339.A O no hydrogen 3.516 N/A THR 257.A OG1 PRO 357.A O no hydrogen 2.879 N/A LEU 259.A N PRO 321.A O no hydrogen 3.330 N/A VAL 260.A N ILE 337.A O no hydrogen 3.254 N/A LEU 261.A N TRP 323.A O no hydrogen 3.011 N/A ALA 262.A N GLY 335.A O no hydrogen 2.719 N/A GLU 264.A N GLU 264.A OE2 no hydrogen 2.873 N/A HIS 265.A N ALA 262.A O no hydrogen 2.530 N/A LEU 267.A N HIS 265.A ND1 no hydrogen 3.117 N/A THR 268.A N HIS 265.A O no hydrogen 2.994 N/A THR 268.A OG1 ALA 262.A O no hydrogen 3.539 N/A THR 268.A OG1 PRO 263.A O no hydrogen 3.347 N/A THR 268.A OG1 HIS 265.A O no hydrogen 3.377 N/A GLU 270.A N PRO 266.A O no hydrogen 3.422 N/A LEU 271.A N LEU 267.A O no hydrogen 3.174 N/A ALA 272.A N THR 268.A O no hydrogen 3.176 N/A ALA 273.A N LEU 307.A O no hydrogen 3.019 N/A ARG 277.A N ALA 273.A O no hydrogen 2.553 N/A VAL 280.A N LYS 276.A O no hydrogen 2.924 N/A LEU 281.A N ARG 277.A O no hydrogen 3.067 N/A ALA 282.A N GLU 278.A O no hydrogen 3.309 N/A TYR 283.A N GLU 279.A O no hydrogen 3.348 N/A ALA 286.A N ALA 282.A O no hydrogen 2.976 N/A ALA 287.A N TYR 283.A O no hydrogen 2.864 N/A LYS 288.A N VAL 284.A O no hydrogen 2.705 N/A LYS 290.A N ALA 286.A O no hydrogen 3.168 N/A LYS 290.A N ALA 287.A O no hydrogen 3.055 N/A LYS 290.A NZ GLU 298.A OE1 no hydrogen 2.781 N/A LYS 290.A NZ GLU 298.A OE2 no hydrogen 3.076 N/A ARG 295.A N THR 291.A O no hydrogen 3.047 N/A ALA 297.A N ILE 293.A O no hydrogen 3.266 N/A GLU 298.A N GLU 294.A O no hydrogen 2.868 N/A THR 303.A OG1 GLU 301.A O no hydrogen 3.199 N/A LEU 307.A N ILE 322.A O no hydrogen 3.186 N/A LEU 312.A N PRO 235.A O no hydrogen 2.954 N/A ASN 313.A N GLU 318.A O no hydrogen 2.771 N/A ASN 313.A ND2 LEU 253.A O no hydrogen 3.131 N/A ASN 313.A ND2 ALA 256.A O no hydrogen 3.383 N/A ALA 315.A N ASN 313.A OD1 no hydrogen 3.063 N/A GLY 317.A N ASN 313.A O no hydrogen 2.730 N/A TRP 323.A N LEU 259.A O no hydrogen 2.720 N/A THR 324.A N VAL 305.A O no hydrogen 3.083 N/A THR 324.A OG1 LEU 261.A O no hydrogen 3.163 N/A TYR 327.A OH ASP 347.A OD1 no hydrogen 2.610 N/A THR 334.A OG1 PRO 244.A O no hydrogen 3.209 N/A GLY 335.A N TYR 332.A O no hydrogen 3.268 N/A ILE 337.A N VAL 260.A O no hydrogen 3.192 N/A ALA 339.A N PHE 258.A O no hydrogen 2.820 N/A HIS 343.A ND1 TYR 377.A O no hydrogen 3.272 N/A ARG 346.A NE ASP 344.A OD2 no hydrogen 3.208 N/A ARG 346.A NH2 ASP 344.A OD2 no hydrogen 3.225 N/A ASP 347.A N ASP 344.A OD1 no hydrogen 3.351 N/A TYR 348.A N ASP 344.A O no hydrogen 2.796 N/A TYR 348.A OH LEU 373.A O no hydrogen 3.163 N/A GLU 349.A N GLN 345.A O no hydrogen 2.713 N/A PHE 350.A N ARG 346.A O no