Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7aju_UU.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG PHE 6.A O no hydrogen 3.388 N/A SER 3.A OG ASP 603.A OD2 no hydrogen 3.285 N/A LYS 4.A N ASP 603.A OD2 no hydrogen 3.244 N/A ILE 5.A N SER 3.A OG no hydrogen 2.683 N/A PHE 6.A N SER 3.A OG no hydrogen 3.023 N/A SER 7.A N THR 637.A O no hydrogen 3.014 N/A SER 7.A OG THR 637.A OG1 no hydrogen 2.247 N/A PHE 9.A N ILE 635.A O no hydrogen 2.858 N/A ARG 10.A NH1 ASP 365.A OD1 no hydrogen 3.408 N/A ARG 10.A NH2 ASP 365.A OD1 no hydrogen 2.898 N/A ILE 12.A N ILE 633.A O no hydrogen 3.442 N/A VAL 15.A N ASN 299.A OD1 no hydrogen 2.594 N/A SER 16.A N ASN 299.A OD1 no hydrogen 3.459 N/A SER 16.A OG SER 295.A OG no hydrogen 3.008 N/A SER 16.A OG GLY 296.A O no hydrogen 3.207 N/A ASN 17.A N CYS 35.A O no hydrogen 3.163 N/A ALA 22.A N VAL 33.A O no hydrogen 2.964 N/A GLY 24.A N TYR 31.A O no hydrogen 2.939 N/A LEU 26.A N THR 29.A O no hydrogen 3.327 N/A THR 29.A N LEU 26.A O no hydrogen 3.166 N/A THR 29.A OG1 LEU 26.A O no hydrogen 3.331 N/A THR 29.A OG1 THR 29.A O no hydrogen 2.438 N/A TYR 31.A N GLY 24.A O no hydrogen 2.887 N/A TYR 31.A OH HIS 68.A O no hydrogen 2.939 N/A ILE 32.A N TYR 43.A O no hydrogen 2.916 N/A VAL 33.A N ALA 22.A O no hydrogen 2.881 N/A THR 34.A N GLN 41.A O no hydrogen 2.949 N/A THR 34.A OG1 VAL 15.A O no hydrogen 2.694 N/A CYS 35.A SG GLY 37.A O no hydrogen 3.517 N/A CYS 35.A SG THR 39.A O no hydrogen 3.385 N/A VAL 36.A N THR 39.A O no hydrogen 2.542 N/A LYS 38.A NZ PRO 59.A O no hydrogen 2.818 N/A THR 39.A N VAL 36.A O no hydrogen 2.826 N/A THR 39.A OG1 SER 54.A O no hydrogen 3.507 N/A THR 39.A OG1 SER 54.A OG no hydrogen 2.055 N/A GLN 41.A N THR 34.A O no hydrogen 2.896 N/A GLN 41.A NE2 ILE 11.A O no hydrogen 3.303 N/A ILE 42.A N PHE 52.A O no hydrogen 2.841 N/A TYR 43.A N ILE 32.A O no hydrogen 2.881 N/A TYR 43.A OH GLN 41.A OE1 no hydrogen 3.335 N/A ASP 44.A N HIS 49.A O no hydrogen 3.165 N/A ALA 45.A N PHE 30.A O no hydrogen 2.909 N/A ASN 46.A N ASP 44.A OD1 no hydrogen 2.210 N/A THR 47.A N ASP 44.A OD1 no hydrogen 3.268 N/A HIS 49.A N THR 47.A OG1 no hydrogen 3.146 N/A LEU 51.A N ILE 42.A O no hydrogen 2.932 N/A PHE 52.A N ILE 42.A O no hydrogen 3.022 N/A SER 54.A N PHE 40.A O no hydrogen 2.982 N/A SER 54.A OG THR 39.A OG1 no hydrogen 2.055 N/A GLU 55.A N GLY 86.A O no hydrogen 2.954 N/A THR 58.A N LYS 38.A O no hydrogen 3.000 N/A THR 58.A OG1 LYS 38.A O no hydrogen 2.848 N/A THR 58.A OG1 SER 60.A O no hydrogen 2.322 N/A ILE 62.A N GLY 37.A O no hydrogen 3.000 N/A VAL 63.A N ALA 75.A O no hydrogen 2.836 N/A ALA 64.A N ALA 75.A O no hydrogen 2.980 N/A SER 66.A N TYR 73.A O no hydrogen 