Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6wiv_A.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 48.A N ASP 91.A OD2 no hydrogen 2.836 N/A GLU 49.A N GLU 49.A OE1 no hydrogen 2.584 N/A ARG 50.A NH2 ASN 83.A O no hydrogen 3.530 N/A ARG 51.A N ASP 91.A O no hydrogen 3.354 N/A VAL 53.A N GLU 93.A O no hydrogen 2.848 N/A ILE 55.A N LYS 95.A O no hydrogen 3.120 N/A GLY 56.A N ILE 124.A O no hydrogen 2.823 N/A ALA 57.A N ILE 97.A O no hydrogen 3.477 N/A LEU 58.A N MET 126.A O no hydrogen 2.829 N/A PHE 59.A N HIS 99.A O no hydrogen 3.195 N/A MET 61.A N ASP 100.A OD1 no hydrogen 3.078 N/A GLY 68.A N PRO 60.A O no hydrogen 2.669 N/A ALA 70.A N GLY 67.A O no hydrogen 3.377 N/A ALA 70.A N GLY 345.A O no hydrogen 3.326 N/A CYS 71.A N GLY 67.A O no hydrogen 3.027 N/A CYS 71.A SG GLY 67.A O no hydrogen 3.224 N/A GLN 72.A N GLY 68.A O no hydrogen 2.797 N/A ALA 74.A N ALA 70.A O no hydrogen 3.404 N/A VAL 75.A N CYS 71.A O no hydrogen 3.271 N/A GLU 76.A N GLN 72.A O no hydrogen 2.867 N/A MET 77.A N PRO 73.A O no hydrogen 2.536 N/A ALA 78.A N ALA 74.A O no hydrogen 3.248 N/A LEU 79.A N VAL 75.A O no hydrogen 2.968 N/A ASP 81.A N MET 77.A O no hydrogen 3.135 N/A VAL 82.A N ALA 78.A O no hydrogen 2.793 N/A ASN 83.A N LEU 79.A O no hydrogen 2.649 N/A ASN 83.A ND2 LEU 94.A O no hydrogen 3.129 N/A SER 84.A N GLU 80.A O no hydrogen 3.277 N/A ARG 85.A NH1 ILE 321.A O no hydrogen 3.410 N/A ARG 85.A NH2 ASP 87.A OD2 no hydrogen 3.081 N/A TYR 92.A OH GLU 379.A OE1 no hydrogen 2.113 N/A GLU 93.A N ARG 51.A O no hydrogen 2.782 N/A LEU 94.A N ASN 83.A OD1 no hydrogen 3.183 N/A LYS 95.A N VAL 53.A O no hydrogen 3.144 N/A ILE 97.A N ILE 55.A O no hydrogen 3.084 N/A HIS 99.A N ALA 57.A O no hydrogen 3.093 N/A SER 101.A N PHE 59.A O no hydrogen 3.287 N/A LYS 102.A N ASP 100.A OD1 no hydrogen 3.295 N/A CYS 103.A N SER 101.A OG no hydrogen 3.040 N/A ASP 104.A N SER 101.A O no hydrogen 3.427 N/A GLN 107.A N ASP 104.A OD1 no hydrogen 2.787 N/A GLN 107.A NE2 TYR 111.A OH no hydrogen 3.521 N/A ALA 108.A N ASP 104.A O no hydrogen 2.752 N/A ALA 108.A N PRO 105.A O no hydrogen 3.110 N/A THR 109.A N PRO 105.A O no hydrogen 2.907 N/A THR 109.A OG1 PRO 105.A O no hydrogen 2.833 N/A LEU 112.A N ALA 108.A O no hydrogen 2.885 N/A TYR 113.A N THR 109.A O no hydrogen 2.943 N/A GLU 114.A N LYS 110.A O no hydrogen 2.898 N/A LEU 115.A N TYR 111.A O no hydrogen 2.894 N/A LEU 116.A N LEU 112.A O no hydrogen 2.916 N/A TYR 117.A N TYR 113.A O no hydrogen 2.963 N/A ASN 118.A N LEU 115.A O no hydrogen 3.506 N/A ASN 118.A ND2 GLU 114.A O no hydrogen 3.213 N/A LYS 122.A N TYR 383.A OH no hydrogen 3.193 N/A LYS 122.A NZ LEU 115.A O no hydrogen 2.872 N/A LYS 122.A NZ PRO 120.A O no hydrogen 2.923 N/A ILE 123.A N TYR 54.A O no hydrogen 3.105 N/A LEU 125.A N ILE 146.A O no hydrogen 3.121 N/A GLY 128.A N LEU 58.A O no hydrogen 3.205 N/A CYS 129.A SG TRP 65.A O no hydrogen 3.725 N/A SER 133.A N CYS 129.A O no hydrogen 3.304 N/A SER 133.A OG SER 152.A OG no hydrogen 2.974 N/A THR 134.A N SER 130.A O no hydrogen 2.884 N/A THR 134.A OG1 SER 131.A O no hydrogen 2.601 N/A LEU 135.A N SER 131.A O no hydrogen 2.973 N/A VAL 136.A N VAL 132.A O no hydrogen 2.930 N/A ALA 137.A N SER 133.A O no hydrogen 2.848 N/A GLU 138.A N THR 134.A O no