Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3zzu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N TYR 341.A OH no hydrogen 2.883 N/A ARG 2.A NE PHE 4.A O no hydrogen 2.584 N/A ARG 2.A NH1 ASP 276.A OD2 no hydrogen 3.169 N/A ARG 2.A NH2 SER 342.A O no hydrogen 3.335 N/A LYS 8.A N SER 5.A O no hydrogen 2.535 N/A THR 9.A N LEU 6.A O no hydrogen 2.927 N/A ARG 10.A N ARG 47.A O no hydrogen 2.624 N/A ARG 10.A NE VAL 245.A O no hydrogen 3.285 N/A ARG 10.A NH1 GLU 7.A O no hydrogen 3.275 N/A ARG 10.A NH1 THR 9.A O no hydrogen 3.480 N/A ARG 10.A NH2 ILE 246.A O no hydrogen 2.279 N/A ASN 11.A ND2 ASP 71.A OD2 no hydrogen 2.961 N/A ASN 11.A ND2 GLY 343.A O no hydrogen 3.360 N/A ILE 12.A N ASN 49.A O no hydrogen 2.894 N/A ILE 15.A N VAL 74.A O no hydrogen 3.198 N/A GLY 21.A N ILE 18.A O no hydrogen 3.313 N/A THR 25.A N GLY 21.A O no hydrogen 3.263 N/A THR 25.A N LYS 22.A O no hydrogen 2.830 N/A THR 25.A OG1 GLY 21.A O no hydrogen 2.481 N/A THR 26.A N LYS 22.A O no hydrogen 2.971 N/A THR 26.A OG1 LYS 22.A O no hydrogen 3.491 N/A GLU 27.A N THR 23.A O no hydrogen 3.226 N/A ARG 28.A NH1 ASN 235.A OD1 no hydrogen 2.918 N/A ARG 28.A NH2 GLU 27.A OE1 no hydrogen 2.713 N/A ILE 29.A N THR 25.A O no hydrogen 3.168 N/A LEU 30.A N THR 26.A O no hydrogen 2.821 N/A TYR 31.A N GLU 27.A O no hydrogen 2.590 N/A TYR 32.A N ARG 28.A O no hydrogen 2.978 N/A TYR 32.A OH ASN 235.A OD1 no hydrogen 2.431 N/A GLY 34.A N TYR 31.A O no hydrogen 2.658 N/A SER 36.A OG ALA 38.A O no hydrogen 3.117 N/A THR 39.A N ILE 50.A O no hydrogen 3.279 N/A THR 40.A N MET 329.A O no hydrogen 2.895 N/A THR 40.A OG1 ASN 49.A OD1 no hydrogen 3.190 N/A ALA 41.A N VAL 48.A O no hydrogen 2.811 N/A TRP 43.A N HIS 46.A O no hydrogen 3.022 N/A TRP 43.A NE1 ASP 243.A OD1 no hydrogen 2.994 N/A HIS 46.A ND1 GLU 44.A O no hydrogen 2.288 N/A ARG 47.A N LYS 8.A O no hydrogen 2.957 N/A ARG 47.A NH1 ALA 41.A O no hydrogen 2.865 N/A VAL 48.A N ALA 41.A O no hydrogen 2.796 N/A ASN 49.A N ARG 10.A O no hydrogen 2.928 N/A ASN 49.A ND2 ASN 11.A OD1 no hydrogen 3.391 N/A ASN 49.A ND2 ASP 344.A OD1 no hydrogen 3.440 N/A ILE 50.A N THR 39.A O no hydrogen 3.084 N/A ILE 51.A N ILE 12.A O no hydrogen 2.684 N/A ASP 52.A N ALA 37.A O no hydrogen 3.215 N/A THR 53.A OG1 ILE 14.A O no hydrogen 3.141 N/A ASP 58.A N HIS 56.A ND1 no hydrogen 2.812 N/A LEU 59.A N HIS 56.A O no hydrogen 3.348 N/A GLU 64.A N THR 60.A O no hydrogen 2.940 N/A ARG 65.A N VAL 61.A O no hydrogen 3.215 N/A ARG 65.A NE GLU 370.A OE1 no hydrogen 3.217 N/A ARG 65.A NE GLU 370.A OE2 no hydrogen 3.405 N/A ARG 65.A NH2 GLU 370.A OE2 no hydrogen 2.860 N/A SER 66.A N GLU 62.A O no hydrogen 2.632 N/A SER 66.A OG VAL 63.A O no hydrogen 3.067 N/A LEU 67.A N VAL 63.A O no hydrogen 2.876 N/A ARG 68.A N GLU 64.A O no hydrogen 3.115 N/A ARG 68.A NH1 LEU 369.A O no hydrogen 3.034 N/A ARG 68.A NH2 LEU 369.A O no hydrogen 2.695 N/A VAL 69.A N ARG 65.A O no hydrogen 2.821 N/A LEU 70.A N SER 66.A O no hydrogen 3.060 N/A ASP 71.A N ASN 