Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5w5v_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG THR 4.A O no hydrogen 2.742 N/A SER 3.A OG HIS 7.A O no hydrogen 3.104 N/A THR 4.A N HIS 7.A O no hydrogen 2.673 N/A THR 4.A OG1 GLU 62.A OE1 no hydrogen 2.257 N/A ASN 6.A N THR 4.A OG1 no hydrogen 3.264 N/A ASN 6.A ND2 GLU 62.A OE2 no hydrogen 2.436 N/A HIS 7.A N THR 4.A OG1 no hydrogen 3.283 N/A HIS 7.A ND1 GLU 62.A OE1 no hydrogen 2.960 N/A LEU 8.A N ARG 23.A O no hydrogen 3.333 N/A TRP 9.A N GLN 2.A O no hydrogen 3.386 N/A ILE 14.A N SER 12.A O no hydrogen 2.835 N/A LEU 15.A N VAL 19.A O no hydrogen 2.304 N/A ASN 18.A N VAL 35.A O no hydrogen 2.841 N/A PHE 20.A N ILE 33.A O no hydrogen 2.892 N/A ARG 21.A N ASP 13.A O no hydrogen 2.776 N/A GLY 22.A N PHE 31.A O no hydrogen 3.278 N/A ARG 23.A N LEU 8.A O no hydrogen 3.192 N/A ARG 23.A NH2 GLY 28.A O no hydrogen 3.187 N/A HIS 24.A N ASP 29.A O no hydrogen 3.031 N/A LYS 25.A N ASN 6.A O no hydrogen 2.797 N/A LYS 25.A NZ SER 3.A OG no hydrogen 2.786 N/A LYS 25.A NZ THR 4.A O no hydrogen 2.456 N/A LYS 25.A NZ SER 5.A O no hydrogen 3.518 N/A LYS 26.A N HIS 24.A ND1 no hydrogen 3.098 N/A THR 27.A N HIS 24.A ND1 no hydrogen 3.306 N/A THR 27.A OG1 ASP 29.A OD2 no hydrogen 2.954 N/A GLY 28.A N HIS 24.A O no hydrogen 2.820 N/A ASP 29.A N THR 27.A OG1 no hydrogen 3.159 N/A PHE 31.A N GLY 22.A O no hydrogen 3.322 N/A ALA 32.A N MET 74.A O no hydrogen 2.551 N/A ILE 33.A N PHE 20.A O no hydrogen 3.040 N/A LYS 34.A N LEU 72.A O no hydrogen 3.055 N/A VAL 35.A N ASN 18.A O no hydrogen 2.715 N/A ARG 42.A N ASP 38.A O no hydrogen 3.319 N/A PHE 44.A N GLN 40.A O no hydrogen 2.802 N/A GLU 45.A N MET 41.A O no hydrogen 3.007 N/A VAL 46.A N ARG 42.A O no hydrogen 3.232 N/A LEU 47.A N GLU 43.A O no hydrogen 3.158 N/A LYS 48.A N PHE 44.A O no hydrogen 2.791 N/A LYS 49.A N GLU 45.A O no hydrogen 3.303 N/A LEU 50.A N LEU 47.A O no hydrogen 3.264 N/A ASN 54.A N HIS 52.A ND1 no hydrogen 2.964 N/A ILE 55.A N HIS 52.A O no hydrogen 3.174 N/A VAL 56.A N LEU 143.A O no hydrogen 2.936 N/A LYS 57.A N GLU 75.A OE1 no hydrogen 2.735 N/A PHE 59.A N ILE 73.A O no hydrogen 3.004 N/A GLU 62.A N VAL 71.A O no hydrogen 3.027 N/A GLU 64.A N HIS 69.A O no hydrogen 3.464 N/A THR 65.A N SER 3.A O no hydrogen 2.812 N/A THR 65.A OG1 SER 3.A O no hydrogen 3.298 N/A THR 65.A OG1 GLU 64.A OE2 no hydrogen 3.457 N/A THR 66.A N GLU 64.A OE2 no hydrogen 2.815 N/A THR 67.A N GLU 64.A OE1 no hydrogen 2.236 N/A VAL 71.A N GLU 62.A O no hydrogen 2.874 N/A LEU 72.A N LYS 34.A O no hydrogen 3.438 N/A ILE 73.A N ALA 60.A O no hydrogen 2.831 N/A MET 74.A N ALA 32.A O no hydrogen 2.526 N/A GLU 75.A N LYS 57.A O no hydrogen 2.756 N/A CYS 77.A SG GLU 75.A O no hydrogen 4.045 N/A GLY 80.A N CYS 77.A O no hydrogen 3.212 N/A LEU 82.A N ILE 129.A O no hydrogen 2.690 N/A TYR 83.A N PRO 126.A O no hydrogen 3.162 N/A VAL 85.A N SER 81.A O no hydrogen 3.033 N/A LEU 86.A N LEU 82.A O no hydrogen 2.724 N/A GLU 87.A N THR 84.A O no hydrogen 2.955 N/A GLU 88.A N VAL 85.A O no hydrogen 3.009 N/A ASN 91.A N GLU 88.A O no hydrogen 3.305 N/A ASN 91.A ND2 VAL 