hydrogen 2.925 N/A ALA 139.A N LEU 135.A O no hydrogen 2.954 N/A MET 142.A N ALA 139.A O no hydrogen 3.411 N/A TRP 143.A N ALA 140.A O no hydrogen 2.859 N/A ASN 144.A N ARG 141.A O no hydrogen 3.446 N/A VAL 147.A N THR 165.A O no hydrogen 2.956 N/A LEU 148.A N LEU 125.A O no hydrogen 3.073 N/A SER 149.A N PHE 167.A O no hydrogen 2.890 N/A SER 149.A OG PRO 127.A O no hydrogen 3.265 N/A SER 149.A OG SER 152.A OG no hydrogen 2.277 N/A SER 152.A N SER 149.A OG no hydrogen 3.056 N/A SER 152.A OG GLY 128.A O no hydrogen 3.379 N/A SER 152.A OG CYS 129.A O no hydrogen 3.224 N/A SER 152.A OG SER 133.A OG no hydrogen 2.974 N/A SER 152.A OG SER 149.A OG no hydrogen 2.277 N/A ALA 156.A N SER 154.A OG no hydrogen 3.261 N/A LEU 157.A N SER 154.A O no hydrogen 3.288 N/A SER 158.A N PRO 155.A O no hydrogen 3.362 N/A SER 158.A OG PRO 155.A O no hydrogen 2.901 N/A ARG 160.A NE TYR 393.A OH no hydrogen 2.641 N/A ARG 160.A NH1 PHE 163.A O no hydrogen 3.290 N/A ARG 160.A NH1 PHE 166.A O no hydrogen 3.066 N/A ARG 160.A NH2 PHE 166.A O no hydrogen 3.350 N/A GLN 161.A N ASN 159.A OD1 no hydrogen 3.214 N/A ARG 162.A N ASN 159.A O no hydrogen 3.193 N/A ARG 162.A NH2 GLU 138.A OE1 no hydrogen 2.980 N/A ARG 162.A NH2 GLU 138.A OE2 no hydrogen 3.468 N/A PHE 163.A N ASN 159.A O no hydrogen 3.070 N/A THR 165.A OG1 LEU 145.A O no hydrogen 2.985 N/A PHE 167.A N VAL 147.A O no hydrogen 2.903 N/A ARG 168.A N GLY 414.A O no hydrogen 3.218 N/A ARG 168.A NH1 SER 152.A O no hydrogen 2.645 N/A ARG 168.A NH1 SER 154.A O no hydrogen 2.794 N/A ARG 168.A NH2 SER 154.A O no hydrogen 2.998 N/A THR 169.A N SER 149.A O no hydrogen 2.930 N/A THR 169.A OG1 SER 149.A O no hydrogen 3.510 N/A THR 169.A OG1 LEU 352.A O no hydrogen 3.346 N/A HIS 170.A ND1 GLU 349.A OE1 no hydrogen 2.823 N/A SER 172.A OG THR 174.A OG1 no hydrogen 3.228 N/A ALA 173.A N SER 153.A O no hydrogen 3.294 N/A THR 174.A N SER 172.A OG no hydrogen 3.203 N/A THR 174.A OG1 SER 172.A OG no hydrogen 3.228 N/A LEU 175.A N SER 172.A O no hydrogen 3.037 N/A HIS 176.A N ALA 173.A O no hydrogen 2.949 N/A ASN 177.A N THR 174.A O no hydrogen 2.902 N/A ASN 177.A ND2 THR 174.A O no hydrogen 3.473 N/A ASN 177.A ND2 THR 205.A O no hydrogen 3.430 N/A ASN 177.A ND2 ASP 208.A OD2 no hydrogen 3.060 N/A THR 179.A OG1 THR 420.A OG1 no hydrogen 2.595 N/A ARG 180.A N HIS 176.A O no hydrogen 3.216 N/A VAL 181.A N ASN 177.A O no hydrogen 3.103 N/A LYS 182.A N PRO 178.A O no hydrogen 3.375 N/A LEU 183.A N THR 179.A O no hydrogen 2.915 N/A PHE 184.A N ARG 180.A O no hydrogen 2.863 N/A GLU 185.A N VAL 181.A O no hydrogen 2.900 N/A LYS 186.A N LYS 182.A O no hydrogen 2.734 N/A TRP 187.A N PHE 184.A O no hydrogen 2.956 N/A TRP 189.A N PHE 184.A O no hydrogen 3.238 N/A TRP 189.A NE1 PRO 457.A O no hydrogen 2.609 N/A ILE 192.A N GLU 219.A O no hydrogen 3.156 N/A ALA 193.A N ILE 244.A O no hydrogen 2.903 N/A THR 194.A N PHE 222.A O no hydrogen 2.827 N/A ILE 195.A N VAL 246.A O no hydrogen 2.893 N/A GLN 197.A N LEU 248.A O no hydrogen 2.900 N/A GLN 197.A NE2 GLU 253.A OE2 no hydrogen 2.562 N/A THR 198.A N PHE 226.A O no hydrogen 3.179 N/A THR 198.A OG1 SER 225.A OG no hydrogen 2.449 N/A THR 199.A OG1 THR 198.A O no hydrogen 2.706 N/A THR 203.A N THR 199.A O no hydrogen 2.918 N/A THR 203.A OG1 