11.A O no hydrogen 3.163 N/A GLY 72.A N ASN 11.A O no hydrogen 3.248 N/A ALA 73.A N PRO 100.A O no hydrogen 2.897 N/A VAL 74.A N GLY 13.A O no hydrogen 3.146 N/A THR 75.A N ILE 102.A O no hydrogen 3.004 N/A VAL 76.A N ILE 15.A O no hydrogen 2.919 N/A LEU 77.A N PHE 104.A O no hydrogen 3.122 N/A GLN 80.A N ASP 78.A OD1 no hydrogen 2.866 N/A SER 81.A OG ASP 78.A OD2 no hydrogen 3.299 N/A SER 81.A OG GLU 84.A OE2 no hydrogen 3.356 N/A GLN 86.A N GLN 86.A OE1 no hydrogen 2.309 N/A THR 89.A N PRO 85.A O no hydrogen 3.437 N/A THR 89.A OG1 GLN 86.A O no hydrogen 2.353 N/A VAL 90.A N GLN 86.A O no hydrogen 2.934 N/A TRP 91.A N THR 87.A O no hydrogen 2.843 N/A ARG 92.A N GLU 88.A O no hydrogen 2.968 N/A ARG 92.A NH2 GLU 88.A OE1 no hydrogen 2.990 N/A ARG 92.A NH2 ARG 125.A O no hydrogen 3.103 N/A ALA 94.A N VAL 90.A O no hydrogen 2.900 N/A THR 95.A N TRP 91.A O no hydrogen 3.105 N/A THR 95.A OG1 TRP 91.A O no hydrogen 3.427 N/A THR 96.A N ARG 92.A O no hydrogen 2.965 N/A THR 96.A OG1 ARG 92.A O no hydrogen 3.088 N/A TYR 97.A N GLN 93.A O no hydrogen 3.086 N/A GLY 98.A N THR 95.A O no hydrogen 2.931 N/A VAL 99.A N ALA 94.A O no hydrogen 2.851 N/A ARG 101.A NE VAL 99.A O no hydrogen 2.782 N/A ARG 101.A NH1 THR 95.A OG1 no hydrogen 3.203 N/A ARG 101.A NH2 THR 95.A OG1 no hydrogen 3.124 N/A ARG 101.A NH2 VAL 99.A O no hydrogen 2.712 N/A ILE 102.A N ALA 73.A O no hydrogen 3.190 N/A VAL 103.A N PRO 226.A O no hydrogen 2.716 N/A PHE 104.A N THR 75.A O no hydrogen 2.855 N/A VAL 105.A N LEU 228.A O no hydrogen 2.827 N/A ASN 106.A N LEU 77.A O no hydrogen 2.714 N/A ASN 106.A ND2 ALA 20.A O no hydrogen 3.410 N/A MET 108.A N GLY 230.A O no hydrogen 3.387 N/A ASP 109.A N THR 231.A OG1 no hydrogen 3.159 N/A LYS 110.A NZ ASP 78.A OD1 no hydrogen 2.740 N/A LYS 110.A NZ ASP 78.A OD2 no hydrogen 2.380 N/A LYS 110.A NZ GLN 80.A OE1 no hydrogen 3.394 N/A ASN 114.A N ALA 79.A O no hydrogen 2.835 N/A TYR 117.A N ASN 114.A OD1 no hydrogen 3.295 N/A SER 118.A N ASN 114.A O no hydrogen 3.189 N/A SER 118.A OG ASP 78.A O no hydrogen 3.257 N/A SER 118.A OG ALA 79.A O no hydrogen 3.035 N/A SER 118.A OG ASN 114.A O no hydrogen 3.166 N/A VAL 119.A N PHE 115.A O no hydrogen 3.131 N/A SER 120.A N TYR 117.A O no hydrogen 2.453 N/A SER 120.A OG TYR 117.A O no hydrogen 2.260 N/A THR 121.A N SER 118.A O no hydrogen 3.143 N/A THR 121.A OG1 SER 118.A O no hydrogen 2.216 N/A ASP 124.A N SER 120.A O no hydrogen 2.761 N/A ARG 125.A N THR 121.A O no hydrogen 2.577 N/A ALA 128.A N LEU 122.A O no hydrogen 2.810 N/A ASN 129.A ND2 ALA 188.A O no hydrogen 3.120 N/A ASN 129.A ND2 GLU 223.A O no hydrogen 3.186 N/A ILE 133.A N VAL 227.A O no hydrogen 3.161 N/A LEU 135.A N ILE 147.A O no hydrogen 3.038 N/A ILE 137.A N ALA 145.A O no hydrogen 3.232 N/A GLU 140.A N MET 108.A O no hydrogen 3.202 N/A GLU 142.A N ALA 139.A O no hydrogen 3.096 N/A PHE 143.A N GLU 140.A O no hydrogen 3.156 N/A GLU 144.A N ILE 137.A O no hydrogen 3.102 N/A ILE 146.A N PHE 155.A O no hydrogen 3.100 