2.973 N/A VAL 72.A N TYR 83.A O no hydrogen 2.940 N/A TYR 73.A N SER 66.A O no hydrogen 2.875 N/A ALA 74.A N GLY 81.A O no hydrogen 2.962 N/A ALA 75.A N ALA 64.A O no hydrogen 2.898 N/A ASN 78.A ND2 THR 96.A O no hydrogen 3.290 N/A LYS 79.A NZ GLU 77.A OE1 no hydrogen 3.556 N/A VAL 80.A N LEU 92.A O no hydrogen 2.913 N/A GLY 81.A N ALA 74.A O no hydrogen 2.886 N/A ILE 82.A N HIS 90.A O no hydrogen 2.860 N/A TYR 83.A N VAL 72.A O no hydrogen 2.914 N/A LYS 84.A N ILE 87.A O no hydrogen 3.033 N/A ILE 87.A N LYS 84.A O no hydrogen 2.990 N/A GLU 89.A N ILE 82.A O no hydrogen 3.123 N/A HIS 90.A N ILE 82.A O no hydrogen 3.029 N/A GLU 95.A N GLU 95.A OE2 no hydrogen 2.576 N/A GLU 101.A N SER 113.A O no hydrogen 2.474 N/A HIS 102.A N SER 113.A O no hydrogen 2.988 N/A CYS 104.A N CYS 111.A O no hydrogen 2.941 N/A CYS 104.A SG ILE 105.A O no hydrogen 3.780 N/A PHE 106.A N TYR 109.A O no hydrogen 3.177 N/A TYR 109.A N PHE 106.A O no hydrogen 2.980 N/A LEU 110.A N TYR 122.A O no hydrogen 2.914 N/A CYS 111.A N CYS 104.A O no hydrogen 2.885 N/A CYS 111.A SG CYS 104.A O no hydrogen 3.190 N/A ALA 112.A N PHE 120.A O no hydrogen 2.920 N/A SER 113.A N HIS 102.A O no hydrogen 2.886 N/A THR 114.A N SER 118.A O no hydrogen 2.848 N/A THR 114.A OG1 ASP 116.A OD1 no hydrogen 2.838 N/A THR 114.A OG1 SER 118.A O no hydrogen 3.227 N/A ASP 115.A N ASN 99.A O no hydrogen 3.081 N/A SER 118.A N THR 114.A O no hydrogen 3.011 N/A SER 118.A OG ASP 116.A O no hydrogen 2.653 N/A SER 118.A OG ASP 116.A OD1 no hydrogen 2.789 N/A ILE 119.A N LEU 139.A O no hydrogen 2.866 N/A PHE 120.A N ALA 112.A O no hydrogen 2.906 N/A ILE 121.A N THR 137.A O no hydrogen 2.904 N/A TYR 122.A N LEU 110.A O no hydrogen 2.881 N/A LYS 123.A N GLU 134.A O no hydrogen 2.684 N/A LYS 124.A N ASP 108.A O no hydrogen 3.150 N/A LYS 124.A NZ ASP 129.A O no hydrogen 3.220 N/A LYS 124.A NZ LYS 130.A O no hydrogen 2.958 N/A GLN 128.A N ASP 126.A OD2 no hydrogen 2.648 N/A ASP 129.A N ASP 126.A O no hydrogen 3.116 N/A TYR 131.A N ASP 129.A OD2 no hydrogen 2.996 N/A GLU 134.A N LYS 123.A O no hydrogen 2.943 N/A TYR 136.A N ILE 121.A O no hydrogen 2.920 N/A TYR 136.A OH ARG 176.A O no hydrogen 3.296 N/A THR 137.A N ILE 121.A O no hydrogen 2.926 N/A LYS 138.A NZ LEU 139.A O no hydrogen 2.926 N/A LYS 138.A NZ THR 140.A OG1 no hydrogen 2.439 N/A LEU 139.A N ILE 119.A O no hydrogen 2.851 N/A VAL 141.A N ASN 117.A O no hydrogen 2.977 N/A THR 142.A N GLN 145.A OE1 no hydrogen 2.308 N/A GLN 145.A N THR 142.A O no hydrogen 2.941 N/A GLY 146.A N THR 142.A O no hydrogen 3.333 N/A VAL 150.A N VAL 165.A O no hydrogen 2.717 N/A SER 151.A N VAL 165.A O no hydrogen 2.975 N/A SER 151.A OG LEU 152.A O no hydrogen 