GLN 196.A OE1 no hydrogen 3.387 N/A THR 203.A OG1 THR 199.A O no hydrogen 2.218 N/A SER 204.A N GLU 200.A O no hydrogen 2.903 N/A SER 204.A OG GLU 200.A O no hydrogen 3.418 N/A THR 205.A N VAL 201.A O no hydrogen 2.924 N/A THR 205.A OG1 VAL 201.A O no hydrogen 2.629 N/A LEU 206.A N PHE 202.A O no hydrogen 2.926 N/A ASP 207.A N THR 203.A O no hydrogen 2.918 N/A ASP 208.A N SER 204.A O no hydrogen 2.941 N/A LEU 209.A N THR 205.A O no hydrogen 2.897 N/A GLU 210.A N LEU 206.A O no hydrogen 2.970 N/A ARG 212.A N ASP 208.A O no hydrogen 2.918 N/A ARG 212.A NE ASP 208.A OD2 no hydrogen 3.509 N/A VAL 213.A N LEU 209.A O no hydrogen 2.899 N/A LYS 214.A N GLU 210.A O no hydrogen 2.947 N/A GLY 217.A N LYS 214.A O no hydrogen 3.210 N/A ILE 218.A N VAL 213.A O no hydrogen 3.008 N/A GLU 219.A N LYS 190.A O no hydrogen 3.113 N/A THR 221.A N ILE 192.A O no hydrogen 3.224 N/A GLN 224.A N THR 194.A O no hydrogen 3.023 N/A GLN 224.A NE2 ARG 223.A O no hydrogen 2.402 N/A PHE 226.A N GLN 196.A O no hydrogen 3.278 N/A VAL 234.A N PRO 230.A O no hydrogen 3.175 N/A LYS 235.A N ALA 231.A O no hydrogen 2.944 N/A ASN 236.A N VAL 232.A O no hydrogen 2.911 N/A LEU 237.A N PRO 233.A O no hydrogen 2.885 N/A LYS 238.A N VAL 234.A O no hydrogen 2.921 N/A LYS 238.A NZ GLU 264.A O no hydrogen 2.249 N/A ARG 239.A N LYS 235.A O no hydrogen 2.912 N/A GLN 240.A N ASN 236.A O no hydrogen 2.693 N/A ARG 243.A NH1 ASP 241.A OD1 no hydrogen 2.823 N/A ARG 243.A NH2 ASP 241.A OD1 no hydrogen 2.940 N/A ILE 245.A N VAL 272.A O no hydrogen 3.046 N/A VAL 246.A N ALA 193.A O no hydrogen 2.898 N/A GLY 247.A N PHE 274.A O no hydrogen 2.821 N/A LEU 248.A N ILE 195.A O no hydrogen 2.913 N/A TYR 250.A N GLN 197.A OE1 no hydrogen 3.477 N/A THR 252.A OG1 GLU 253.A OE1 no hydrogen 2.435 N/A GLU 253.A N GLU 253.A OE1 no hydrogen 2.492 N/A ARG 255.A N GLU 251.A O no hydrogen 2.983 N/A ARG 255.A NE TRP 283.A O no hydrogen 2.848 N/A ARG 255.A NH1 ASP 288.A OD2 no hydrogen 3.142 N/A VAL 257.A N GLU 253.A O no hydrogen 2.872 N/A PHE 258.A N ALA 254.A O no hydrogen 2.925 N/A CYS 259.A N ARG 255.A O no hydrogen 2.944 N/A GLU 260.A N LYS 256.A O no hydrogen 2.924 N/A VAL 261.A N VAL 257.A O no hydrogen 2.888 N/A TYR 262.A N PHE 258.A O no hydrogen 2.878 N/A LYS 263.A N CYS 259.A O no hydrogen 2.971 N/A GLU 264.A N GLU 260.A O no hydrogen 2.917 N/A ARG 265.A N TYR 262.A O no hydrogen 3.296 N/A LEU 266.A N VAL 261.A O no hydrogen 3.057 N/A VAL 272.A N ARG 243.A O no hydrogen 2.991 N/A PHE 274.A N ILE 245.A O no hydrogen 2.924 N/A LEU 275.A N ILE 306.A O no hydrogen 3.070 N/A TYR 279.A OH PHE 249.A O no hydrogen 2.344 N/A ASN 282.A N ASN 282.A OD1 no hydrogen 2.535 N/A TRP 283.A NE1 TYR 430.A OH no hydrogen 3.171 N/A LYS 285.A N ASN 282.A O no hydrogen 2.976 N/A LYS 285.A NZ GLY 428.A O no hydrogen 2.678 N/A ILE 286.A N TRP 283.A O no hydrogen 3.311 N/A SER 290.A N ASP 288.A OD1 no hydrogen 2.991 N/A SER 290.A OG ASP 288.A OD1 no hydrogen 2.897 N/A CYS 293.A SG THR 294.A O no hydrogen 3.704 N/A THR 294.A N GLU 297.A OE1 no hydrogen 2.546 N/A VAL 295.A N THR 294.A OG1 no hydrogen 2.577 N/A MET 298.A N THR 294.A O no hydrogen 3.125 N/A THR 299.A N VAL 295.A O no hydrogen 2.887 N/A THR 299.A OG1 VAL 295.A O no hydrogen 3.437 N/A GLU 300.A N ASP 296.A