85.A O no hydrogen 3.550 N/A ALA 92.A N PRO 89.A O no hydrogen 3.303 N/A GLY 94.A N ASN 91.A O no hydrogen 3.184 N/A LEU 95.A N ALA 173.A O no hydrogen 3.019 N/A PHE 100.A N PRO 96.A O no hydrogen 2.789 N/A LEU 101.A N GLU 97.A O no hydrogen 3.301 N/A VAL 103.A N GLU 99.A O no hydrogen 3.210 N/A LEU 104.A N PHE 100.A O no hydrogen 3.157 N/A ARG 105.A N LEU 101.A O no hydrogen 3.032 N/A ARG 105.A NE ASP 106.A OD1 no hydrogen 2.696 N/A ARG 105.A NH1 ASP 106.A OD1 no hydrogen 3.288 N/A ASP 106.A N ILE 102.A O no hydrogen 3.043 N/A VAL 107.A N VAL 103.A O no hydrogen 2.979 N/A VAL 108.A N LEU 104.A O no hydrogen 3.004 N/A GLY 109.A N ARG 105.A O no hydrogen 3.024 N/A GLY 110.A N ASP 106.A O no hydrogen 3.052 N/A MET 111.A N VAL 107.A O no hydrogen 3.020 N/A ASN 112.A N VAL 108.A O no hydrogen 3.188 N/A HIS 113.A N GLY 109.A O no hydrogen 3.228 N/A LEU 114.A N GLY 110.A O no hydrogen 2.824 N/A ARG 115.A N MET 111.A O no hydrogen 2.788 N/A GLU 116.A N ASN 112.A O no hydrogen 2.701 N/A ASN 117.A N LEU 114.A O no hydrogen 2.777 N/A ASN 117.A ND2 HIS 113.A O no hydrogen 2.227 N/A GLY 118.A N ARG 115.A O no hydrogen 2.893 N/A ILE 119.A N LEU 114.A O no hydrogen 3.148 N/A ASN 128.A N LYS 125.A O no hydrogen 2.652 N/A ILE 129.A N PRO 126.A O no hydrogen 3.332 N/A MET 130.A N LYS 142.A O no hydrogen 3.280 N/A ARG 131.A N GLY 80.A O no hydrogen 2.696 N/A ARG 131.A NE SER 139.A OG no hydrogen 2.629 N/A ARG 131.A NH2 SER 139.A OG no hydrogen 3.087 N/A VAL 132.A N VAL 140.A O no hydrogen 2.909 N/A GLY 134.A N GLN 138.A O no hydrogen 2.892 N/A GLY 137.A N GLY 134.A O no hydrogen 3.013 N/A GLN 138.A N ASP 136.A OD1 no hydrogen 3.201 N/A GLN 138.A NE2 ASP 136.A OD2 no hydrogen 2.886 N/A SER 139.A OG GLU 99.A OE2 no hydrogen 2.792 N/A VAL 140.A N VAL 132.A O no hydrogen 2.739 N/A TYR 141.A N ASP 106.A OD2 no hydrogen 2.693 N/A TYR 141.A OH GLU 99.A OE2 no hydrogen 2.953 N/A LYS 142.A N MET 130.A O no hydrogen 3.024 N/A LYS 142.A NZ GLU 75.A OE1 no hydrogen 3.254 N/A LYS 142.A NZ GLU 75.A OE2 no hydrogen 2.495 N/A LEU 143.A N ASN 54.A O no hydrogen 2.598 N/A LEU 151.A N GLU 148.A O no hydrogen 3.162 N/A ASP 154.A N HIS 152.A ND1 no hydrogen 2.844 N/A TYR 156.A N HIS 152.A O no hydrogen 2.653 N/A THR 160.A OG1 GLN 246.A OE1 no hydrogen 3.450 N/A ASP 162.A N ALA 159.A O no hydrogen 2.790 N/A LEU 163.A N ALA 159.A O no hydrogen 3.110 N/A TRP 164.A N THR 160.A O no hydrogen 3.179 N/A SER 165.A OG ASP 162.A O no hydrogen 2.969 N/A ILE 166.A N ASP 162.A O no hydrogen 3.163 N/A GLY 167.A N LEU 163.A O no hydrogen 2.692 N/A VAL 168.A N TRP 164.A O no hydrogen 2.911 N/A THR 169.A N SER 165.A O no hydrogen 2.937 N/A THR 169.A OG1 SER 165.A O no hydrogen 2.621 N/A PHE 170.A N ILE 166.A O no hydrogen 2.946 N/A TYR 171.A N GLY 167.A O no hydrogen 2.983 N/A HIS 172.A N VAL 168.A O no hydrogen 2.824 N/A ALA 173.A N THR 169.A O no hydrogen 2.718 N/A ALA 174.A N PHE 170.A O no hydrogen 2.721 N/A THR 175.A N TYR 171.A O no hydrogen 2.886 N/A THR 175.A OG1 TYR 171.A O no hydrogen 2.883 N/A GLY 176.A N HIS 172.A O no hydrogen 2.676 N/A SER 177.A N THR 175.A OG1 no hydrogen 3.200 N/A