3.271 N/A GLN 153.A N THR 163.A O no hydrogen 2.903 N/A GLN 153.A NE2 SER 151.A OG no hydrogen 2.920 N/A THR 157.A OG1 ALA 156.A O no hydrogen 2.245 N/A TYR 158.A OH ASP 201.A OD1 no hydrogen 2.846 N/A LYS 161.A NZ LEU 159.A O no hydrogen 2.919 N/A LEU 162.A N PHE 173.A O no hydrogen 2.851 N/A THR 163.A N GLN 153.A O no hydrogen 2.894 N/A VAL 164.A N LEU 171.A O no hydrogen 2.890 N/A VAL 165.A N SER 151.A O no hydrogen 2.897 N/A THR 166.A N ASN 169.A O no hydrogen 3.007 N/A THR 166.A OG1 ASN 169.A O no hydrogen 2.859 N/A THR 166.A OG1 ASN 169.A OD1 no hydrogen 2.932 N/A LYS 167.A N GLU 148.A O no hydrogen 3.145 N/A ASN 169.A N THR 166.A OG1 no hydrogen 3.270 N/A ASN 169.A ND2 GLN 145.A O no hydrogen 2.985 N/A LEU 171.A N VAL 164.A O no hydrogen 2.893 N/A LEU 172.A N PHE 182.A O no hydrogen 2.939 N/A PHE 173.A N LEU 162.A O no hydrogen 2.933 N/A ASN 174.A N LYS 179.A O no hydrogen 2.885 N/A ASN 174.A ND2 LEU 159.A O no hydrogen 3.656 N/A VAL 175.A N ASN 160.A O no hydrogen 3.052 N/A ARG 176.A NE ASN 174.A OD1 no hydrogen 3.024 N/A THR 177.A OG1 ASN 174.A O no hydrogen 2.360 N/A LYS 179.A N ASN 174.A O no hydrogen 2.947 N/A VAL 181.A N LEU 172.A O no hydrogen 2.884 N/A THR 183.A OG1 SER 184.A O no hydrogen 3.532 N/A SER 184.A N VAL 170.A O no hydrogen 2.899 N/A SER 184.A OG ASN 185.A O no hydrogen 3.056 N/A PHE 187.A N SER 168.A O no hydrogen 3.076 N/A ILE 191.A N LYS 167.A O no hydrogen 3.361 N/A THR 192.A N GLY 206.A O no hydrogen 2.644 N/A THR 192.A OG1 GLY 206.A O no hydrogen 2.386 N/A THR 192.A OG1 THR 207.A O no hydrogen 2.625 N/A THR 192.A OG1 ILE 233.A O no hydrogen 2.928 N/A THR 193.A N GLY 206.A O no hydrogen 2.990 N/A GLU 195.A N ALA 204.A O no hydrogen 2.912 N/A ALA 197.A N ILE 202.A O no hydrogen 2.974 N/A ILE 203.A N PHE 215.A O no hydrogen 2.950 N/A ALA 204.A N GLU 195.A O no hydrogen 2.870 N/A LEU 205.A N ILE 213.A O no hydrogen 2.882 N/A GLY 206.A N THR 193.A O no hydrogen 2.859 N/A THR 207.A N GLU 211.A O no hydrogen 2.945 N/A THR 207.A OG1 THR 209.A O no hydrogen 2.236 N/A THR 207.A OG1 THR 209.A OG1 no hydrogen 3.329 N/A THR 207.A OG1 GLU 211.A O no hydrogen 3.174 N/A THR 209.A OG1 ASP 189.A OD2 no hydrogen 3.098 N/A THR 209.A OG1 THR 207.A OG1 no hydrogen 3.329 N/A GLU 211.A N THR 207.A OG1 no hydrogen 3.164 N/A GLU 211.A N THR 209.A O no hydrogen 2.408 N/A VAL 212.A N ILE 226.A O no hydrogen 2.908 N/A ILE 213.A N LEU 205.A O no hydrogen 2.891 N/A MET 214.A N ARG 224.A O no hydrogen 2.897 N/A PHE 215.A N ILE 203.A O no hydrogen 2.930 N/A ASN 216.A N LYS 221.A O no hydrogen 2.876 N/A MET 217.A N ASP 201.A O no hydrogen 2.904 N/A ARG 218.A N ASN 216.A OD1 no hydrogen 3.171 N/A LYS 221.A N ASN 216.A