O no hydrogen 2.912 N/A ALA 301.A N GLU 297.A O no hydrogen 2.905 N/A VAL 302.A N MET 298.A O no hydrogen 2.869 N/A GLY 304.A N LEU 425.A O no hydrogen 2.928 N/A ILE 306.A N TRP 273.A O no hydrogen 3.192 N/A THR 307.A N GLU 423.A O no hydrogen 2.900 N/A THR 308.A OG1 HIS 176.A ND1 no hydrogen 2.820 N/A GLU 309.A N LEU 421.A O no hydrogen 2.959 N/A VAL 311.A N TRP 419.A O no hydrogen 3.290 N/A ASN 314.A N VAL 404.A O no hydrogen 3.178 N/A SER 320.A N MET 324.A O no hydrogen 3.122 N/A ILE 321.A N GLU 402.A O no hydrogen 3.167 N/A SER 322.A N SER 320.A OG no hydrogen 3.133 N/A SER 322.A OG ASP 81.A OD2 no hydrogen 3.224 N/A SER 322.A OG TYR 354.A OH no hydrogen 2.778 N/A ASN 323.A N SER 320.A O no hydrogen 3.215 N/A SER 326.A OG ASN 314.A O no hydrogen 3.362 N/A GLU 328.A N THR 325.A OG1 no hydrogen 3.338 N/A PHE 329.A N THR 325.A O no hydrogen 3.008 N/A VAL 330.A N SER 326.A O no hydrogen 2.945 N/A GLU 331.A N GLN 327.A O no hydrogen 2.896 N/A LYS 332.A N GLU 328.A O no hydrogen 2.914 N/A LEU 333.A N PHE 329.A O no hydrogen 2.873 N/A THR 334.A N VAL 330.A O no hydrogen 2.926 N/A THR 334.A OG1 VAL 330.A O no hydrogen 3.412 N/A THR 334.A OG1 GLU 331.A O no hydrogen 3.164 N/A LYS 335.A N GLU 331.A O no hydrogen 2.932 N/A ARG 336.A N LYS 332.A O no hydrogen 3.103 N/A ARG 336.A NH1 GLU 80.A OE1 no hydrogen 3.083 N/A LEU 337.A N LEU 333.A O no hydrogen 2.703 N/A HIS 340.A ND1 GLU 342.A OE2 no hydrogen 3.133 N/A GLU 342.A N GLU 342.A OE1 no hydrogen 2.618 N/A GLU 343.A N HIS 340.A O no hydrogen 2.851 N/A THR 344.A N HIS 340.A O no hydrogen 2.967 N/A THR 344.A OG1 HIS 340.A O no hydrogen 3.325 N/A GLY 345.A N GLN 69.A OE1 no hydrogen 3.111 N/A ALA 353.A N GLU 349.A O no hydrogen 3.390 N/A TYR 354.A N ALA 350.A O no hydrogen 2.958 N/A TYR 354.A OH ASP 81.A OD2 no hydrogen 2.042 N/A TYR 354.A OH SER 322.A OG no hydrogen 2.778 N/A ASP 355.A N PRO 351.A O no hydrogen 2.907 N/A ALA 356.A N LEU 352.A O no hydrogen 2.868 N/A ILE 357.A N ALA 353.A O no hydrogen 2.957 N/A TRP 358.A N TYR 354.A O no hydrogen 2.977 N/A ALA 359.A N ASP 355.A O no hydrogen 2.840 N/A LEU 360.A N ALA 356.A O no hydrogen 2.933 N/A ALA 361.A N ILE 357.A O no hydrogen 2.912 N/A LEU 362.A N TRP 358.A O no hydrogen 2.907 N/A ALA 363.A N ALA 359.A O no hydrogen 2.904 N/A LEU 364.A N LEU 360.A O no hydrogen 2.944 N/A ASN 365.A N ALA 361.A O no hydrogen 2.900 N/A LYS 366.A N LEU 362.A O no hydrogen 2.905 N/A THR 367.A N ALA 363.A O no hydrogen 2.969 N/A THR 367.A OG1 ALA 363.A O no hydrogen 3.431 N/A THR 367.A OG1 LEU 364.A O no hydrogen 3.239 N/A GLU 379.A N GLU 379.A OE1 no hydrogen 2.431 N/A ASN 385.A N ASN 382.A O no hydrogen 3.422 N/A THR 387.A OG1 ASN 385.A OD1 no hydrogen 2.383 N/A ILE 388.A N ASN 385.A OD1 no hydrogen 2.984 N/A THR 389.A OG1 ASN 144.A O no hydrogen 2.605 N/A ASP 390.A N GLN 386.A O no hydrogen 2.905 N/A GLN 391.A N THR 387.A O no hydrogen 2.932 N/A ILE 392.A N ILE 388.A O no hydrogen 2.899 N/A TYR 393.A N THR 389.A O no hydrogen 2.876 N/A ARG 394.A N ASP 390.A O no hydrogen 2.902 N/A ALA 395.A N GLN 391.A O no hydrogen 2.937 N/A MET 396.A N ILE 392.A O no hydrogen 2.915 N/A ASN 397.A N TYR 393.A O no hydrogen 2.865 N/A SER 398.A N ARG 394.A O no hydrogen 3.328 N/A SER 398.A OG ARG 394.A O no hydrogen 