hydrogen 3.119 N/A ALA 351.A N ASP 347.A O no hydrogen 2.752 N/A ARG 352.A N TYR 348.A O no hydrogen 2.504 N/A LYS 353.A N GLU 349.A O no hydrogen 2.980 N/A LYS 353.A NZ LYS 302.A O no hydrogen 3.338 N/A PHE 354.A N PHE 350.A O no hydrogen 2.893 N/A LYS 359.A NZ PHE 254.A O no hydrogen 3.280 N/A LYS 360.A NZ GLU 363.A OE2 no hydrogen 3.344 N/A LYS 360.A NZ GLU 371.A OE1 no hydrogen 3.237 N/A VAL 361.A N HIS 343.A NE2 no hydrogen 3.277 N/A ILE 362.A N HIS 343.A NE2 no hydrogen 3.286 N/A ARG 364.A N GLU 363.A OE1 no hydrogen 3.056 N/A ARG 364.A NE GLU 367.A O no hydrogen 2.961 N/A ARG 364.A NH2 PRO 368.A O no hydrogen 2.897 N/A LEU 369.A N GLU 363.A OE1 no hydrogen 2.510 N/A ALA 376.A N GLN 345.A OE1 no hydrogen 2.867 N/A ILE 382.A N GLU 363.A O no hydrogen 3.138 N/A MET 383.A N THR 392.A O no hydrogen 2.763 N/A VAL 384.A N VAL 361.A O no hydrogen 2.555 N/A ASN 385.A ND2 LYS 360.A O no hydrogen 3.570 N/A SER 386.A N ASP 390.A OD1 no hydrogen 2.671 N/A SER 386.A OG VAL 384.A O no hydrogen 2.667 N/A PHE 389.A N SER 386.A O no hydrogen 3.387 N/A ASP 390.A N GLY 387.A O no hydrogen 3.313 N/A GLY 391.A N MET 383.A O no hydrogen 2.951 N/A THR 392.A N PHE 389.A O no hydrogen 2.903 N/A THR 392.A OG1 PHE 389.A O no hydrogen 2.567 N/A SER 394.A N GLY 381.A O no hydrogen 2.631 N/A GLY 397.A N GLU 393.A O no hydrogen 2.697 N/A LYS 398.A N SER 394.A O no hydrogen 3.453 N/A LYS 400.A N GLU 396.A O no hydrogen 3.195 N/A VAL 401.A N GLY 397.A O no hydrogen 2.885 N/A ILE 402.A N LYS 398.A O no hydrogen 2.850 N/A ALA 403.A N ARG 399.A O no hydrogen 2.959 N/A TRP 404.A N LYS 400.A O no hydrogen 2.583 N/A LEU 405.A N VAL 401.A O no hydrogen 3.104 N/A LEU 405.A N ILE 402.A O no hydrogen 3.030 N/A GLU 406.A N ILE 402.A O no hydrogen 2.956 N/A GLU 407.A N ALA 403.A O no hydrogen 3.254 N/A GLY 409.A N LEU 405.A O no hydrogen 2.802 N/A LYS 412.A N GLU 231.A O no hydrogen 3.013 N/A ARG 414.A N GLY 229.A O no hydrogen 3.089 N/A TYR 417.A OH GLU 201.A OE1 no hydrogen 2.601 N/A ARG 418.A N GLY 225.A O no hydrogen 2.985 N/A LEU 419.A N ILE 224.A O no hydrogen 2.846 N/A TRP 422.A N LEU 194.A O no hydrogen 3.226 N/A ILE 424.A N TRP 192.A O no hydrogen 3.202 N/A SER 425.A OG TRP 192.A O no hydrogen 3.307 N/A ARG 426.A N THR 497.A O no hydrogen 2.868 N/A ARG 426.A NH1 LEU 423.A O no hydrogen 3.235 N/A ARG 426.A NH1 SER 425.A O no hydrogen 3.233 N/A ARG 426.A NH2 GLN 170.A OE1 no hydrogen 2.736 N/A ARG 426.A NH2 LEU 423.A O no hydrogen 3.266 N/A ARG 426.A NH2 ASP 499.A OD2 no hydrogen 2.691 N/A GLN 427.A N THR 164.A OG1 no hydrogen 2.986 N/A GLN 427.A NE2 ASP 496.A OD1 no