O no hydrogen 3.031 N/A ARG 222.A NH2 GLU 211.A OE1 no hydrogen 3.287 N/A ARG 224.A N MET 214.A O no hydrogen 3.013 N/A ILE 226.A N VAL 212.A O no hydrogen 2.911 N/A ILE 228.A N GLY 210.A O no hydrogen 2.806 N/A SER 231.A OG PRO 229.A O no hydrogen 2.793 N/A SER 234.A N GLY 249.A O no hydrogen 2.716 N/A SER 234.A OG GLY 249.A O no hydrogen 2.300 N/A SER 234.A OG VAL 280.A O no hydrogen 2.975 N/A SER 235.A N GLY 249.A O no hydrogen 2.975 N/A SER 237.A N SER 247.A O no hydrogen 2.978 N/A SER 237.A OG LEU 236.A O no hydrogen 2.436 N/A SER 237.A OG ALA 283.A O no hydrogen 2.257 N/A ARG 239.A N HIS 245.A O no hydrogen 2.901 N/A THR 240.A OG1 ASN 287.A OD1 no hydrogen 2.824 N/A SER 244.A OG ASP 261.A OD2 no hydrogen 3.487 N/A HIS 245.A N SER 243.A O no hydrogen 3.033 N/A LEU 246.A N TYR 258.A O no hydrogen 2.872 N/A SER 247.A N SER 237.A O no hydrogen 2.882 N/A SER 247.A OG SER 237.A O no hydrogen 3.359 N/A VAL 248.A N ILE 256.A O no hydrogen 2.895 N/A GLY 249.A N SER 235.A O no hydrogen 2.832 N/A THR 250.A N ASP 254.A O no hydrogen 2.929 N/A THR 250.A OG1 ARG 232.A O no hydrogen 3.505 N/A SER 251.A N ARG 232.A O no hydrogen 2.806 N/A ASP 254.A N THR 250.A O no hydrogen 3.047 N/A LEU 255.A N LEU 269.A O no hydrogen 2.951 N/A ILE 256.A N VAL 248.A O no hydrogen 2.915 N/A PHE 257.A N HIS 267.A O no hydrogen 2.810 N/A TYR 258.A N LEU 246.A O no hydrogen 2.917 N/A ASP 259.A N SER 264.A O no hydrogen 2.878 N/A LEU 260.A N SER 244.A O no hydrogen 2.924 N/A ASP 261.A N ASP 259.A OD1 no hydrogen 2.621 N/A ARG 262.A NH1 ASP 316.A O no hydrogen 2.819 N/A ARG 263.A N LEU 260.A O no hydrogen 3.460 N/A SER 264.A N ASP 259.A O no hydrogen 2.954 N/A SER 264.A OG ARG 262.A O no hydrogen 2.907 N/A HIS 267.A N PHE 257.A O no hydrogen 3.142 N/A LEU 269.A N LEU 255.A O no hydrogen 2.850 N/A LYS 270.A NZ ASP 254.A OD2 no hydrogen 3.521 N/A ASN 271.A N ASP 254.A OD1 no hydrogen 3.103 N/A ARG 274.A N ASP 298.A OD2 no hydrogen 3.154 N/A SER 276.A OG GLU 275.A OE1 no hydrogen 3.403 N/A GLY 278.A N GLU 275.A O no hydrogen 2.771 N/A GLY 279.A N ARG 274.A O no hydrogen 3.228 N/A THR 281.A N SER 295.A O no hydrogen 3.200 N/A THR 281.A OG1 GLY 18.A O no hydrogen 2.824 N/A GLN 282.A N SER 295.A O no hydrogen 3.048 N/A GLN 282.A NE2 ALA 283.A O no hydrogen 3.355 N/A THR 284.A N VAL 293.A O no hydrogen 2.927 N/A LEU 286.A N ILE 291.A O no hydrogen 2.893 N/A GLY 288.A N THR 240.A OG1 no hydrogen 2.518 N/A GLN 289.A N LEU 286.A O no hydrogen 2.971 N/A ILE 292.A N TYR 304.A O no hydrogen 2.911 N/A VAL 293.A N THR 284.A O no hydrogen 2.901 N/A THR 294.A N LYS 302.A O no hydrogen 2.910 N/A SER 295.A N GLN 282.A O no hydrogen 2.889 N/A SER 295.A OG SER 16.A OG