2.933 N/A SER 398.A OG ALA 395.A O no hydrogen 3.124 N/A SER 399.A N MET 396.A O no hydrogen 2.875 N/A SER 400.A OG SER 399.A O no hydrogen 2.790 N/A PHE 401.A N VAL 408.A O no hydrogen 3.020 N/A GLY 403.A N GLY 406.A O no hydrogen 2.885 N/A VAL 404.A N ASP 355.A OD1 no hydrogen 2.993 N/A SER 405.A N ASP 355.A OD2 no hydrogen 3.122 N/A SER 405.A OG ASP 355.A OD2 no hydrogen 2.519 N/A GLY 406.A N GLY 403.A O no hydrogen 2.899 N/A HIS 407.A ND1 GLU 402.A OE2 no hydrogen 2.412 N/A VAL 408.A N PHE 401.A O no hydrogen 2.823 N/A ASP 411.A N SER 415.A O no hydrogen 2.737 N/A SER 413.A OG SER 158.A O no hydrogen 2.767 N/A SER 413.A OG SER 413.A O no hydrogen 2.521 N/A GLY 414.A N ASP 411.A O no hydrogen 3.298 N/A SER 415.A N ASP 411.A OD1 no hydrogen 2.480 N/A ARG 416.A NH1 SER 405.A OG no hydrogen 2.623 N/A ARG 416.A NH2 SER 405.A OG no hydrogen 2.513 N/A ARG 416.A NH2 HIS 407.A O no hydrogen 3.534 N/A MET 417.A N VAL 409.A O no hydrogen 3.159 N/A THR 420.A N TYR 436.A O no hydrogen 2.908 N/A THR 420.A OG1 THR 179.A OG1 no hydrogen 2.595 N/A THR 420.A OG1 TYR 436.A O no hydrogen 3.498 N/A LEU 421.A N GLU 309.A O no hydrogen 2.841 N/A ILE 422.A N GLY 434.A O no hydrogen 2.877 N/A GLU 423.A N THR 307.A O no hydrogen 2.903 N/A GLN 424.A N LYS 431.A O no hydrogen 3.003 N/A GLN 424.A NE2 GLY 304.A O no hydrogen 3.564 N/A GLN 424.A NE2 LYS 450.A O no hydrogen 3.439 N/A LEU 425.A N HIS 305.A O no hydrogen 3.271 N/A GLN 426.A N SER 429.A O no hydrogen 2.657 N/A GLN 426.A NE2 GLN 424.A OE1 no hydrogen 3.024 N/A GLN 426.A NE2 THR 448.A O no hydrogen 3.173 N/A SER 429.A N GLN 426.A O no hydrogen 3.207 N/A SER 429.A OG GLY 428.A O no hydrogen 2.735 N/A TYR 430.A OH HIS 305.A NE2 no hydrogen 2.850 N/A LYS 431.A N GLN 424.A O no hydrogen 2.920 N/A LYS 431.A NZ TYR 430.A O no hydrogen 3.164 N/A ILE 433.A N ILE 422.A O no hydrogen 2.812 N/A GLY 434.A N ILE 422.A O no hydrogen 2.984 N/A TYR 435.A N SER 444.A O no hydrogen 2.911 N/A TYR 436.A N THR 420.A O no hydrogen 2.905 N/A ASP 437.A N ASP 442.A O no hydrogen 2.924 N/A THR 439.A N ASP 437.A OD1 no hydrogen 3.161 N/A THR 439.A OG1 ASP 437.A OD1 no hydrogen 2.450 N/A THR 439.A OG1 ASP 437.A OD2 no hydrogen 3.036 N/A ASP 442.A N ASP 437.A O no hydrogen 2.960 N/A SER 444.A N TYR 435.A O no hydrogen 2.894 N/A SER 446.A N ILE 433.A O no hydrogen 3.342 N/A SER 446.A OG ILE 433.A O no hydrogen 2.731 N/A THR 448.A OG1 LYS 432.A O no hydrogen 3.248 N/A LYS 450.A N GLN 424.A OE1 no hydrogen 3.313 N/A THR 466.A N LEU 638.A O no hydrogen 2.910 N/A ARG 468.A N GLN 640.A O no hydrogen 2.902 N/A LEU 470.A N ASP 533.A OD1 no hydrogen 2.864 N/A ILE 476.A N GLN 472.A O no hydrogen 2.902 N/A SER 477.A N LYS 473.A O no hydrogen 2.942 N/A SER 477.A OG LYS 473.A O no hydrogen 3.477 N/A VAL 478.A N LEU 474.A O no hydrogen 2.960 N/A SER 479.A N PHE 475.A O no hydrogen 2.901 N/A SER 479.A OG PHE 475.A O no hydrogen 3.226 N/A VAL 480.A N ILE 476.A O no hydrogen 2.965 N/A LEU 481.A N SER 477.A O no hydrogen 2.985 N/A SER 482.A N VAL 478.A O no hydrogen 2.916 N/A SER 482.A OG LEU 524.A O no hydrogen 2.429 N/A SER 483.A N SER 479.A O no hydrogen 2.908 N/A LEU 484.A N VAL 480.A O no hydrogen 2.959 N/A GLY 485.A N LEU 481.A O no hydrogen 2.936 N/A ILE 486.A N SER 482.A O no hydrogen 