hydrogen 2.578 N/A ARG 428.A NE GLU 87.A OE1 no hydrogen 2.931 N/A ARG 428.A NH1 ASN 88.A OD1 no hydrogen 3.193 N/A ARG 428.A NH1 CYS 162.A O no hydrogen 3.092 N/A ARG 428.A NH2 ASN 88.A OD1 no hydrogen 2.999 N/A TYR 429.A OH PRO 457.A O no hydrogen 2.727 N/A TRP 430.A NE1 ALA 81.A O no hydrogen 2.759 N/A ILE 434.A N ASP 496.A O no hydrogen 3.367 N/A VAL 437.A N VAL 445.A O no hydrogen 3.161 N/A HIS 438.A N LYS 492.A O no hydrogen 2.813 N/A VAL 445.A N VAL 437.A O no hydrogen 3.066 N/A GLU 451.A N PRO 448.A O no hydrogen 3.266 N/A LEU 452.A N GLU 449.A O no hydrogen 3.075 N/A VAL 454.A N GLN 137.A OE1 no hydrogen 3.349 N/A ASP 464.A N ASP 461.A O no hydrogen 3.008 N/A ILE 465.A N ASP 461.A O no hydrogen 3.468 N/A LYS 468.A NZ ASP 464.A O no hydrogen 3.410 N/A SER 471.A OG THR 495.A O no hydrogen 2.249 N/A LEU 473.A N SER 471.A OG no hydrogen 3.425 N/A GLU 474.A N SER 471.A O no hydrogen 2.978 N/A HIS 476.A N LEU 473.A O no hydrogen 2.899 N/A HIS 476.A NE2 ASP 464.A OD1 no hydrogen 2.897 N/A GLU 478.A N GLU 478.A OE1 no hydrogen 2.631 N/A GLU 481.A N PRO 477.A O no hydrogen 2.602 N/A THR 482.A N ALA 491.A O no hydrogen 2.918 N/A ARG 493.A N TYR 480.A O no hydrogen 2.992 N/A ASP 494.A N MET 436.A O no hydrogen 3.000 N/A THR 495.A OG1 GLU 474.A OE1 no hydrogen 3.016 N/A THR 497.A N ARG 426.A O no hydrogen 3.117 N/A THR 497.A OG1 ARG 426.A O no hydrogen 3.052 N/A THR 497.A OG1 ARG 428.A O no hydrogen 3.292 N/A MET 498.A N THR 432.A O no hydrogen 2.660 N/A ASP 499.A N ILE 424.A O no hydrogen 3.181 N/A THR 500.A OG1 PHE 82.A O no hydrogen 2.834 N/A THR 500.A OG1 ASP 503.A OD1 no hydrogen 3.507 N/A PHE 501.A N ASP 499.A OD1 no hydrogen 3.370 N/A PHE 502.A N ASP 499.A O no hydrogen 3.038 N/A SER 504.A N THR 500.A O no hydrogen 3.394 N/A SER 504.A OG ASP 80.A OD2 no hydrogen 3.146 N/A SER 504.A OG THR 500.A O no hydrogen 2.842 N/A SER 505.A OG PHE 501.A O no hydrogen 2.829 N/A SER 505.A OG SER 504.A O no hydrogen 2.679 N/A TYR 507.A OH TYR 535.A OH no hydrogen 2.962 N/A TYR 508.A OH THR 553.A OG1 no hydrogen 2.562 N/A LEU 509.A N TRP 506.A O no hydrogen 2.314 N/A ARG 510.A N TRP 506.A O no hydrogen 2.954 N/A ARG 510.A NH1 LEU 519.A O no hydrogen 3.296 N/A ARG 510.A NH2 ASN 516.A O no hydrogen 3.088 N/A TYR 511.A N TYR 507.A O no hydrogen 2.943 N/A THR 512.A N LEU 509.A O no hydrogen 3.309 N/A THR 512.A OG1 LEU 509.A O no hydrogen 3.044 N/A ASP 513.A N ARG 510.A O no hydrogen 2.926 N/A ASN 516.A N ASP 513.A O no hydrogen 3.389 N/A ASN 516.A ND2 ASP 513.A OD2 no hydrogen 2.744 N/A ARG 518.A N ASN 516.A OD1 no hydrogen 2.866 N/A LEU 519.A N ASN 516.A OD1 