ARG 181.A N GLY 207.A O no hydrogen 2.814 N/A ARG 181.A NE LEU 178.A O no hydrogen 3.353 N/A PHE 183.A N GLN 209.A OE1 no hydrogen 2.475 N/A ASN 189.A N GLY 185.A O no hydrogen 2.847 N/A ASN 189.A ND2 PHE 183.A O no hydrogen 3.042 N/A GLU 191.A N GLU 191.A OE1 no hydrogen 2.484 N/A MET 193.A N ASN 189.A O no hydrogen 3.308 N/A TYR 194.A N LYS 190.A O no hydrogen 3.411 N/A LYS 195.A N GLU 191.A O no hydrogen 3.485 N/A ILE 196.A N VAL 192.A O no hydrogen 3.111 N/A ILE 197.A N MET 193.A O no hydrogen 2.983 N/A THR 198.A N TYR 194.A O no hydrogen 3.025 N/A THR 198.A OG1 TYR 194.A O no hydrogen 3.255 N/A THR 198.A OG1 LYS 195.A O no hydrogen 3.489 N/A GLY 199.A N LYS 195.A O no hydrogen 2.847 N/A LYS 200.A NZ LEU 244.A O no hydrogen 2.308 N/A ALA 204.A N PRO 201.A O no hydrogen 3.243 N/A ILE 205.A N SER 219.A O no hydrogen 2.830 N/A GLY 207.A N PRO 179.A O no hydrogen 2.766 N/A GLN 209.A N ARG 181.A O no hydrogen 2.864 N/A GLN 209.A NE2 GLY 214.A O no hydrogen 3.343 N/A GLY 214.A N ALA 211.A O no hydrogen 3.076 N/A ASP 217.A N VAL 208.A O no hydrogen 3.108 N/A SER 219.A OG ASP 221.A O no hydrogen 2.987 N/A ASP 221.A N SER 219.A OG no hydrogen 3.154 N/A CYS 226.A N PRO 223.A O no hydrogen 3.095 N/A CYS 226.A SG ALA 174.A O no hydrogen 3.319 N/A SER 227.A OG LEU 95.A O no hydrogen 2.949 N/A SER 229.A N GLU 97.A OE2 no hydrogen 2.910 N/A SER 229.A OG GLU 97.A OE1 no hydrogen 2.630 N/A LEU 232.A N SER 229.A OG no hydrogen 3.213 N/A GLN 233.A N SER 229.A O no hydrogen 2.725 N/A GLN 233.A NE2 LEU 228.A O no hydrogen 2.862 N/A VAL 234.A N ARG 230.A O no hydrogen 2.798 N/A LEU 235.A N LEU 232.A O no hydrogen 2.976 N/A LEU 236.A N LEU 232.A O no hydrogen 2.988 N/A THR 237.A N GLN 233.A O no hydrogen 3.132 N/A THR 237.A OG1 GLN 233.A O no hydrogen 3.180 N/A LEU 240.A N LEU 236.A O no hydrogen 3.252 N/A ALA 241.A N THR 237.A O no hydrogen 3.241 N/A ASN 242.A N PRO 238.A O no hydrogen 3.191 N/A ASN 242.A N VAL 239.A O no hydrogen 3.274 N/A ASN 242.A ND2 PRO 238.A O no hydrogen 2.705 N/A ILE 243.A N LEU 240.A O no hydrogen 3.208 N/A LEU 244.A N LEU 240.A O no hydrogen 3.008 N/A LYS 248.A N ASP 245.A O no hydrogen 3.080 N/A CYS 249.A N GLN 246.A O no hydrogen 3.392 N/A CYS 249.A SG ILE 243.A O no hydrogen 3.142 N/A PHE 255.A N GLY 251.A O no hydrogen 2.886 N/A PHE 256.A N PHE 252.A O no hydrogen 2.566 N/A ALA 257.A N ASP 253.A O no hydrogen 3.100 N/A GLU 258.A N GLN 254.A O no hydrogen 2.874 N/A THR 259.A N PHE 255.A O no hydrogen 2.962 N/A THR 259.A OG1 PHE 255.A O no hydrogen 2.724 N/A THR 259.A OG1 PHE 256.A O no hydrogen 3.054 N/A SER 260.A N PHE 256.A O no hydrogen 2.945 N/A SER 260.A OG PHE 256.A O no hydrogen 2.645 N/A ASP 261.A N ALA 257.A O no hydrogen 2.870 N/A ILE 262.A N GLU 258.A O no hydrogen 3.343 N/A ILE 262.A N THR 259.A O no hydrogen 3.118 N/A LEU 263.A N THR 259.A O no hydrogen 2.977 N/A HIS 264.A N SER 260.A O no hydrogen 2.888 N/A ARG 265.A N ILE 262.A O no hydrogen 3.123 N/A ARG 265.A NE ASP 261.A OD2 no hydrogen 3.387 N/A ARG 265.A NH1 TYR 282.A O no hydrogen 2.341 N/A MET 266.A N ILE 283.A O no hydrogen 2.571 N/A ILE 268.A N ILE 281.A O