2.898 N/A VAL 487.A N SER 483.A O no hydrogen 2.985 N/A LEU 488.A N LEU 484.A O no hydrogen 3.217 N/A ALA 489.A N GLY 485.A O no hydrogen 3.113 N/A VAL 490.A N ILE 486.A O no hydrogen 2.965 N/A VAL 491.A N VAL 487.A O no hydrogen 2.957 N/A CYS 492.A N LEU 488.A O no hydrogen 2.895 N/A CYS 492.A SG LEU 488.A O no hydrogen 3.407 N/A LEU 493.A N ALA 489.A O no hydrogen 2.998 N/A SER 494.A N VAL 490.A O no hydrogen 2.944 N/A SER 494.A OG VAL 491.A O no hydrogen 3.073 N/A PHE 495.A N VAL 491.A O no hydrogen 2.895 N/A ASN 496.A N CYS 492.A O no hydrogen 2.892 N/A ASN 496.A ND2 PRO 510.A O no hydrogen 3.652 N/A ILE 497.A N LEU 493.A O no hydrogen 2.943 N/A TYR 498.A N SER 494.A O no hydrogen 2.917 N/A ASN 499.A N PHE 495.A O no hydrogen 3.442 N/A SER 500.A OG ASN 496.A O no hydrogen 3.397 N/A SER 500.A OG ILE 497.A O no hydrogen 3.546 N/A VAL 502.A N ASN 499.A O no hydrogen 3.336 N/A GLN 506.A N VAL 502.A O no hydrogen 3.071 N/A ASN 507.A N ARG 503.A O no hydrogen 2.909 N/A ASN 507.A N TYR 504.A O no hydrogen 3.192 N/A SER 508.A OG ASN 513.A OD1 no hydrogen 3.213 N/A SER 508.A OG ASP 684.A OD1 no hydrogen 2.135 N/A ASN 511.A ND2 TYR 594.A OH no hydrogen 2.306 N/A ASN 513.A N GLN 509.A O no hydrogen 3.389 N/A ASN 514.A N PRO 510.A O no hydrogen 2.887 N/A LEU 515.A N ASN 511.A O no hydrogen 2.903 N/A THR 516.A N LEU 512.A O no hydrogen 2.911 N/A THR 516.A OG1 LEU 512.A O no hydrogen 3.093 N/A ALA 517.A N ASN 513.A O no hydrogen 2.913 N/A VAL 518.A N ASN 514.A O no hydrogen 2.921 N/A GLY 519.A N LEU 515.A O no hydrogen 2.904 N/A CYS 520.A N THR 516.A O no hydrogen 2.928 N/A CYS 520.A SG THR 516.A O no hydrogen 3.173 N/A SER 521.A N ALA 517.A O no hydrogen 2.917 N/A LEU 522.A N VAL 518.A O no hydrogen 2.936 N/A ALA 523.A N GLY 519.A O no hydrogen 2.932 N/A LEU 524.A N CYS 520.A O no hydrogen 2.902 N/A ALA 525.A N SER 521.A O no hydrogen 2.895 N/A ALA 526.A N LEU 522.A O no hydrogen 2.942 N/A VAL 527.A N LEU 524.A O no hydrogen 3.189 N/A PHE 528.A N ALA 525.A O no hydrogen 3.372 N/A GLY 531.A N PHE 528.A O no hydrogen 3.251 N/A LEU 532.A N PHE 528.A O no hydrogen 3.439 N/A TYR 535.A N ASP 533.A OD2 no hydrogen 2.775 N/A HIS 536.A N ASP 533.A O no hydrogen 3.037 N/A ILE 537.A N ASP 533.A O no hydrogen 3.192 N/A GLY 538.A N GLY 534.A O no hydrogen 2.957 N/A CYS 546.A N PHE 542.A O no hydrogen 2.955 N/A CYS 546.A SG PHE 542.A O no hydrogen 3.635 N/A GLN 547.A N PRO 543.A O no hydrogen 2.914 N/A ALA 548.A N PHE 544.A O no hydrogen 2.868 N/A ARG 549.A N VAL 545.A O no hydrogen 2.917 N/A LEU 550.A N CYS 546.A O no hydrogen 2.976 N/A TRP 551.A N GLN 547.A O no hydrogen 2.917 N/A LEU 552.A N ALA 548.A O no hydrogen 2.880 N/A LEU 553.A N ARG 549.A O no hydrogen 3.005 N/A GLY 554.A N LEU 550.A O no hydrogen 2.910 N/A LEU 555.A N TRP 551.A O no hydrogen 2.916 N/A GLY 556.A N LEU 552.A O no hydrogen 2.901 N/A PHE 557.A N LEU 553.A O no hydrogen 2.953 N/A SER 558.A N GLY 554.A O no hydrogen 2.879 N/A LEU 559.A N LEU 555.A O no hydrogen 2.954 N/A GLY 560.A N GLY 556.A O no hydrogen 2.950 N/A TYR 561.A N PHE 557.A O no hydrogen 2.897 N/A GLY 562.A N SER 558.A O no hydrogen 2.824 N/A SER 563.A N LEU 559.A O no hydrogen 3.031 N/A SER 563.A OG LEU 512.A O no hydrogen 3.280 N/A SER 563.A OG LEU 559.A O no