no hydrogen 3.008 N/A SER 295.A OG GLY 296.A O no hydrogen 3.251 N/A GLY 296.A N SER 300.A O no hydrogen 3.089 N/A ASN 299.A ND2 GLY 13.A O no hydrogen 2.722 N/A ASN 299.A ND2 HIS 331.A O no hydrogen 3.387 N/A LEU 301.A N ARG 328.A O no hydrogen 2.991 N/A LYS 302.A N THR 294.A O no hydrogen 2.911 N/A LYS 302.A NZ ILE 272.A O no hydrogen 3.454 N/A LYS 302.A NZ SER 300.A OG no hydrogen 2.334 N/A GLU 303.A N ARG 326.A O no hydrogen 2.890 N/A TYR 304.A N ILE 292.A O no hydrogen 2.935 N/A VAL 305.A N ARG 323.A O no hydrogen 2.943 N/A PHE 306.A N PRO 290.A O no hydrogen 2.972 N/A SER 309.A OG SER 311.A OG no hydrogen 3.349 N/A SER 309.A OG VAL 318.A O no hydrogen 2.543 N/A SER 311.A N SER 309.A OG no hydrogen 3.013 N/A SER 311.A OG SER 309.A OG no hydrogen 3.349 N/A GLY 315.A N SER 311.A OG no hydrogen 2.188 N/A ARG 323.A N VAL 305.A O no hydrogen 2.903 N/A ARG 323.A NE ASP 307.A OD2 no hydrogen 3.190 N/A ARG 323.A NH1 ASP 307.A OD1 no hydrogen 2.663 N/A ARG 323.A NH1 ASP 307.A OD2 no hydrogen 3.382 N/A TYR 324.A OH SER 327.A OG no hydrogen 2.174 N/A ARG 326.A NH1 GLU 303.A OE2 no hydrogen 3.225 N/A SER 327.A OG TYR 324.A OH no hydrogen 2.174 N/A ARG 328.A N LEU 301.A O no hydrogen 2.917 N/A ARG 328.A NE LEU 48.A O no hydrogen 3.110 N/A ARG 328.A NH2 THR 47.A O no hydrogen 3.045 N/A GLY 330.A N ASN 299.A O no hydrogen 2.924 N/A HIS 331.A NE2 SER 350.A OG no hydrogen 2.297 N/A SER 336.A N ALA 351.A O no hydrogen 2.584 N/A SER 336.A OG ILE 396.A O no hydrogen 3.254 N/A TYR 337.A N ALA 351.A O no hydrogen 2.910 N/A ALA 339.A N LEU 349.A O no hydrogen 2.912 N/A ALA 341.A N PHE 347.A O no hydrogen 2.928 N/A SER 345.A OG GLN 344.A O no hydrogen 2.725 N/A SER 345.A OG SER 345.A O no hydrogen 2.401 N/A HIS 346.A N ASP 342.A OD1 no hydrogen 3.240 N/A MET 348.A N PHE 360.A O no hydrogen 2.935 N/A LEU 349.A N ALA 339.A O no hydrogen 2.848 N/A SER 350.A N TRP 358.A O no hydrogen 2.893 N/A SER 350.A OG HIS 331.A NE2 no hydrogen 2.297 N/A ALA 351.A N TYR 337.A O no hydrogen 2.894 N/A SER 352.A N SER 356.A O no hydrogen 3.317 N/A SER 352.A OG GLN 333.A O no hydrogen 3.203 N/A SER 352.A OG PRO 334.A O no hydrogen 2.791 N/A SER 352.A OG ASP 354.A OD1 no hydrogen 3.238 N/A LYS 353.A NZ GLU 395.A OE1 no hydrogen 3.392 N/A ASP 354.A N SER 352.A OG no hydrogen 3.297 N/A SER 356.A OG ASP 354.A OD1 no hydrogen 2.721 N/A SER 356.A OG ASP 354.A OD2 no hydrogen 2.612 N/A TRP 358.A N SER 350.A O no hydrogen 2.940 N/A SER 359.A N GLN 369.A O no hydrogen 2.864 N/A SER 359.A OG GLN 369.A O no hydrogen 2.943 N/A PHE 360.A N MET 348.A O no hydrogen 2.853 N/A SER 361.A N GLN 367.A O no hydrogen 3.339 N/A SER 361.A OG GLN 367.A OE1 no hydrogen 3.146 N/A LEU 