no hydrogen 2.999 N/A HIS 269.A N THR 330.A OG1 no hydrogen 3.035 N/A HIS 269.A ND1 THR 330.A OG1 no hydrogen 3.126 N/A VAL 270.A N HIS 279.A O no hydrogen 2.612 N/A PHE 271.A N ILE 336.A O no hydrogen 2.981 N/A SER 272.A N THR 277.A O no hydrogen 2.638 N/A SER 272.A OG GLN 275.A OE1 no hydrogen 2.517 N/A LEU 273.A N VAL 338.A O no hydrogen 3.091 N/A GLN 275.A NE2 THR 300.A O no hydrogen 3.005 N/A THR 277.A N SER 272.A O no hydrogen 3.243 N/A THR 277.A OG1 HIS 279.A NE2 no hydrogen 2.590 N/A ALA 278.A N TYR 392.A OH no hydrogen 3.266 N/A HIS 279.A N VAL 270.A O no hydrogen 2.406 N/A HIS 279.A ND1 GLN 299.A OE1 no hydrogen 2.984 N/A HIS 279.A NE2 THR 277.A OG1 no hydrogen 2.590 N/A LYS 280.A NZ GLU 97.A OE2 no hydrogen 3.336 N/A LYS 280.A NZ GLU 332.A OE1 no hydrogen 2.869 N/A ILE 281.A N ILE 268.A O no hydrogen 2.790 N/A TYR 282.A OH GLU 97.A OE1 no hydrogen 2.191 N/A ILE 283.A N MET 266.A O no hydrogen 2.907 N/A HIS 284.A NE2 ASP 261.A OD1 no hydrogen 2.355 N/A SER 285.A OG GLN 325.A OE1 no hydrogen 3.380 N/A ASN 287.A N HIS 284.A O no hydrogen 3.033 N/A THR 290.A N PRO 320.A O no hydrogen 2.673 N/A THR 290.A OG1 PRO 320.A O no hydrogen 2.929 N/A PHE 292.A N THR 288.A O no hydrogen 2.998 N/A HIS 293.A N ALA 289.A O no hydrogen 2.871 N/A HIS 293.A ND1 GLN 307.A OE1 no hydrogen 2.241 N/A GLU 294.A N THR 290.A O no hydrogen 3.401 N/A LEU 295.A N ILE 291.A O no hydrogen 3.127 N/A VAL 296.A N PHE 292.A O no hydrogen 2.990 N/A TYR 297.A N HIS 293.A O no hydrogen 2.839 N/A LYS 298.A N GLU 294.A O no hydrogen 3.007 N/A GLN 299.A N VAL 296.A O no hydrogen 3.008 N/A GLN 299.A NE2 LYS 280.A O no hydrogen 3.043 N/A THR 300.A N VAL 296.A O no hydrogen 2.741 N/A THR 300.A N TYR 297.A O no hydrogen 3.199 N/A THR 300.A OG1 VAL 296.A O no hydrogen 2.491 N/A LYS 301.A N TYR 297.A O no hydrogen 2.528 N/A ILE 302.A N THR 300.A OG1 no hydrogen 3.328 N/A ASN 306.A N ILE 303.A O no hydrogen 2.935 N/A GLN 307.A N SER 304.A O no hydrogen 2.868 N/A GLN 307.A NE2 HIS 293.A O no hydrogen 3.117 N/A GLN 307.A NE2 ILE 302.A O no hydrogen 2.663 N/A GLU 308.A N VAL 339.A O no hydrogen 2.636 N/A ILE 310.A N PHE 337.A O no hydrogen 3.015 N/A TYR 311.A N ARG 314.A O no hydrogen 2.654 N/A TYR 311.A OH LYS 329.A O no hydrogen 3.377 N/A ARG 314.A N TYR 311.A O no hydrogen 3.010 N/A ARG 315.A NH1 GLU 308.A OE1 no hydrogen 2.540 N/A ARG 315.A NH2 ASP 410.A OD1 no hydrogen 2.841 N/A LEU 316.A N LEU 309.A O no hydrogen 2.822 N/A GLU 319.A N GLU 319.A OE1 no hydrogen 2.364 N/A ARG 322.A N GLU 319.A O no hydrogen 2.936 N/A ARG 322.A NH2 GLU 319.A OE1 no hydrogen 2.740 N/A ALA 324.A N ASN 287.A O no hydrogen 2.736 N/A GLN 325.A N SER 285.A O no hydrogen 3.180 N/A HIS 326.A N LEU 323.A O no hydrogen 3.150 N/A PHE 327.A N ALA 324.A O no hydrogen 3.144 N/A THR 330.A OG1 HIS 269.A ND1 no hydrogen 3.126 N/A THR 331.A N ASN 334.A O no hydrogen 3.203 N/A THR 331.A OG1 GLU 333.A OE2 no hydrogen 3.403 N/A ASN 334.A N THR 331.A OG1 no hydrogen 2.941 N/A ILE 336.A N HIS 269.A O no hydrogen 2.912 N/A PHE 337.A N ILE 310.A O no hydrogen 3.054 N/A VAL 338.A N PHE 271.A O no hydrogen 3.054 N/A VAL 