no hydrogen 2.863 N/A ASP 522.A N ASP 513.A OD2 no hydrogen 3.132 N/A LYS 525.A N ASP 522.A O no hydrogen 2.876 N/A LYS 525.A NZ ASP 513.A OD1 no hydrogen 2.422 N/A ALA 526.A N ASP 522.A O no hydrogen 3.204 N/A ASN 527.A N PRO 523.A O no hydrogen 2.717 N/A ALA 528.A N LYS 525.A O no hydrogen 2.977 N/A TRP 529.A N ALA 526.A O no hydrogen 3.164 N/A MET 530.A N ALA 526.A O no hydrogen 2.932 N/A VAL 532.A N PRO 567.A O no hydrogen 2.880 N/A ASP 533.A N TYR 36.A O no hydrogen 3.214 N/A TYR 535.A N GLY 570.A O no hydrogen 2.765 N/A TYR 535.A OH TYR 507.A OH no hydrogen 2.962 N/A TYR 535.A OH HIS 545.A NE2 no hydrogen 2.446 N/A ILE 536.A N LEU 38.A O no hydrogen 2.752 N/A GLY 537.A N PHE 572.A O no hydrogen 3.133 N/A ALA 542.A N VAL 539.A O no hydrogen 2.879 N/A LEU 544.A N HIS 541.A O no hydrogen 3.231 N/A HIS 545.A ND1 SER 504.A O no hydrogen 2.405 N/A LEU 546.A N HIS 541.A O no hydrogen 3.183 N/A TYR 548.A N LEU 544.A O no hydrogen 2.741 N/A TYR 548.A OH GLU 169.A OE1 no hydrogen 2.491 N/A SER 549.A N HIS 545.A O no hydrogen 2.737 N/A SER 549.A OG HIS 545.A O no hydrogen 3.037 N/A ARG 550.A N LEU 547.A O no hydrogen 3.105 N/A ARG 550.A NE GLU 566.A OE2 no hydrogen 3.423 N/A ARG 550.A NH1 LEU 203.A O no hydrogen 3.346 N/A ARG 550.A NH1 GLN 220.A OE1 no hydrogen 3.140 N/A ARG 550.A NH2 LEU 203.A O no hydrogen 3.065 N/A ARG 550.A NH2 GLU 566.A OE2 no hydrogen 2.842 N/A PHE 551.A N LEU 547.A O no hydrogen 3.395 N/A PHE 552.A N TYR 548.A O no hydrogen 3.020 N/A THR 553.A N SER 549.A O no hydrogen 2.819 N/A THR 553.A OG1 TYR 508.A OH no hydrogen 2.562 N/A THR 553.A OG1 SER 549.A O no hydrogen 3.274 N/A LYS 554.A N ARG 550.A O no hydrogen 2.753 N/A LYS 554.A NZ GLU 565.A O no hydrogen 3.011 N/A LYS 554.A NZ GLU 566.A OE2 no hydrogen 2.747 N/A PHE 555.A N PHE 551.A O no hydrogen 2.865 N/A LEU 556.A N PHE 552.A O no hydrogen 2.798 N/A HIS 557.A N THR 553.A O no hydrogen 3.192 N/A ASP 558.A N LYS 554.A O no hydrogen 2.656 N/A LEU 559.A N LEU 556.A O no hydrogen 3.163 N/A GLY 560.A N HIS 557.A O no hydrogen 2.856 N/A MET 561.A N LEU 556.A O no hydrogen 3.156 N/A LYS 563.A N ASN 527.A OD1 no hydrogen 2.802 N/A GLN 569.A N VAL 532.A O no hydrogen 2.823 N/A PHE 572.A N TYR 535.A O no hydrogen 2.947 N/A GLY 575.A N PRO 670.A O no hydrogen 3.069 N/A LEU 578.A N MET 674.A O no hydrogen 2.689 N/A ALA 579.A N ALA 636.A O no hydrogen 2.763 N/A THR 581.A N LYS 634.A O no hydrogen 2.834 N/A THR 581.A OG1 ALA 579.A O no hydrogen 3.365 N/A PHE 583.A N LEU 632.A O no hydrogen 2.912 N/A VAL 586.A N LEU 630.A O no hydrogen 3.356 N/A GLU 587.A N ARG 594.A O no hydrogen 