hydrogen 3.262 N/A PHE 565.A N TYR 561.A O no hydrogen 2.891 N/A THR 566.A N GLY 562.A O no hydrogen 2.869 N/A THR 566.A OG1 GLY 562.A O no hydrogen 2.954 N/A LYS 567.A N SER 563.A O no hydrogen 2.967 N/A LYS 567.A NZ ASP 684.A OD1 no hydrogen 2.780 N/A LYS 567.A NZ ASP 684.A OD2 no hydrogen 3.254 N/A ILE 568.A N MET 564.A O no hydrogen 2.973 N/A TRP 569.A N PHE 565.A O no hydrogen 2.857 N/A TRP 570.A N THR 566.A O no hydrogen 2.923 N/A VAL 571.A N LYS 567.A O no hydrogen 2.969 N/A HIS 572.A N ILE 568.A O no hydrogen 2.937 N/A HIS 572.A NE2 GLU 673.A OE2 no hydrogen 3.221 N/A THR 573.A N TRP 569.A O no hydrogen 2.787 N/A THR 573.A OG1 TRP 569.A O no hydrogen 3.443 N/A PHE 575.A N VAL 571.A O no hydrogen 2.939 N/A THR 576.A N HIS 572.A O no hydrogen 3.347 N/A THR 576.A OG1 THR 573.A O no hydrogen 3.057 N/A THR 576.A OG1 THR 576.A O no hydrogen 2.474 N/A TYR 594.A N PRO 590.A O no hydrogen 2.934 N/A ALA 595.A N TRP 591.A O no hydrogen 2.956 N/A THR 596.A N LYS 592.A O no hydrogen 2.899 N/A THR 596.A OG1 LYS 592.A O no hydrogen 2.756 N/A GLY 598.A N TYR 594.A O no hydrogen 2.956 N/A LEU 599.A N ALA 595.A O no hydrogen 2.901 N/A LEU 600.A N THR 596.A O no hydrogen 2.989 N/A VAL 601.A N VAL 597.A O no hydrogen 2.930 N/A GLY 602.A N GLY 598.A O no hydrogen 2.891 N/A MET 603.A N LEU 599.A O no hydrogen 2.921 N/A ASP 604.A N LEU 600.A O no hydrogen 3.007 N/A VAL 605.A N VAL 601.A O no hydrogen 2.894 N/A LEU 606.A N GLY 602.A O no hydrogen 2.898 N/A THR 607.A N MET 603.A O no hydrogen 2.968 N/A THR 607.A OG1 MET 603.A O no hydrogen 3.198 N/A THR 607.A OG1 ASP 604.A O no hydrogen 2.615 N/A LEU 608.A N ASP 604.A O no hydrogen 2.961 N/A ALA 609.A N VAL 605.A O no hydrogen 2.863 N/A ILE 610.A N LEU 606.A O no hydrogen 2.929 N/A TRP 611.A N THR 607.A O no hydrogen 2.976 N/A GLN 612.A N LEU 608.A O no hydrogen 2.874 N/A ILE 613.A N ALA 609.A O no hydrogen 2.876 N/A VAL 614.A N ILE 610.A O no hydrogen 2.938 N/A ASP 615.A N TRP 611.A O no hydrogen 3.213 N/A THR 620.A N HIS 643.A O no hydrogen 3.500 N/A GLU 622.A N LEU 641.A O no hydrogen 3.275 N/A LYS 626.A NZ SER 636.A OG no hydrogen 2.629 N/A GLU 627.A N ILE 637.A O no hydrogen 3.097 N/A VAL 635.A N ILE 633.A O no hydrogen 2.536 N/A LEU 638.A N ILE 464.A O no hydrogen 2.930 N/A GLN 640.A N THR 466.A O no hydrogen 2.861 N/A LEU 641.A N GLU 622.A O no hydrogen 3.003 N/A HIS 643.A NE2 GLU 622.A OE1 no hydrogen 3.104 N/A SER 645.A N HIS 618.A O no hydrogen 3.131 N/A SER 645.A OG SER 646.A O no hydrogen 3.229 N/A ARG 647.A N ASP 615.A OD1 no hydrogen 3.103 N/A LYS 648.A N ASP 615.A OD2 no hydrogen 3.235 N/A LEU 653.A N MET 649.A O no hydrogen 2.775 N/A GLY 654.A N ASN 650.A O no hydrogen 2.898 N/A TYR 657.A N LEU 653.A O no hydrogen 2.880 N/A GLY 658.A N GLY 654.A O no hydrogen 2.924 N/A TYR 659.A N ILE 655.A O no hydrogen 2.887 N/A LYS 660.A N PHE 656.A O no hydrogen 2.923 N/A LYS 660.A NZ ASP 604.A OD1 no hydrogen 3.357 N/A GLY 661.A N TYR 657.A O no hydrogen 2.833 N/A LEU 662.A N GLY 658.A O no hydrogen 2.928 N/A LEU 663.A N TYR 659.A O no hydrogen 2.971 N/A LEU 664.A N LYS 660.A O no hydrogen 2.865 N/A LEU 665.A N GLY 661.A O no hydrogen 2.903 N/A LEU 666.A N LEU 662.A O no hydrogen 2.936 N/A GLY 667.A N LEU 663.A O no hydrogen 2.881 N/A ILE 