339.A N GLU 308.A O no hydrogen 2.664 N/A SER 340.A N GLN 274.A OE1 no hydrogen 2.456 N/A SER 340.A OG ASN 306.A O no hydrogen 3.301 N/A GLU 342.A N SER 340.A OG no hydrogen 3.289 N/A THR 346.A OG1 GLN 274.A O no hydrogen 3.099 N/A ILE 347.A N GLN 275.A O no hydrogen 3.021 N/A GLY 348.A N GLN 275.A O no hydrogen 2.706 N/A LEU 349.A N TYR 551.A OH no hydrogen 3.226 N/A ARG 362.A N HIS 360.A ND1 no hydrogen 3.240 N/A ASP 366.A N ASP 364.A OD1 no hydrogen 3.337 N/A ASP 368.A N ASP 364.A O no hydrogen 2.726 N/A ALA 369.A N LEU 365.A O no hydrogen 3.267 N/A SER 370.A N ASP 366.A O no hydrogen 2.925 N/A MET 371.A N GLY 367.A O no hydrogen 2.640 N/A ALA 372.A N ASP 368.A O no hydrogen 2.572 N/A LYS 373.A N ALA 369.A O no hydrogen 3.212 N/A LYS 373.A NZ GLU 87.A OE1 no hydrogen 3.063 N/A LYS 373.A NZ GLU 87.A OE2 no hydrogen 2.918 N/A ALA 374.A N SER 370.A O no hydrogen 3.420 N/A ILE 375.A N MET 371.A O no hydrogen 2.927 N/A THR 376.A N ALA 372.A O no hydrogen 2.998 N/A THR 376.A OG1 ALA 372.A O no hydrogen 2.649 N/A GLY 377.A N LYS 373.A O no hydrogen 2.988 N/A VAL 378.A N ALA 374.A O no hydrogen 3.153 N/A VAL 379.A N ILE 375.A O no hydrogen 3.376 N/A CYS 380.A N THR 376.A O no hydrogen 3.091 N/A CYS 380.A SG THR 376.A O no hydrogen 3.835 N/A TYR 381.A N GLY 377.A O no hydrogen 3.048 N/A ALA 382.A N VAL 378.A O no hydrogen 2.838 N/A CYS 383.A N VAL 379.A O no hydrogen 2.811 N/A CYS 383.A SG GLN 495.A OE1 no hydrogen 3.443 N/A ARG 384.A N CYS 380.A O no hydrogen 2.913 N/A ARG 384.A NH1 SER 225.A O no hydrogen 3.156 N/A ARG 384.A NH2 SER 225.A O no hydrogen 3.061 N/A ILE 385.A N TYR 381.A O no hydrogen 2.861 N/A ALA 386.A N ALA 382.A O no hydrogen 2.900 N/A SER 387.A N CYS 383.A O no hydrogen 3.067 N/A THR 388.A N ARG 384.A O no hydrogen 3.072 N/A THR 388.A OG1 ARG 384.A O no hydrogen 3.070 N/A LEU 389.A N ILE 385.A O no hydrogen 2.810 N/A LEU 390.A N ALA 386.A O no hydrogen 2.954 N/A LEU 391.A N SER 387.A O no hydrogen 2.779 N/A TYR 392.A N THR 388.A O no hydrogen 2.756 N/A GLN 393.A N LEU 389.A O no hydrogen 3.068 N/A GLN 393.A NE2 LEU 389.A O no hydrogen 2.670 N/A GLU 394.A N LEU 390.A O no hydrogen 2.801 N/A LEU 395.A N LEU 391.A O no hydrogen 2.719 N/A MET 396.A N TYR 392.A O no hydrogen 2.912 N/A ARG 397.A N GLN 393.A O no hydrogen 2.993 N/A ARG 397.A NE GLU 394.A OE2 no hydrogen 2.759 N/A ARG 397.A NH1 ALA 479.A O no hydrogen 3.289 N/A ARG 397.A NH1 THR 484.A O no hydrogen 3.438 N/A ARG 397.A NH2 GLU 394.A OE2 no hydrogen 2.715 N/A ARG 397.A NH2 THR 484.A O no hydrogen 2.506 N/A LYS 398.A N GLU 394.A O no hydrogen 3.142 N/A GLY 399.A N LEU 395.A O no hydrogen 2.881 N/A ILE 400.A N MET 396.A O no hydrogen 3.001 N/A ARG 401.A N ARG 397.A O no hydrogen 3.338 N/A TRP 402.A N LYS 398.A O no hydrogen 3.089 N/A LEU 403.A N GLY 399.A O no hydrogen 2.876 N/A ILE 404.A N ILE 400.A O no hydrogen 2.950 N/A GLU 405.A N ARG 401.A O no hydrogen 3.223 N/A LEU 406.A N TRP 402.A O no hydrogen 2.798 N/A ILE 407.A N LEU 403.A O no hydrogen 2.835 N/A LYS 408.A N ILE 404.A O no hydrogen 3.086 N/A ASP 409.A N GLU 405.A O no hydrogen 3.219 N/A ASP 410.A N LEU 406.A O