N/A ILE 147.A N LEU 135.A O no hydrogen 2.759 N/A ASP 148.A N LYS 153.A O no hydrogen 2.972 N/A LEU 149.A N ILE 133.A O no hydrogen 2.992 N/A MET 152.A N LEU 149.A O no hydrogen 2.840 N/A LYS 153.A N ASP 148.A O no hydrogen 3.035 N/A LYS 153.A NZ GLU 167.A OE2 no hydrogen 3.321 N/A CYS 154.A N ILE 168.A O no hydrogen 3.197 N/A CYS 154.A SG ILE 146.A O no hydrogen 3.900 N/A PHE 155.A N ILE 146.A O no hydrogen 3.192 N/A LYS 156.A N GLU 166.A O no hydrogen 2.778 N/A TYR 157.A N GLU 144.A O no hydrogen 3.201 N/A THR 158.A OG1 GLU 164.A O no hydrogen 3.498 N/A ASN 159.A ND2 THR 163.A O no hydrogen 2.297 N/A THR 163.A N ASN 159.A OD1 no hydrogen 2.913 N/A GLU 166.A N LYS 156.A O no hydrogen 3.230 N/A ILE 168.A N CYS 154.A O no hydrogen 2.881 N/A ASP 173.A N GLU 172.A OE1 no hydrogen 2.464 N/A HIS 174.A N PRO 171.A O no hydrogen 3.257 N/A LEU 175.A N GLU 172.A O no hydrogen 2.423 N/A ALA 178.A N HIS 174.A O no hydrogen 2.908 N/A GLU 179.A N LEU 175.A O no hydrogen 2.919 N/A GLU 180.A N ASP 176.A O no hydrogen 3.050 N/A GLU 180.A N GLU 180.A OE1 no hydrogen 2.831 N/A ALA 181.A N ARG 177.A O no hydrogen 3.252 N/A ARG 182.A N ALA 178.A O no hydrogen 2.970 N/A ARG 182.A NH1 VAL 150.A O no hydrogen 2.795 N/A ALA 183.A N GLU 179.A O no hydrogen 3.110 N/A SER 184.A N GLU 180.A O no hydrogen 2.774 N/A SER 184.A OG GLU 180.A O no hydrogen 2.059 N/A SER 184.A OG ALA 181.A O no hydrogen 3.060 N/A LEU 185.A N ALA 181.A O no hydrogen 2.689 N/A ILE 186.A N ARG 182.A O no hydrogen 2.857 N/A ILE 186.A N ALA 183.A O no hydrogen 3.273 N/A GLU 187.A N GLU 187.A OE1 no hydrogen 2.328 N/A GLU 191.A N GLU 187.A O no hydrogen 2.790 N/A THR 192.A N VAL 189.A O no hydrogen 3.118 N/A THR 192.A OG1 VAL 189.A O no hydrogen 2.110 N/A SER 193.A N VAL 189.A O no hydrogen 3.252 N/A GLU 195.A N GLU 195.A OE1 no hydrogen 2.672 N/A MET 197.A N ASP 194.A O no hydrogen 2.634 N/A LYS 199.A N GLU 195.A O no hydrogen 3.126 N/A TYR 200.A N LEU 196.A O no hydrogen 2.972 N/A TYR 200.A N MET 197.A O no hydrogen 3.180 N/A LEU 201.A N MET 197.A O no hydrogen 3.389 N/A GLY 202.A N GLU 198.A O no hydrogen 2.542 N/A ASP 203.A N TYR 200.A O no hydrogen 2.886 N/A SER 207.A N GLU 210.A OE2 no hydrogen 3.294 N/A SER 209.A OG GLU 213.A OE1 no hydrogen 3.501 N/A SER 209.A OG GLU 213.A OE2 no hydrogen 3.399 N/A GLU 210.A N SER 207.A OG no hydrogen 3.012 N/A LEU 211.A N SER 207.A O no hydrogen 3.173 N/A LYS 212.A N VAL 208.A O no hydrogen 3.008 N/A LYS 212.A NZ TYR 248.A OH no hydrogen 2.064 N/A GLU 213.A N SER 209.A O no hydrogen 2.875 N/A ALA 214.A N LEU 211.A O no hydrogen 2.793 N/A ILE 215.A N LEU 211.A O no hydrogen 3.159 N/A ARG 216.A N LYS 212.A O no hydrogen 3.208 N/A ARG 216.A NH1 ASP 247.A O no hydrogen 2.907 N/A ARG 216.A NH1 LEU 249.A O no hydrogen 3.062 N/A ARG 216.A NH2 LEU 249.A O no hydrogen 3.563 N/A ARG 216.A NH2 ASP 254.A OD2 no hydrogen 2.535 N/A GLN 217.A N ALA 214.A O no hydrogen 3.086 N/A ALA 218.A N ALA 214.A O no hydrogen 3.166 N/A THR 219.A N ILE 215.A