668.A N LEU 664.A O no hydrogen 2.900 N/A PHE 669.A N LEU 665.A O no hydrogen 2.959 N/A LEU 670.A N LEU 666.A O no hydrogen 2.902 N/A ALA 671.A N GLY 667.A O no hydrogen 2.878 N/A TYR 672.A N ILE 668.A O no hydrogen 2.950 N/A GLU 673.A N PHE 669.A O no hydrogen 2.875 N/A THR 674.A N LEU 670.A O no hydrogen 2.939 N/A THR 674.A OG1 LEU 670.A O no hydrogen 3.373 N/A LYS 675.A N TYR 672.A O no hydrogen 3.149 N/A LYS 675.A NZ TYR 672.A OH no hydrogen 3.240 N/A GLU 680.A N GLU 680.A OE1 no hydrogen 2.469 N/A VAL 688.A N ASP 684.A O no hydrogen 3.182 N/A GLY 689.A N HIS 685.A O no hydrogen 2.999 N/A MET 690.A N ARG 686.A O no hydrogen 3.203 N/A ALA 691.A N ALA 687.A O no hydrogen 3.118 N/A ALA 691.A N VAL 688.A O no hydrogen 2.945 N/A ILE 692.A N VAL 688.A O no hydrogen 3.038 N/A VAL 695.A N ALA 691.A O no hydrogen 3.096 N/A ALA 696.A N ILE 692.A O no hydrogen 2.712 N/A VAL 697.A N TYR 693.A O no hydrogen 2.725 N/A LEU 698.A N ASN 694.A O no hydrogen 2.819 N/A CYS 699.A N VAL 695.A O no hydrogen 2.766 N/A LEU 700.A N ALA 696.A O no hydrogen 2.748 N/A ILE 701.A N VAL 697.A O no hydrogen 2.785 N/A THR 702.A N LEU 698.A O no hydrogen 2.677 N/A THR 702.A N CYS 699.A O no hydrogen 3.014 N/A THR 702.A OG1 LEU 698.A O no hydrogen 2.975 N/A ALA 703.A N LEU 700.A O no hydrogen 3.002 N/A THR 706.A OG1 ALA 703.A O no hydrogen 3.315 N/A ILE 708.A N PRO 704.A O no hydrogen 2.754 N/A LEU 709.A N VAL 705.A O no hydrogen 2.822 N/A GLN 713.A NE2 PHE 469.A O no hydrogen 3.227 N/A ALA 716.A N GLN 712.A O no hydrogen 3.216 N/A PHE 717.A N GLN 713.A O no hydrogen 2.934 N/A ALA 718.A N ASP 714.A O no hydrogen 2.939 N/A PHE 719.A N ALA 715.A O no hydrogen 2.916 N/A ALA 720.A N ALA 716.A O no hydrogen 2.972 N/A SER 721.A N PHE 717.A O no hydrogen 2.902 N/A LEU 722.A N ALA 718.A O no hydrogen 2.925 N/A ALA 723.A N PHE 719.A O no hydrogen 2.930 N/A ILE 724.A N ALA 720.A O no hydrogen 3.001 N/A VAL 725.A N SER 721.A O no hydrogen 2.902 N/A PHE 726.A N LEU 722.A O no hydrogen 2.887 N/A SER 727.A N ALA 723.A O no hydrogen 2.934 N/A SER 727.A OG ALA 723.A O no hydrogen 3.411 N/A SER 728.A N ILE 724.A O no hydrogen 2.975 N/A SER 728.A OG CYS 520.A O no hydrogen 3.562 N/A SER 728.A OG ILE 724.A O no hydrogen 3.094 N/A TYR 729.A N VAL 725.A O no hydrogen 2.907 N/A TYR 729.A OH LEU 481.A O no hydrogen 3.054 N/A ILE 730.A N PHE 726.A O no hydrogen 2.924 N/A THR 731.A N SER 727.A O no hydrogen 2.944 N/A THR 731.A OG1 SER 727.A O no hydrogen 3.237 N/A LEU 732.A N SER 728.A O no hydrogen 2.957 N/A VAL 733.A N TYR 729.A O no hydrogen 2.931 N/A VAL 734.A N ILE 730.A O no hydrogen 2.928 N/A LEU 735.A N THR 731.A O no hydrogen 3.255 N/A PHE 736.A N LEU 732.A O no hydrogen 3.236 N/A PHE 736.A N VAL 733.A O no hydrogen 3.213 N/A VAL 737.A N VAL 733.A O no hydrogen 2.901 N/A MET 740.A N PHE 736.A O no hydrogen 2.959 N/A ARG 741.A N VAL 737.A O no hydrogen 2.943 N/A ARG 742.A N PRO 738.A O no hydrogen 2.912 N/A ARG 742.A NH1 TYR 504.A OH no hydrogen 2.539 N/A LEU 743.A N LYS 739.A O no hydrogen 2.942 N/A ILE 744.A N MET 740.A O no hydrogen 2.908 N/A THR 745.A N ARG 741.A O no hydrogen 2.901 N/A THR 745.A OG1 ARG 741.A O no hydrogen 2.923 N/A GLY 747.A N LEU 743.A O no hydrogen 3.010 N/A GLY 747.A N ILE 744.A O no hydrogen 3.267 N/A