no hydrogen 2.975 N/A TYR 411.A N ILE 407.A O no hydrogen 2.593 N/A ASN 412.A N LYS 408.A O no hydrogen 2.762 N/A GLU 413.A N ASP 409.A O no hydrogen 2.743 N/A THR 414.A N ASP 410.A O no hydrogen 3.066 N/A THR 414.A OG1 TYR 411.A O no hydrogen 3.552 N/A VAL 415.A N TYR 411.A O no hydrogen 2.969 N/A HIS 416.A N ASN 412.A O no hydrogen 3.101 N/A LYS 417.A N GLU 413.A O no hydrogen 3.206 N/A LYS 418.A N THR 414.A O no hydrogen 2.944 N/A THR 419.A N VAL 415.A O no hydrogen 3.269 N/A THR 419.A OG1 VAL 415.A O no hydrogen 3.216 N/A GLU 420.A N HIS 416.A O no hydrogen 2.745 N/A VAL 421.A N LYS 417.A O no hydrogen 2.966 N/A VAL 421.A N LYS 418.A O no hydrogen 2.699 N/A VAL 422.A N LYS 418.A O no hydrogen 2.746 N/A ILE 423.A N THR 419.A O no hydrogen 3.238 N/A THR 424.A N VAL 421.A O no hydrogen 3.128 N/A THR 424.A OG1 VAL 421.A O no hydrogen 2.620 N/A LEU 425.A N VAL 421.A O no hydrogen 2.695 N/A ASP 426.A N VAL 422.A O no hydrogen 2.684 N/A CYS 428.A N THR 424.A O no hydrogen 2.708 N/A ILE 429.A N LEU 425.A O no hydrogen 2.834 N/A ARG 430.A NH1 GLU 433.A OE1 no hydrogen 2.732 N/A ASN 431.A N PHE 427.A O no hydrogen 3.145 N/A ILE 432.A N CYS 428.A O no hydrogen 3.320 N/A LYS 434.A N ARG 430.A O no hydrogen 2.778 N/A THR 435.A N ILE 432.A O no hydrogen 3.213 N/A THR 435.A OG1 ILE 432.A O no hydrogen 2.477 N/A VAL 436.A N ILE 432.A O no hydrogen 3.365 N/A LYS 437.A N GLU 433.A O no hydrogen 3.241 N/A VAL 438.A N LYS 434.A O no hydrogen 3.470 N/A ASP 442.A N GLU 439.A O no hydrogen 2.878 N/A ILE 443.A N ILE 440.A O no hydrogen 2.829 N/A HIS 444.A N ILE 440.A O no hydrogen 2.907 N/A THR 445.A N SER 441.A O no hydrogen 3.121 N/A THR 445.A OG1 SER 441.A O no hydrogen 2.817 N/A THR 445.A OG1 ASP 442.A O no hydrogen 2.936 N/A LYS 446.A N ASP 442.A O no hydrogen 3.369 N/A LEU 447.A N ILE 443.A O no hydrogen 2.986 N/A LEU 448.A N HIS 444.A O no hydrogen 2.782 N/A LEU 450.A N LEU 447.A O no hydrogen 2.745 N/A SER 451.A N LEU 447.A O no hydrogen 3.403 N/A SER 452.A N LEU 448.A O no hydrogen 3.157 N/A SER 452.A OG LEU 448.A O no hydrogen 3.451 N/A SER 452.A OG ARG 449.A O no hydrogen 2.817 N/A SER 453.A N ARG 449.A O no hydrogen 2.646 N/A GLN 454.A N LEU 450.A O no hydrogen 2.588 N/A GLY 455.A N SER 451.A O no hydrogen 2.886 N/A GLY 455.A N SER 452.A O no hydrogen 3.343 N/A THR 456.A OG1 SER 453.A O no hydrogen 2.850 N/A GLU 458.A N GLN 454.A O no hydrogen 3.167 N/A THR 459.A N GLY 455.A O no hydrogen 3.117 N/A SER 460.A N THR 456.A O no hydrogen 3.297 N/A SER 460.A OG THR 456.A O no hydrogen 3.219 N/A LEU 461.A N ILE 457.A O no hydrogen 2.698 N/A GLN 462.A N GLU 458.A O no hydrogen 2.924 N/A ASP 463.A N THR 459.A O no hydrogen 3.222 N/A ASP 463.A N SER 460.A O no hydrogen 3.229 N/A ILE 464.A N SER 460.A O no hydrogen 3.115 N/A ASP 465.A N LEU 461.A O no hydrogen 2.877 N/A SER 466.A N GLN 462.A O no hydrogen 3.054 N/A ARG 467.A N ASP 463.A O no hydrogen 3.246 N/A ARG 467.A NE ASP 463.A O no hydrogen 3.239 N/A ARG 467.A NH1 GLN 571.A OE1 no hydrogen 2.490 N/A ARG 467.A NH2 GLN 571.A OE1 no hydrogen 2.851 N/A LEU 468.A N ILE 464.A O no hydrogen 2.920 N/A LEU 468.A