O no hydrogen 2.900 N/A THR 219.A OG1 PHE 224.A O no hydrogen 3.433 N/A THR 220.A N ARG 216.A O no hydrogen 3.218 N/A THR 220.A OG1 ARG 216.A O no hydrogen 2.254 N/A THR 220.A OG1 GLN 217.A O no hydrogen 3.350 N/A ASN 221.A N GLN 217.A O no hydrogen 3.306 N/A ASN 221.A ND2 GLN 217.A O no hydrogen 2.518 N/A VAL 222.A N THR 219.A O no hydrogen 2.778 N/A GLU 223.A N ALA 218.A O no hydrogen 2.846 N/A TYR 225.A N ASN 129.A O no hydrogen 2.748 N/A LEU 228.A N VAL 103.A O no hydrogen 2.484 N/A CYS 229.A N GLN 134.A OE1 no hydrogen 3.452 N/A GLY 230.A N VAL 105.A O no hydrogen 3.204 N/A THR 231.A N LYS 236.A O no hydrogen 3.113 N/A THR 231.A OG1 ASP 109.A OD1 no hydrogen 3.017 N/A ALA 232.A N ASN 106.A OD1 no hydrogen 2.845 N/A LYS 234.A NZ ASP 109.A OD2 no hydrogen 3.398 N/A ASN 235.A N ALA 232.A O no hydrogen 3.052 N/A ASN 235.A ND2 ASP 160.A O no hydrogen 3.162 N/A LYS 236.A N THR 231.A O no hydrogen 2.967 N/A GLN 239.A N GLN 239.A OE1 no hydrogen 2.154 N/A MET 241.A N GLY 237.A O no hydrogen 3.142 N/A LEU 242.A N VAL 238.A O no hydrogen 2.888 N/A ASP 243.A N GLN 239.A O no hydrogen 2.740 N/A ALA 244.A N LEU 240.A O no hydrogen 2.926 N/A VAL 245.A N MET 241.A O no hydrogen 2.971 N/A ILE 246.A N LEU 242.A O no hydrogen 3.294 N/A ASP 247.A N ASP 243.A O no hydrogen 2.917 N/A TYR 248.A N ALA 244.A O no hydrogen 3.032 N/A LEU 253.A N SER 251.A OG no hydrogen 3.335 N/A ASP 254.A N SER 251.A O no hydrogen 2.923 N/A HIS 261.A N ILE 368.A O no hydrogen 3.178 N/A HIS 261.A ND1 ARG 262.A O no hydrogen 3.063 N/A ARG 262.A NE ASP 366.A O no hydrogen 3.467 N/A ARG 262.A NE ASP 366.A OD1 no hydrogen 2.976 N/A ARG 262.A NH2 ASN 365.A OD1 no hydrogen 3.494 N/A ALA 263.A N ASP 366.A OD2 no hydrogen 3.211 N/A GLU 267.A N ASN 265.A OD1 no hydrogen 2.613 N/A GLU 268.A N GLU 268.A OE1 no hydrogen 2.188 N/A VAL 270.A N GLY 260.A O no hydrogen 2.281 N/A ALA 278.A N ASP 275.A OD1 no hydrogen 2.001 N/A ALA 281.A N SER 303.A O no hydrogen 2.846 N/A ALA 282.A N LEU 360.A O no hydrogen 2.649 N/A LEU 283.A N ARG 300.A O no hydrogen 2.884 N/A ALA 284.A N ASP 358.A O no hydrogen 2.975 N/A MET 288.A N LEU 296.A O no hydrogen 3.012 N/A ASP 290.A N GLY 294.A O no hydrogen 2.815 N/A TYR 292.A N ASP 290.A OD2 no hydrogen 3.157 N/A VAL 293.A N ASP 290.A OD2 no hydrogen 3.376 N/A GLY 294.A N ASP 290.A O no hydrogen 3.190 N/A LYS 295.A NZ THR 297.A OG1 no hydrogen 2.722 N/A LYS 295.A NZ LEU 351.A O no hydrogen 2.500 N/A LEU 296.A N MET 288.A O no hydrogen 2.634 N/A THR 297.A N ALA 348.A O no hydrogen 3.109 N/A PHE 298.A N LYS 286.A O no hydrogen 2.817 N/A PHE 299.A N ALA 346.A O no hydrogen 2.992 N/A ARG 300.A N LEU 283.A O no hydrogen 2.951 N/A ARG 300.A NE VAL 301.A O no hydrogen 3.514 N/A ARG 300.A NH1 VAL 69.A O no hydrogen 2.901 N/A ARG 300.A NH1 ASP 71.A OD1 no hydrogen 3.442 N/A VAL 301.A N ASP 344.A O no hydrogen 3.183 N/A TYR 302.A N ALA 281.A O no hydrogen 3.080 N/A TYR 302.A OH ARG 68.A O no hydrogen 2.562 N/A SER 303.A N ALA 281.A O no hydrogen 