362.A N HIS 346.A O no hydrogen 2.947 N/A ALA 366.A N LYS 364.A O no hydrogen 2.434 N/A SER 368.A OG GLY 329.A O no hydrogen 2.341 N/A GLN 369.A N SER 359.A O no hydrogen 2.951 N/A MET 371.A N LEU 357.A O no hydrogen 2.965 N/A GLN 373.A NE2 ARG 355.A O no hydrogen 3.331 N/A GLY 381.A N LYS 378.A O no hydrogen 2.760 N/A LYS 392.A NZ GLU 370.A OE2 no hydrogen 2.872 N/A PHE 393.A N GLN 373.A OE1 no hydrogen 3.305 N/A VAL 397.A N ALA 415.A O no hydrogen 2.885 N/A ALA 398.A N ALA 415.A O no hydrogen 2.981 N/A ALA 400.A N ILE 413.A O no hydrogen 2.966 N/A GLU 402.A N ASN 411.A O no hydrogen 3.066 N/A ASN 403.A ND2 ALA 341.A O no hydrogen 2.533 N/A TRP 409.A NE1 GLY 454.A O no hydrogen 3.202 N/A GLU 410.A N GLU 410.A OE1 no hydrogen 2.491 N/A ASN 411.A N TRP 425.A O no hydrogen 3.273 N/A ASN 411.A ND2 GLU 402.A O no hydrogen 2.280 N/A ILE 412.A N TRP 425.A O no hydrogen 2.996 N/A ILE 413.A N ALA 400.A O no hydrogen 2.909 N/A THR 414.A N ARG 423.A O no hydrogen 2.975 N/A ALA 415.A N ALA 398.A O no hydrogen 2.853 N/A LYS 417.A N GLU 395.A O no hydrogen 2.826 N/A ALA 422.A N PHE 437.A O no hydrogen 2.886 N/A ARG 423.A N THR 414.A O no hydrogen 2.923 N/A THR 424.A N TRP 435.A O no hydrogen 3.030 N/A THR 424.A OG1 TRP 435.A O no hydrogen 2.348 N/A TRP 425.A N ILE 412.A O no hydrogen 2.834 N/A TRP 425.A NE1 THR 414.A OG1 no hydrogen 2.525 N/A ASP 426.A N ARG 431.A O no hydrogen 2.891 N/A LYS 430.A N MET 427.A O no hydrogen 2.574 N/A ARG 431.A N ASP 426.A O no hydrogen 3.014 N/A ARG 431.A NE HIS 376.A NE2 no hydrogen 2.928 N/A GLY 433.A N THR 424.A O no hydrogen 2.878 N/A TRP 435.A N THR 424.A OG1 no hydrogen 2.966 N/A TRP 435.A NE1 GLN 472.A O no hydrogen 3.010 N/A PHE 437.A N ALA 422.A O no hydrogen 2.867 N/A THR 439.A OG1 GLY 443.A O no hydrogen 3.221 N/A THR 440.A N ASP 438.A OD1 no hydrogen 2.486 N/A THR 440.A OG1 THR 439.A O no hydrogen 2.537 N/A ASP 441.A N THR 439.A OG1 no hydrogen 3.351 N/A VAL 445.A N GLU 419.A O no hydrogen 3.265 N/A SER 447.A N GLY 460.A O no hydrogen 3.001 N/A SER 447.A OG VAL 487.A O no hydrogen 3.483 N/A ALA 449.A N PHE 458.A O no hydrogen 2.998 N/A SER 451.A N PHE 456.A O no hydrogen 2.905 N/A SER 451.A OG PHE 456.A O no hydrogen 3.538 N/A CYS 453.A SG SER 451.A OG no hydrogen 3.291 N/A GLY 454.A N SER 451.A O no hydrogen 2.768 N/A PHE 456.A N SER 451.A OG no hydrogen 3.308 N/A GLY 457.A N TYR 469.A O no hydrogen 2.915 N/A PHE 458.A N ALA 449.A O no hydrogen 2.883 N/A ILE 459.A N THR 467.A O no hydrogen 2.894 N/A GLY 460.A N SER 447.A O no hydrogen 2.857 N/A SER 461.A N SER 465.A O no hydrogen 2.913 N/A SER 461.A OG SER 465.A O no hydrogen 3.243 N/A ASN 463.A N SER 461.A OG no hydrogen 2.853 N/A ASN 