3.119 N/A GLU 589.A N VAL 592.A O no hydrogen 3.121 N/A VAL 592.A N GLU 589.A O no hydrogen 3.136 N/A VAL 593.A N LEU 610.A O no hydrogen 2.660 N/A ARG 594.A N GLU 587.A O no hydrogen 3.008 N/A LEU 595.A N SER 608.A O no hydrogen 2.730 N/A THR 599.A OG1 PRO 585.A O no hydrogen 3.109 N/A ARG 600.A N PRO 596.A O no hydrogen 3.192 N/A ILE 601.A N GLU 597.A O no hydrogen 3.294 N/A ARG 602.A N PRO 598.A O no hydrogen 3.027 N/A ARG 602.A NE PHE 583.A O no hydrogen 3.209 N/A LEU 603.A N THR 599.A O no hydrogen 3.342 N/A GLU 604.A N ARG 600.A O no hydrogen 2.943 N/A SER 611.A OG ASP 614.A OD2 no hydrogen 2.709 N/A ASP 614.A N SER 611.A OG no hydrogen 2.654 N/A VAL 615.A N SER 611.A O no hydrogen 3.138 N/A VAL 615.A N LEU 612.A O no hydrogen 2.919 N/A ARG 616.A N LEU 612.A O no hydrogen 3.134 N/A LYS 617.A N GLU 613.A O no hydrogen 3.060 N/A MET 618.A N VAL 615.A O no hydrogen 3.151 N/A GLY 619.A N ARG 616.A O no hydrogen 2.564 N/A GLU 621.A N TRP 633.A O no hydrogen 2.748 N/A ARG 623.A N HIS 631.A O no hydrogen 2.605 N/A GLY 628.A N HIS 625.A O no hydrogen 3.436 N/A THR 629.A N ASP 627.A OD2 no hydrogen 2.974 N/A THR 629.A OG1 ASP 627.A OD1 no hydrogen 3.157 N/A THR 629.A OG1 ASP 627.A OD2 no hydrogen 2.221 N/A HIS 631.A N ARG 623.A O no hydrogen 2.583 N/A HIS 631.A ND1 ASP 582.A OD1 no hydrogen 3.091 N/A HIS 631.A ND1 ASP 582.A OD2 no hydrogen 3.173 N/A LEU 632.A N GLY 584.A O no hydrogen 3.108 N/A TRP 633.A N GLU 621.A O no hydrogen 2.638 N/A LYS 634.A N THR 581.A O no hydrogen 3.205 N/A ALA 636.A N ALA 579.A O no hydrogen 2.594 N/A MET 638.A N VAL 577.A O no hydrogen 3.224 N/A SER 639.A N ASN 644.A OD1 no hydrogen 2.819 N/A LYS 642.A N SER 639.A OG no hydrogen 2.921 N/A GLY 643.A N LYS 640.A O no hydrogen 2.650 N/A ASN 644.A N SER 639.A O no hydrogen 3.344 N/A ASN 644.A ND2 THR 581.A OG1 no hydrogen 2.681 N/A ASN 644.A ND2 VAL 637.A O no hydrogen 3.113 N/A PHE 651.A N MET 647.A O no hydrogen 3.269 N/A VAL 652.A N VAL 648.A O no hydrogen 2.800 N/A LYS 653.A N PRO 650.A O no hydrogen 2.855 N/A GLU 654.A N PRO 650.A O no hydrogen 3.351 N/A ALA 657.A N GLU 10.A OE1 no hydrogen 2.307 N/A ALA 660.A N GLY 656.A O no hydrogen 3.397 N/A ARG 661.A N ALA 657.A O no hydrogen 2.749 N/A ARG 661.A NE PHE 782.A O no hydrogen 2.787 N/A ARG 661.A NH1 MET 115.A O no hydrogen 3.355 N/A ARG 661.A NH2 ASP 60.A OD1 no hydrogen 3.050 N/A ARG 661.A NH2 PRO 781.A O no hydrogen 3.063 N/A ILE 662.A N ASP 658.A O no hydrogen 2.698 N/A THR 663.A N ILE 659.A O no hydrogen 2.896 N/A THR 663.A OG1 ILE 659.A O no hydrogen 2.594 N/A ILE 664.A N ALA 660.A O no hydrogen 3.019 N/A LEU 