3.401 N/A SER 303.A OG GLU 279.A O no hydrogen 3.192 N/A MET 306.A N VAL 340.A O no hydrogen 2.509 N/A SER 308.A N ASP 338.A O no hydrogen 2.593 N/A SER 308.A OG GLY 324.A O no hydrogen 2.718 N/A SER 310.A OG THR 307.A O no hydrogen 2.721 N/A VAL 312.A N GLU 321.A O no hydrogen 2.785 N/A LYS 313.A N CYS 361.A O no hydrogen 2.961 N/A LYS 313.A NZ GLU 363.A O no hydrogen 3.176 N/A LYS 313.A NZ ASN 365.A O no hydrogen 2.355 N/A ASN 314.A N LYS 319.A O no hydrogen 3.200 N/A SER 315.A N THR 359.A O no hydrogen 2.758 N/A SER 315.A OG ILE 367.A O no hydrogen 2.813 N/A LYS 317.A N ASN 314.A OD1 no hydrogen 3.161 N/A LYS 317.A NZ ASP 358.A OD1 no hydrogen 3.095 N/A LYS 317.A NZ ASP 358.A OD2 no hydrogen 2.338 N/A LYS 319.A N ASN 314.A O no hydrogen 3.248 N/A GLU 321.A N VAL 312.A O no hydrogen 2.745 N/A VAL 323.A N SER 310.A O no hydrogen 3.039 N/A LEU 327.A N ALA 347.A O no hydrogen 2.836 N/A GLN 328.A N GLN 335.A O no hydrogen 2.877 N/A GLN 335.A N GLN 328.A O no hydrogen 3.041 N/A ILE 337.A N LEU 326.A O no hydrogen 3.252 N/A VAL 340.A N MET 306.A O no hydrogen 2.602 N/A SER 342.A OG ASP 276.A OD1 no hydrogen 2.911 N/A SER 342.A OG GLY 304.A O no hydrogen 2.680 N/A GLY 343.A N VAL 301.A O no hydrogen 2.814 N/A ILE 345.A N ASP 344.A OD1 no hydrogen 2.730 N/A ALA 346.A N PHE 299.A O no hydrogen 3.215 N/A ALA 347.A N LEU 327.A O no hydrogen 2.975 N/A ALA 348.A N THR 297.A O no hydrogen 2.861 N/A VAL 349.A N ARG 325.A O no hydrogen 3.263 N/A GLY 350.A N LYS 295.A O no hydrogen 3.451 N/A GLY 355.A N ASP 358.A OD2 no hydrogen 2.747 N/A THR 356.A N GLU 400.A O no hydrogen 3.379 N/A THR 356.A OG1 GLU 401.A O no hydrogen 2.980 N/A GLY 357.A N ALA 284.A O no hydrogen 2.801 N/A ASP 358.A N GLY 355.A O no hydrogen 3.035 N/A THR 359.A N THR 316.A OG1 no hydrogen 2.981 N/A THR 359.A OG1 THR 316.A OG1 no hydrogen 3.378 N/A LEU 360.A N ALA 282.A O no hydrogen 2.882 N/A CYS 361.A N LYS 313.A O no hydrogen 3.023 N/A CYS 361.A SG SER 315.A OG no hydrogen 3.432 N/A CYS 361.A SG GLY 362.A O no hydrogen 3.644 N/A CYS 361.A SG ILE 367.A O no hydrogen 3.943 N/A GLY 362.A N PHE 280.A O no hydrogen 3.138 N/A GLU 363.A N GLU 363.A OE1 no hydrogen 2.122 N/A ASN 365.A N GLU 279.A OE2 no hydrogen 3.090 N/A ASN 365.A ND2 GLU 279.A OE1 no hydrogen 3.476 N/A ASP 366.A N ASN 365.A OD1 no hydrogen 2.106 N/A ILE 368.A N HIS 261.A O no hydrogen 2.842 N/A LEU 369.A N THR 359.A OG1 no hydrogen 3.080 N/A VAL 375.A N GLY 416.A O no hydrogen 3.169 N/A HIS 377.A N MET 443.A O no hydrogen 2.955 N/A LEU 378.A N ILE 414.A O no hydrogen 3.061 N/A VAL 380.A N VAL 412.A O no hydrogen 2.966 N/A GLU 381.A N ASN 438.A O no hydrogen 2.745 N/A LYS 385.A NZ LYS 385.A O no hydrogen 2.718 N/A LYS 385.A NZ ASP 389.A OD1 no hydrogen 2.054 N/A LYS 390.A NZ ASN 434.A O no hydrogen 3.461 N/A MET 391.A N ASP 387.A O no hydrogen 3.403 N/A THR 392.A OG1 GLN 388.A O no hydrogen 3.511 N/A THR 392.A OG1 ASP 389.A O no hydrogen 2.818 N/A GLN 393.A N ASP 389.A O no hydrogen 3.100 N/A ALA 