463.A ND2 ASP 441.A O no hydrogen 2.965 N/A SER 465.A N SER 461.A OG no hydrogen 2.755 N/A SER 465.A OG ASP 441.A OD2 no hydrogen 2.263 N/A ILE 466.A N TYR 480.A O no hydrogen 2.958 N/A THR 467.A N ILE 459.A O no hydrogen 2.905 N/A THR 467.A OG1 ILE 459.A O no hydrogen 3.408 N/A ILE 468.A N LYS 478.A O no hydrogen 2.886 N/A TYR 469.A N GLY 457.A O no hydrogen 2.891 N/A TYR 469.A OH ASP 438.A O no hydrogen 2.828 N/A ASN 470.A N ILE 475.A O no hydrogen 2.899 N/A MET 471.A N ASN 455.A O no hydrogen 2.902 N/A SER 473.A N ASN 470.A OD1 no hydrogen 3.451 N/A GLY 474.A N MET 471.A O no hydrogen 3.246 N/A ILE 475.A N ASN 470.A O no hydrogen 3.008 N/A ARG 477.A N ILE 468.A O no hydrogen 2.925 N/A LYS 478.A N ILE 468.A O no hydrogen 3.011 N/A LYS 479.A NZ THR 439.A O no hydrogen 3.075 N/A LYS 479.A NZ THR 440.A OG1 no hydrogen 2.824 N/A LYS 479.A NZ SER 465.A OG no hydrogen 3.064 N/A TYR 480.A N ILE 466.A O no hydrogen 2.882 N/A HIS 483.A NE2 SER 501.A OG no hydrogen 2.831 N/A VAL 487.A N SER 461.A O no hydrogen 3.068 N/A THR 488.A N CYS 502.A O no hydrogen 2.813 N/A THR 488.A OG1 THR 529.A O no hydrogen 2.582 N/A SER 491.A N VAL 500.A O no hydrogen 2.960 N/A ASP 493.A N LYS 498.A O no hydrogen 2.941 N/A ASN 496.A N ASP 493.A O no hydrogen 3.176 N/A MET 499.A N TYR 511.A O no hydrogen 2.987 N/A VAL 500.A N SER 491.A O no hydrogen 2.885 N/A SER 501.A N GLY 509.A O no hydrogen 3.328 N/A SER 501.A OG HIS 483.A NE2 no hydrogen 2.831 N/A SER 501.A OG GLY 509.A O no hydrogen 3.410 N/A SER 501.A OG TYR 511.A OH no hydrogen 2.485 N/A CYS 502.A N GLY 489.A O no hydrogen 2.905 N/A CYS 502.A SG GLY 489.A O no hydrogen 3.558 N/A LEU 504.A N ALA 486.A O no hydrogen 2.932 N/A GLY 506.A N GLY 503.A O no hydrogen 3.488 N/A VAL 508.A N LEU 522.A O no hydrogen 2.863 N/A GLY 509.A N SER 501.A O no hydrogen 2.995 N/A PHE 510.A N GLY 520.A O no hydrogen 2.883 N/A TYR 511.A N MET 499.A O no hydrogen 2.916 N/A TYR 511.A OH SER 501.A OG no hydrogen 2.485 N/A ASP 512.A N THR 517.A O no hydrogen 3.166 N/A PHE 513.A N ARG 497.A O no hydrogen 2.637 N/A ASN 514.A N ASP 512.A OD1 no hydrogen 2.997 N/A ASN 514.A ND2 ASN 496.A O no hydrogen 2.320 N/A LYS 515.A N ASP 512.A OD2 no hydrogen 3.142 N/A LEU 519.A N PHE 510.A O no hydrogen 2.727 N/A GLY 520.A N PHE 510.A O no hydrogen 3.013 N/A LEU 522.A N VAL 508.A O no hydrogen 2.919 N/A LYS 523.A NZ LEU 524.A O no hydrogen 2.965 N/A LEU 524.A N GLY 506.A O no hydrogen 2.921 N/A THR 529.A N ALA 543.A O no hydrogen 2.594 N/A THR 529.A OG1 ALA 543.A O no hydrogen 2.260 N/A ALA 530.A N ALA 543.A O no hydrogen 3.159 N/A VAL 532.A N ALA 541.A O no hydrogen 2.972 N/A TYR 533.A OH ASP 493.A OD1 no hydrogen 3.424 N/A HIS 