665.A N ARG 661.A O no hydrogen 2.838 N/A PHE 666.A N ILE 662.A O no hydrogen 2.906 N/A GLU 671.A N GLU 671.A OE1 no hydrogen 3.174 N/A MET 674.A N MET 576.A O no hydrogen 3.227 N/A TRP 676.A N LEU 578.A O no hydrogen 2.745 N/A GLY 680.A N THR 677.A O no hydrogen 2.908 N/A GLY 680.A N THR 677.A OG1 no hydrogen 3.158 N/A VAL 681.A N THR 677.A O no hydrogen 2.830 N/A GLN 682.A N GLU 678.A O no hydrogen 2.996 N/A GLY 683.A N GLU 679.A O no hydrogen 3.374 N/A ALA 684.A N GLY 680.A O no hydrogen 3.063 N/A TRP 685.A N VAL 681.A O no hydrogen 3.235 N/A TRP 685.A NE1 GLN 655.A OE1 no hydrogen 3.034 N/A ARG 686.A N GLN 682.A O no hydrogen 2.940 N/A PHE 687.A N GLY 683.A O no hydrogen 2.852 N/A LEU 688.A N ALA 684.A O no hydrogen 2.725 N/A ASN 689.A N ARG 686.A O no hydrogen 2.954 N/A ASN 689.A ND2 TRP 685.A O no hydrogen 2.548 N/A ARG 690.A N ARG 686.A O no hydrogen 3.172 N/A ARG 690.A NH1 ASN 753.A OD1 no hydrogen 2.926 N/A ILE 691.A N PHE 687.A O no hydrogen 3.469 N/A TYR 692.A N LEU 688.A O no hydrogen 3.232 N/A TYR 692.A OH GLU 2.A OE2 no hydrogen 2.853 N/A ARG 693.A N ASN 689.A O no hydrogen 2.631 N/A ARG 694.A NE ARG 694.A O no hydrogen 3.261 N/A ARG 694.A NE ASP 698.A OD2 no hydrogen 3.245 N/A ARG 694.A NH2 ASP 698.A OD1 no hydrogen 3.351 N/A ARG 694.A NH2 ASP 698.A OD2 no hydrogen 3.318 N/A VAL 695.A N ILE 691.A O no hydrogen 3.324 N/A ALA 696.A N TYR 692.A O no hydrogen 2.733 N/A GLU 697.A N ARG 693.A O no hydrogen 2.586 N/A ARG 699.A N ALA 696.A O no hydrogen 3.252 N/A LEU 703.A N ARG 699.A O no hydrogen 3.273 N/A THR 705.A OG1 ALA 701.A O no hydrogen 2.820 N/A THR 705.A OG1 LEU 702.A O no hydrogen 3.189 N/A ALA 713.A N GLN 710.A O no hydrogen 2.912 N/A LEU 714.A N ALA 711.A O no hydrogen 3.500 N/A LYS 717.A NZ ASP 761.A OD2 no hydrogen 2.780 N/A ARG 719.A NH2 ASP 815.A OD2 no hydrogen 3.345 N/A GLU 720.A N GLY 716.A O no hydrogen 3.311 N/A LEU 721.A N LYS 717.A O no hydrogen 2.986 N/A TYR 722.A N ASP 718.A O no hydrogen 3.466 N/A TYR 722.A OH ASP 808.A OD2 no hydrogen 2.522 N/A GLY 723.A N ARG 719.A O no hydrogen 3.354 N/A LYS 724.A N GLU 720.A O no hydrogen 2.903 N/A LEU 725.A N LEU 721.A O no hydrogen 2.809 N/A HIS 726.A N TYR 722.A O no hydrogen 3.382 N/A GLU 727.A N GLY 723.A O no hydrogen 2.887 N/A THR 728.A N LYS 724.A O no hydrogen 2.727 N/A THR 728.A OG1 ALA 747.A O no hydrogen 3.526 N/A LEU 729.A N LEU 725.A O no hydrogen 2.760 N/A LYS 730.A N HIS 726.A O no hydrogen 3.240 N/A LYS 730.A NZ GLU 734.A OE1 no hydrogen 3.496 N/A LYS 731.A N GLU 727.A O no hydrogen 3.282 N/A LYS 731.A NZ ASP 735.A OD1 no hydrogen 3.282 N/A LYS 731.A