394.A N LYS 390.A O no hydrogen 2.883 N/A LEU 395.A N MET 391.A O no hydrogen 2.943 N/A VAL 396.A N GLN 393.A O no hydrogen 3.113 N/A LYS 397.A NZ THR 289.A OG1 no hydrogen 2.297 N/A LEU 398.A N ALA 394.A O no hydrogen 2.800 N/A GLN 399.A N LEU 395.A O no hydrogen 3.476 N/A GLU 400.A N LYS 397.A O no hydrogen 2.751 N/A ASP 402.A N LEU 398.A O no hydrogen 2.758 N/A THR 404.A N ASP 402.A OD1 no hydrogen 2.591 N/A THR 404.A OG1 ASP 402.A OD1 no hydrogen 2.161 N/A THR 404.A OG1 ASP 402.A OD2 no hydrogen 2.872 N/A THR 404.A OG1 HIS 421.A NE2 no hydrogen 2.902 N/A HIS 406.A N GLY 415.A O no hydrogen 3.174 N/A HIS 408.A N ILE 413.A O no hydrogen 2.976 N/A ILE 413.A N HIS 408.A O no hydrogen 2.655 N/A ILE 414.A N LEU 378.A O no hydrogen 3.233 N/A GLY 416.A N ILE 376.A O no hydrogen 2.845 N/A HIS 421.A NE2 ASP 402.A OD2 no hydrogen 2.787 N/A HIS 421.A NE2 THR 404.A OG1 no hydrogen 2.902 N/A LEU 422.A N GLY 418.A O no hydrogen 2.924 N/A ASP 423.A N GLU 419.A O no hydrogen 3.042 N/A ILE 424.A N LEU 420.A O no hydrogen 3.274 N/A LEU 425.A N HIS 421.A O no hydrogen 3.305 N/A VAL 426.A N LEU 422.A O no hydrogen 2.864 N/A ASP 427.A N ASP 423.A O no hydrogen 2.392 N/A ARG 428.A N ILE 424.A O no hydrogen 2.690 N/A MET 429.A N LEU 425.A O no hydrogen 3.292 N/A MET 429.A N VAL 426.A O no hydrogen 2.983 N/A LYS 430.A N VAL 426.A O no hydrogen 2.857 N/A LYS 430.A NZ CYS 437.A O no hydrogen 2.778 N/A LYS 431.A N ASP 427.A O no hydrogen 3.043 N/A LYS 431.A NZ ASP 427.A OD2 no hydrogen 2.324 N/A PHE 433.A N ARG 428.A O no hydrogen 3.108 N/A ASN 434.A N LYS 431.A O no hydrogen 2.800 N/A VAL 435.A N MET 429.A O no hydrogen 3.272 N/A ASN 438.A N GLU 381.A O no hydrogen 2.666 N/A ASN 438.A ND2 GLU 381.A OE1 no hydrogen 3.213 N/A GLY 440.A N SER 379.A O no hydrogen 3.075 N/A MET 443.A N HIS 377.A O no hydrogen 3.013 N/A SER 445.A N VAL 375.A O no hydrogen 3.191 N/A SER 445.A OG PRO 374.A O no hydrogen 3.490 N/A ARG 447.A N LEU 558.A O no hydrogen 2.891 N/A ARG 447.A NH1 TYR 446.A O no hydrogen 2.536 N/A GLU 448.A N PRO 515.A O no hydrogen 2.933 N/A THR 449.A N VAL 556.A O no hydrogen 2.981 N/A THR 449.A OG1 ILE 517.A O no hydrogen 2.639 N/A LYS 451.A N ASP 554.A O no hydrogen 3.082 N/A LYS 451.A NZ GLU 634.A OE1 no hydrogen 3.472 N/A SER 452.A N CYS 553.A O no hydrogen 3.117 N/A SER 452.A OG CYS 553.A O no hydrogen 3.127 N/A SER 452.A OG ASP 554.A OD2 no hydrogen 2.844 N/A ALA 454.A N PHE 470.A O no hydrogen 2.889 N/A VAL 456.A N ILE 468.A O no hydrogen 3.212 N/A LYS 459.A NZ GLN 457.A OE1 no hydrogen 2.798 N/A PHE 460.A N GLY 464.A O no hydrogen 2.783 N/A SER 461.A OG SER 461.A O no hydrogen 2.491 N/A TYR 463.A OH SER 527.A O no hydrogen 3.116 N/A GLY 464.A N PHE 460.A O no hydrogen 2.800 N/A VAL 466.A N GLY 458.A O no hydrogen 3.175 N/A HIS 467.A N ASP 525.A O no hydrogen 2.828 N/A ILE 468.A N VAL 456.A O no hydrogen 3.070 N/A GLU 469.A N LYS 522.A O no hydrogen 2.737 N/A PHE 470.A N ALA 454.A O no hydrogen 2.906 N/A THR 471.A N LYS 520.A O