N ASP 465.A O no hydrogen 2.971 N/A SER 469.A OG ASP 465.A O no hydrogen 2.864 N/A GLY 472.A N SER 469.A O no hydrogen 2.812 N/A ALA 479.A N ASP 476.A O no hydrogen 2.789 N/A HIS 480.A N ALA 477.A O no hydrogen 2.963 N/A GLN 481.A N TRP 478.A O no hydrogen 2.949 N/A GLU 482.A N TRP 478.A O no hydrogen 3.095 N/A THR 484.A N GLN 393.A OE1 no hydrogen 2.735 N/A THR 484.A OG1 GLN 393.A OE1 no hydrogen 3.503 N/A HIS 485.A N ASP 488.A OD2 no hydrogen 2.628 N/A ASP 488.A N HIS 485.A O no hydrogen 2.872 N/A ARG 489.A N PRO 486.A O no hydrogen 2.890 N/A GLU 492.A N GLU 492.A OE1 no hydrogen 2.598 N/A LYS 493.A N ARG 489.A O no hydrogen 3.286 N/A LYS 493.A NZ ASP 488.A O no hydrogen 3.411 N/A LEU 494.A N ASN 490.A O no hydrogen 3.191 N/A GLN 495.A N VAL 491.A O no hydrogen 2.939 N/A VAL 496.A N GLU 492.A O no hydrogen 2.973 N/A LEU 497.A N LYS 493.A O no hydrogen 3.466 N/A LEU 498.A N LEU 494.A O no hydrogen 2.851 N/A ASN 499.A N GLN 495.A O no hydrogen 2.769 N/A CYS 500.A N VAL 496.A O no hydrogen 3.150 N/A CYS 500.A SG VAL 496.A O no hydrogen 3.529 N/A MET 501.A N LEU 497.A O no hydrogen 2.941 N/A THR 502.A N LEU 498.A O no hydrogen 2.629 N/A THR 502.A OG1 LEU 498.A O no hydrogen 2.593 N/A GLU 503.A N ASN 499.A O no hydrogen 3.043 N/A ILE 504.A N CYS 500.A O no hydrogen 3.507 N/A TYR 505.A N MET 501.A O no hydrogen 3.054 N/A TYR 506.A N THR 502.A O no hydrogen 3.009 N/A GLN 507.A N GLU 503.A O no hydrogen 2.973 N/A GLN 507.A NE2 ASP 511.A OD1 no hydrogen 2.656 N/A PHE 508.A N ILE 504.A O no hydrogen 2.761 N/A LYS 509.A N TYR 505.A O no hydrogen 2.959 N/A LYS 509.A NZ TYR 505.A OH no hydrogen 2.787 N/A LYS 510.A N TYR 506.A O no hydrogen 3.052 N/A ASP 511.A N GLN 507.A O no hydrogen 2.645 N/A LYS 512.A N PHE 508.A O no hydrogen 2.885 N/A GLU 514.A N LYS 510.A O no hydrogen 3.434 N/A GLU 521.A N GLU 521.A OE1 no hydrogen 2.409 N/A GLU 522.A N ALA 518.A O no hydrogen 2.758 N/A GLN 523.A N TYR 519.A O no hydrogen 3.064 N/A ILE 524.A N ASN 520.A O no hydrogen 3.131 N/A HIS 525.A N GLU 521.A O no hydrogen 3.097 N/A HIS 525.A ND1 ASP 511.A OD2 no hydrogen 3.060 N/A HIS 525.A NE2 ASP 368.A OD2 no hydrogen 3.321 N/A LYS 526.A N GLU 522.A O no hydrogen 3.074 N/A LYS 526.A NZ GLU 522.A OE2 no hydrogen 3.472 N/A PHE 527.A N GLN 523.A O no hydrogen 2.883 N/A ASP 528.A N ILE 524.A O no hydrogen 3.188 N/A LYS 529.A N HIS 525.A O no hydrogen 3.300 N/A LYS 529.A N LYS 526.A O no hydrogen 3.249 N/A LYS 529.A NZ HIS 360.A O no hydrogen 2.444 N/A LYS 529.A NZ ARG 362.A O no hydrogen 3.390 N/A LYS 529.A NZ ASP 368.A OD1 no hydrogen 3.224 N/A LYS 531.A N PHE 527.A O no hydrogen 3.345 N/A LEU 532.A N ASP 528.A O no hydrogen 2.965 N/A TYR 533.A N LYS 529.A O no hydrogen 3.452 N/A TYR 534.A N GLN 530.A O no hydrogen 2.904 N/A HIS 535.A N LYS 531.A O no hydrogen 2.671 N/A ALA 536.A N LEU 532.A O no hydrogen 2.899 N/A THR 537.A N TYR 533.A O no hydrogen 2.802 N/A THR 537.A OG1 TYR 533.A O no hydrogen 2.958 N/A LYS 538.A N TYR 534.A O no hydrogen 3.050 N/A LYS 538.A NZ TYR 534.A OH no hydrogen 2.500 N/A ALA 539.A N HIS 535.A O no hydrogen 2.925 N/A MET 540.A N ALA 536.A O no