NZ ASP 735.A OD2 no hydrogen 2.530 N/A VAL 732.A N THR 728.A O no hydrogen 2.760 N/A THR 733.A N LEU 729.A O no hydrogen 2.627 N/A THR 733.A OG1 LEU 729.A O no hydrogen 3.141 N/A GLU 734.A N LYS 730.A O no hydrogen 2.766 N/A ASP 735.A N LYS 731.A O no hydrogen 2.982 N/A LEU 736.A N VAL 732.A O no hydrogen 2.931 N/A LEU 736.A N THR 733.A O no hydrogen 3.277 N/A GLU 737.A N THR 733.A O no hydrogen 3.281 N/A ALA 738.A N GLU 734.A O no hydrogen 3.142 N/A LEU 739.A N LEU 736.A O no hydrogen 3.117 N/A ARG 740.A N ASP 735.A O no hydrogen 2.913 N/A THR 743.A OG1 ASP 735.A OD2 no hydrogen 3.338 N/A THR 743.A OG1 ARG 740.A O no hydrogen 2.852 N/A THR 743.A OG1 ASN 742.A OD1 no hydrogen 3.210 N/A ALA 744.A N ARG 740.A O no hydrogen 2.902 N/A ILE 745.A N PHE 741.A O no hydrogen 3.052 N/A ALA 746.A N ASN 742.A O no hydrogen 3.134 N/A ALA 747.A N THR 743.A O no hydrogen 2.953 N/A LEU 748.A N ALA 744.A O no hydrogen 3.324 N/A LEU 748.A N ILE 745.A O no hydrogen 2.422 N/A MET 749.A N ILE 745.A O no hydrogen 3.064 N/A MET 749.A N ALA 746.A O no hydrogen 2.865 N/A GLU 750.A N ALA 746.A O no hydrogen 3.055 N/A LEU 752.A N LEU 748.A O no hydrogen 3.320 N/A ASN 753.A N MET 749.A O no hydrogen 2.776 N/A ALA 754.A N GLU 750.A O no hydrogen 3.065 N/A LEU 755.A N PHE 751.A O no hydrogen 2.548 N/A TYR 756.A N LEU 752.A O no hydrogen 2.925 N/A TYR 756.A N ASN 753.A O no hydrogen 2.734 N/A TYR 756.A OH ARG 690.A O no hydrogen 3.029 N/A GLU 757.A N ASN 753.A O no hydrogen 2.959 N/A TYR 758.A N ALA 754.A O no hydrogen 2.701 N/A TYR 758.A OH ASP 718.A OD1 no hydrogen 2.637 N/A TYR 758.A OH THR 765.A OG1 no hydrogen 2.334 N/A ARG 759.A N LEU 755.A O no hydrogen 3.328 N/A ARG 759.A NH1 ARG 759.A O no hydrogen 3.327 N/A ARG 759.A NH1 ARG 762.A O no hydrogen 3.517 N/A ARG 759.A NH2 ASP 698.A OD1 no hydrogen 2.834 N/A LYS 760.A N TYR 756.A O no hydrogen 3.289 N/A LYS 760.A NZ GLU 757.A OE1 no hydrogen 3.402 N/A ARG 762.A N ARG 759.A O no hydrogen 3.283 N/A THR 765.A OG1 ASP 718.A OD1 no hydrogen 3.486 N/A THR 765.A OG1 TYR 758.A OH no hydrogen 2.334 N/A THR 765.A OG1 PRO 763.A O no hydrogen 3.431 N/A TYR 768.A N THR 765.A O no hydrogen 2.581 N/A TYR 768.A OH ASP 698.A OD2 no hydrogen 2.435 N/A ARG 769.A N THR 765.A O no hydrogen 3.166 N/A THR 770.A N PRO 766.A O no hydrogen 2.963 N/A THR 770.A OG1 GLY 707.A O no hydrogen 3.242 N/A ALA 771.A N VAL 767.A O no hydrogen 2.482 N/A ILE 772.A N TYR 768.A O no hydrogen 2.793 N/A ARG 773.A N ARG 769.A O no hydrogen 2.732 N/A ARG 773.A NE GLN 777.A OE1 no hydrogen 3.013 N/A TYR 774.A N THR 770.A O no hydrogen 3.154 N/A TYR 775.A N ALA 