no hydrogen 2.962 N/A THR 471.A OG1 PRO 472.A O no hydrogen 3.418 N/A ASN 473.A N ASP 518.A O no hydrogen 2.803 N/A ASN 473.A ND2 GLY 478.A O no hydrogen 3.399 N/A GLU 474.A N ASN 473.A OD1 no hydrogen 2.268 N/A GLY 476.A N ASP 518.A OD1 no hydrogen 3.234 N/A GLY 476.A N ASP 518.A OD2 no hydrogen 3.511 N/A ALA 477.A N GLU 474.A O no hydrogen 2.700 N/A GLU 482.A N ALA 521.A O no hydrogen 2.862 N/A ALA 484.A N LEU 523.A O no hydrogen 3.072 N/A ILE 485.A N ASN 483.A OD1 no hydrogen 3.040 N/A TYR 494.A N PRO 491.A O no hydrogen 3.162 N/A TYR 494.A OH SER 533.A O no hydrogen 2.937 N/A ILE 495.A N ARG 492.A O no hydrogen 2.889 N/A VAL 498.A N ILE 495.A O no hydrogen 3.040 N/A ALA 500.A N PRO 496.A O no hydrogen 3.151 N/A GLY 501.A N SER 497.A O no hydrogen 3.312 N/A LEU 502.A N VAL 498.A O no hydrogen 2.945 N/A LYS 503.A N GLU 499.A O no hydrogen 2.993 N/A ASP 504.A N ALA 500.A O no hydrogen 2.867 N/A ALA 505.A N GLY 501.A O no hydrogen 3.178 N/A MET 506.A N LEU 502.A O no hydrogen 2.821 N/A MET 506.A N LYS 503.A O no hydrogen 2.987 N/A GLU 507.A N LYS 503.A O no hydrogen 2.933 N/A VAL 510.A N GLU 448.A OE1 no hydrogen 2.764 N/A LEU 511.A N GLU 448.A OE2 no hydrogen 2.979 N/A ALA 512.A N GLU 448.A OE2 no hydrogen 2.712 N/A GLY 513.A N GLU 448.A OE2 no hydrogen 3.200 N/A LEU 516.A N MET 506.A O no hydrogen 2.957 N/A ILE 517.A N GLU 448.A O no hydrogen 2.926 N/A LYS 520.A N THR 471.A O no hydrogen 2.914 N/A LYS 522.A N GLU 469.A O no hydrogen 3.105 N/A LEU 523.A N GLU 482.A O no hydrogen 2.979 N/A TYR 524.A N HIS 467.A O no hydrogen 3.120 N/A SER 527.A OG TYR 463.A OH no hydrogen 2.097 N/A SER 527.A OG ASP 465.A OD2 no hydrogen 2.656 N/A HIS 529.A N SER 533.A OG no hydrogen 3.163 N/A SER 533.A OG TYR 463.A O no hydrogen 2.308 N/A PHE 538.A N SER 534.A O no hydrogen 2.999 N/A LYS 539.A N MET 536.A O no hydrogen 2.497 N/A ILE 540.A N MET 536.A O no hydrogen 2.902 N/A ALA 541.A N ALA 537.A O no hydrogen 2.918 N/A SER 543.A N LYS 539.A O no hydrogen 2.887 N/A LEU 544.A N ILE 540.A O no hydrogen 2.868 N/A ALA 545.A N ALA 541.A O no hydrogen 2.678 N/A LEU 546.A N ALA 542.A O no hydrogen 3.073 N/A LYS 547.A N SER 543.A O no hydrogen 3.105 N/A GLU 548.A N LEU 544.A O no hydrogen 3.222 N/A ALA 549.A N ALA 545.A O no hydrogen 2.806 N/A ALA 550.A N LEU 546.A O no hydrogen 2.789 N/A LYS 551.A N GLU 548.A O no hydrogen 2.990 N/A LYS 552.A N ALA 549.A O no hydrogen 2.978 N/A CYS 553.A N ALA 549.A O no hydrogen 2.857 N/A CYS 553.A SG ALA 549.A O no hydrogen 3.037 N/A VAL 556.A N THR 449.A O no hydrogen 2.889 N/A LEU 558.A N ARG 447.A O no hydrogen 2.793 N/A GLU 559.A N ALA 633.A O no hydrogen 2.841 N/A MET 561.A N HIS 631.A O no hydrogen 2.832 N/A MET 562.A N VAL 603.A O no hydrogen 2.803 N/A LYS 563.A N TYR 628.A O no hydrogen 2.631 N/A LYS 563.A NZ TYR 602.A OH no hydrogen 3.085 N/A VAL 564.A N ALA 601.A O no hydrogen 2.862 N/A THR 565.A N THR 626.A O no hydrogen 2.932 N/A THR 565.A OG1 ASN 600.A OD1 no hydrogen 3.221 N/A ILE 566.A N