hydrogen 2.862 N/A THR 541.A N THR 537.A O no hydrogen 2.935 N/A THR 541.A OG1 THR 537.A O no hydrogen 2.828 N/A HIS 542.A N LYS 538.A O no hydrogen 2.990 N/A HIS 542.A NE2 ASN 490.A OD1 no hydrogen 2.948 N/A PHE 543.A N ALA 539.A O no hydrogen 2.711 N/A THR 544.A N MET 540.A O no hydrogen 2.812 N/A THR 544.A OG1 MET 540.A O no hydrogen 2.782 N/A THR 544.A OG1 THR 541.A O no hydrogen 3.339 N/A THR 544.A OG1 ASP 545.A OD1 no hydrogen 3.077 N/A ASP 545.A N THR 541.A O no hydrogen 2.785 N/A GLU 546.A N HIS 542.A O no hydrogen 3.098 N/A VAL 548.A N PHE 543.A O no hydrogen 3.063 N/A LYS 550.A N GLU 546.A O no hydrogen 3.291 N/A LYS 550.A NZ GLU 546.A OE2 no hydrogen 2.887 N/A TYR 551.A N CYS 547.A O no hydrogen 2.953 N/A GLU 552.A N VAL 548.A O no hydrogen 2.998 N/A ALA 553.A N LYS 549.A O no hydrogen 3.231 N/A PHE 554.A N LYS 550.A O no hydrogen 3.008 N/A LEU 555.A N TYR 551.A O no hydrogen 2.898 N/A ASN 556.A N GLU 552.A O no hydrogen 2.841 N/A LYS 557.A N ALA 553.A O no hydrogen 2.954 N/A SER 558.A N PHE 554.A O no hydrogen 2.896 N/A SER 558.A OG PHE 554.A O no hydrogen 3.227 N/A GLU 559.A N LEU 555.A O no hydrogen 3.030 N/A TRP 561.A N LYS 557.A O no hydrogen 3.028 N/A ILE 562.A N SER 558.A O no hydrogen 2.505 N/A ARG 563.A N GLU 559.A O no hydrogen 3.197 N/A LYS 564.A N GLU 560.A O no hydrogen 3.076 N/A LYS 564.A NZ SER 473.A O no hydrogen 2.382 N/A MET 565.A N TRP 561.A O no hydrogen 2.998 N/A LEU 566.A N ILE 562.A O no hydrogen 3.055 N/A HIS 567.A N ARG 563.A O no hydrogen 3.282 N/A LEU 568.A N LYS 564.A O no hydrogen 3.075 N/A ARG 569.A N MET 565.A O no hydrogen 3.168 N/A ARG 569.A NH1 GLU 308.A OE2 no hydrogen 3.250 N/A ARG 569.A NH2 GLU 308.A OE1 no hydrogen 2.751 N/A ARG 569.A NH2 GLU 308.A OE2 no hydrogen 2.733 N/A LYS 570.A N LEU 566.A O no hydrogen 3.186 N/A GLN 571.A N HIS 567.A O no hydrogen 3.056 N/A LEU 572.A N LEU 568.A O no hydrogen 2.789 N/A LEU 573.A N ARG 569.A O no hydrogen 2.982 N/A SER 574.A N LYS 570.A O no hydrogen 3.253 N/A LEU 575.A N GLN 571.A O no hydrogen 3.143 N/A THR 576.A N LEU 572.A O no hydrogen 2.696 N/A THR 576.A OG1 LEU 572.A O no hydrogen 2.568 N/A ASN 577.A N LEU 573.A O no hydrogen 2.782 N/A GLN 578.A N SER 574.A O no hydrogen 3.248 N/A CYS 579.A N LEU 575.A O no hydrogen 3.291 N/A CYS 579.A SG LEU 575.A O no hydrogen 3.344 N/A PHE 580.A N THR 576.A O no hydrogen 3.370 N/A ASP 581.A N ASN 577.A O no hydrogen 3.037 N/A ILE 582.A N GLN 578.A O no hydrogen 2.768 N/A GLU 583.A N CYS 579.A O no hydrogen 3.001 N/A GLU 584.A N PHE 580.A O no hydrogen 3.113 N/A GLU 584.A N ASP 581.A O no hydrogen 3.275 N/A GLU 585.A N ASP 581.A O no hydrogen 3.223 N/A VAL 586.A N ILE 582.A O no hydrogen 3.041 N/A SER 587.A N GLU 583.A O no hydrogen 3.059 N/A SER 587.A OG GLU 583.A O no hydrogen 3.311 N/A SER 587.A OG GLU 584.A O no hydrogen 2.827 N/A LYS 588.A N GLU 585.A O no hydrogen 3.324 N/A TYR 589.A N GLU 585.A O no hydrogen 3.305 N/A GLN 590.A NE2 SER 587.A O no hydrogen 3.344 N/A THR 593.A OG1 GLN 590.A O no hydrogen 3.201 N/A THR 593.A OG1 ASN 594.A OD1 no hydrogen 2.576 N/A ASN 594.A N GLU 591.A O no hydrogen 2.932 N/A