771.A O no hydrogen 3.078 N/A LEU 776.A N ILE 772.A O no hydrogen 3.003 N/A GLN 777.A N ARG 773.A O no hydrogen 3.349 N/A GLN 777.A NE2 GLY 803.A O no hydrogen 2.599 N/A MET 778.A N TYR 774.A O no hydrogen 2.844 N/A LEU 779.A N LEU 776.A O no hydrogen 3.134 N/A PHE 780.A N LEU 776.A O no hydrogen 3.095 N/A PHE 782.A N LEU 779.A O no hydrogen 2.920 N/A ALA 783.A N LEU 779.A O no hydrogen 3.029 N/A HIS 785.A ND1 ASP 658.A OD1 no hydrogen 2.117 N/A LEU 786.A N ASP 658.A OD2 no hydrogen 2.852 N/A ALA 787.A N ALA 783.A O no hydrogen 2.914 N/A GLU 788.A N PRO 784.A O no hydrogen 2.792 N/A GLU 789.A N HIS 785.A O no hydrogen 2.852 N/A LEU 790.A N LEU 786.A O no hydrogen 3.393 N/A HIS 792.A N GLU 788.A O no hydrogen 3.072 N/A TRP 793.A N GLU 789.A O no hydrogen 3.314 N/A TRP 793.A N LEU 790.A O no hydrogen 3.222 N/A PHE 794.A N TRP 791.A O no hydrogen 2.843 N/A TRP 795.A N TRP 791.A O no hydrogen 2.891 N/A SER 798.A OG GLU 788.A OE1 no hydrogen 3.448 N/A LEU 799.A N GLU 788.A OE2 no hydrogen 3.204 N/A PHE 800.A N SER 798.A OG no hydrogen 2.689 N/A GLU 801.A N SER 798.A O no hydrogen 3.344 N/A ALA 802.A N LEU 799.A O no hydrogen 3.291 N/A TRP 804.A NE1 THR 733.A OG1 no hydrogen 2.819 N/A LYS 810.A N ASP 808.A OD1 no hydrogen 3.111 N/A ALA 811.A N ASP 808.A O no hydrogen 3.198 N/A LEU 812.A N GLU 809.A O no hydrogen 3.191 N/A VAL 817.A N ILE 833.A O no hydrogen 3.138 N/A VAL 819.A N ILE 831.A O no hydrogen 2.685 N/A ALA 820.A N LYS 870.A O no hydrogen 3.099 N/A VAL 821.A N GLY 829.A O no hydrogen 2.510 N/A GLN 822.A N LEU 872.A O no hydrogen 2.843 N/A VAL 823.A N ARG 826.A O no hydrogen 3.381 N/A ASN 824.A N LEU 874.A O no hydrogen 2.892 N/A ARG 828.A NH2 VAL 823.A O no hydrogen 3.017 N/A GLY 829.A N VAL 821.A O no hydrogen 3.182 N/A THR 830.A OG1 GLU 818.A OE2 no hydrogen 2.684 N/A ILE 831.A N VAL 819.A O no hydrogen 2.768 N/A ALA 837.A N PRO 834.A O no hydrogen 2.984 N/A GLU 840.A N GLU 840.A OE2 no hydrogen 2.966 N/A VAL 841.A N PRO 838.A O no hydrogen 2.767 N/A ALA 842.A N PRO 838.A O no hydrogen 3.470 N/A ARG 843.A N LEU 839.A O no hydrogen 3.169 N/A GLU 845.A N VAL 841.A O no hydrogen 3.032 N/A ALA 846.A N ALA 842.A O no hydrogen 2.815 N/A LEU 847.A N ARG 843.A O no hydrogen 3.142 N/A VAL 852.A N VAL 849.A O no hydrogen 3.439 N/A HIS 855.A N VAL 852.A O no hydrogen 2.951 N/A LEU 856.A N VAL 852.A O no hydrogen 3.115 N/A GLY 858.A N HIS 855.A O no hydrogen 3.063 N/A ILE 865.A N ASN 873.A O no hydrogen 2.818 N/A LEU 872.A N ALA 820.A O no hydrogen 3.040 N/A ASN 873.A N ILE 865.A O no hydrogen 2.628 N/A LEU 874.A N GLN 822.A O no hydrogen 2.714 N/A