VAL 599.A O no hydrogen 2.827 N/A GLU 567.A N THR 624.A O no hydrogen 2.980 N/A MET 568.A N GLN 597.A O no hydrogen 3.333 N/A GLU 571.A N GLU 571.A OE1 no hydrogen 2.478 N/A TYR 572.A N PRO 569.A O no hydrogen 3.212 N/A ILE 576.A N TYR 572.A O no hydrogen 3.419 N/A GLY 578.A N GLY 574.A O no hydrogen 3.317 N/A ASP 579.A N ASP 575.A O no hydrogen 2.926 N/A VAL 580.A N ILE 576.A O no hydrogen 2.770 N/A THR 581.A N MET 577.A O no hydrogen 2.501 N/A THR 581.A OG1 MET 577.A O no hydrogen 2.967 N/A SER 582.A N ASP 579.A O no hydrogen 2.914 N/A SER 582.A OG GLY 578.A O no hydrogen 3.166 N/A SER 582.A OG ASP 579.A O no hydrogen 2.087 N/A ARG 583.A N VAL 580.A O no hydrogen 2.615 N/A ARG 583.A NH1 ASP 579.A OD1 no hydrogen 2.037 N/A ARG 584.A NE GLU 607.A OE2 no hydrogen 2.988 N/A ARG 584.A NH1 GLU 559.A OE2 no hydrogen 2.657 N/A ARG 584.A NH2 GLU 559.A OE1 no hydrogen 2.889 N/A ARG 584.A NH2 GLU 559.A OE2 no hydrogen 3.017 N/A GLY 585.A N VAL 580.A O no hydrogen 3.020 N/A ARG 586.A N TYR 602.A O no hydrogen 2.974 N/A GLU 591.A N VAL 598.A O no hydrogen 3.292 N/A ARG 593.A N ALA 596.A O no hydrogen 3.105 N/A ALA 596.A N ARG 593.A O no hydrogen 3.247 N/A GLN 597.A N MET 568.A O no hydrogen 3.490 N/A VAL 598.A N GLU 591.A O no hydrogen 2.932 N/A VAL 599.A N ILE 566.A O no hydrogen 3.091 N/A ALA 601.A N VAL 564.A O no hydrogen 2.836 N/A TYR 602.A N ARG 586.A O no hydrogen 2.961 N/A VAL 603.A N MET 562.A O no hydrogen 3.163 N/A LEU 605.A N PRO 560.A O no hydrogen 3.131 N/A SER 606.A OG GLU 559.A OE1 no hydrogen 2.564 N/A GLU 607.A N PRO 604.A O no hydrogen 2.899 N/A MET 608.A N LEU 605.A O no hydrogen 2.890 N/A SER 614.A N TYR 611.A O no hydrogen 2.799 N/A LEU 615.A N TYR 611.A O no hydrogen 2.720 N/A LEU 615.A N ALA 612.A O no hydrogen 3.159 N/A ARG 616.A N ALA 612.A O no hydrogen 3.233 N/A SER 617.A OG THR 613.A O no hydrogen 3.037 N/A THR 619.A N LEU 615.A O no hydrogen 3.044 N/A THR 619.A OG1 LEU 615.A O no hydrogen 2.948 N/A GLN 620.A N ARG 616.A O no hydrogen 2.523 N/A ARG 622.A N THR 619.A O no hydrogen 3.420 N/A GLY 623.A N THR 619.A OG1 no hydrogen 2.793 N/A THR 624.A N GLU 567.A O no hydrogen 3.210 N/A THR 626.A N THR 565.A O no hydrogen 2.917 N/A TYR 628.A N LYS 563.A O no hydrogen 3.185 N/A ASP 630.A N MET 561.A O no hydrogen 3.001 N/A HIS 631.A ND1 ASP 630.A OD2 no hydrogen 2.455 N/A TYR 632.A OH SER 445.A O no hydrogen 3.253 N/A ALA 633.A N GLU 559.A O no hydrogen 2.862 N/A VAL 635.A N ILE 557.A O no hydrogen 2.939 N/A ALA 640.A N PRO 636.A O no hydrogen 2.954 N/A GLU 641.A N LYS 637.A O no hydrogen 3.071 N/A ASP 642.A N ILE 639.A O no hydrogen 3.001 N/A ILE 643.A N ILE 639.A O no hydrogen 3.422 N/A ILE 644.A N ALA 640.A O no hydrogen 3.220 N/A LYS 645.A N GLU 641.A O no hydrogen 3.250 N/A LYS 646.A N ASP 642.A O no hydrogen 2.799 N/A ASN 647.A N ILE 643.A O no hydrogen 3.069 N/A LYS 648.A N ILE 644.A O no hydrogen 2.859 N/A GLY 649.A N LYS 645.A O no hydrogen 3.173 N/A GLY 649.A N LYS 646.A O no hydrogen 2.740 N/A