534.A N LEU 539.A O no hydrogen 2.853 N/A ARG 535.A NH1 GLN 452.A OE1 no hydrogen 2.805 N/A ARG 535.A NH2 MET 450.A O no hydrogen 3.267 N/A LEU 539.A N HIS 534.A O no hydrogen 3.057 N/A PHE 540.A N ILE 552.A O no hydrogen 2.923 N/A ALA 541.A N VAL 532.A O no hydrogen 2.869 N/A LEU 542.A N VAL 550.A O no hydrogen 2.867 N/A ALA 543.A N ALA 530.A O no hydrogen 2.881 N/A LEU 544.A N SER 548.A O no hydrogen 2.998 N/A ILE 549.A N LEU 563.A O no hydrogen 2.966 N/A VAL 550.A N LEU 542.A O no hydrogen 2.914 N/A VAL 551.A N ARG 561.A O no hydrogen 2.863 N/A ILE 552.A N PHE 540.A O no hydrogen 2.931 N/A ALA 554.A N ASP 538.A O no hydrogen 2.963 N/A GLN 557.A N ASP 553.A O no hydrogen 3.141 N/A VAL 560.A N VAL 551.A O no hydrogen 2.994 N/A ARG 561.A N VAL 551.A O no hydrogen 3.083 N/A ARG 561.A NE VAL 560.A O no hydrogen 3.314 N/A ARG 561.A NH1 LEU 596.A O no hydrogen 2.760 N/A ARG 561.A NH1 PRO 597.A O no hydrogen 2.259 N/A LEU 563.A N ILE 549.A O no hydrogen 2.875 N/A HIS 566.A NE2 SER 584.A OG no hydrogen 2.367 N/A ARG 569.A N ASN 568.A OD1 no hydrogen 2.529 N/A THR 571.A N ALA 585.A O no hydrogen 2.715 N/A ALA 572.A N ALA 585.A O no hydrogen 3.029 N/A ASP 574.A N VAL 583.A O no hydrogen 2.874 N/A SER 576.A N TRP 581.A O no hydrogen 2.912 N/A GLU 578.A N SER 576.A OG no hydrogen 3.314 N/A GLY 579.A N SER 576.A O no hydrogen 2.553 N/A ILE 582.A N TRP 594.A O no hydrogen 2.999 N/A VAL 583.A N ASP 574.A O no hydrogen 2.891 N/A SER 584.A N ARG 592.A O no hydrogen 2.872 N/A SER 584.A OG HIS 566.A NE2 no hydrogen 2.367 N/A ALA 585.A N ALA 572.A O no hydrogen 2.808 N/A SER 586.A N THR 590.A O no hydrogen 2.929 N/A SER 586.A OG HIS 566.A ND1 no hydrogen 2.545 N/A SER 586.A OG ASP 588.A OD1 no hydrogen 2.528 N/A LEU 587.A N ARG 569.A O no hydrogen 2.861 N/A THR 590.A N SER 586.A O no hydrogen 3.053 N/A THR 590.A OG1 ASP 588.A O no hydrogen 2.725 N/A ILE 591.A N ILE 605.A O no hydrogen 2.938 N/A ARG 592.A N SER 584.A O no hydrogen 2.890 N/A ARG 592.A NH2 GLY 565.A O no hydrogen 2.853 N/A ARG 592.A NH2 ASP 588.A OD2 no hydrogen 3.348 N/A THR 593.A N ASP 603.A O no hydrogen 2.851 N/A TRP 594.A N ILE 582.A O no hydrogen 2.857 N/A TRP 594.A NE1 SER 584.A OG no hydrogen 3.016 N/A ASP 595.A N GLY 600.A O no hydrogen 2.899 N/A LEU 596.A N ARG 580.A O no hydrogen 2.949 N/A THR 598.A N ASP 595.A OD1 no hydrogen 3.057 N/A GLY 600.A N ASP 595.A O no hydrogen 3.026 N/A CYS 601.A SG THR 593.A O no hydrogen 3.907 N/A CYS 601.A SG ASP 603.A O no hydrogen 3.115 N/A CYS 601.A SG ASP 651.A OD1 no hydrogen 3.479 N/A ILE 602.A N THR 593.A O no hydrogen 2.905 N/A ASP 603.A N THR 593.A O no hydrogen 3.086 N/A ILE 605.A N ILE 591.A O no hydrogen 2.858 N/A VAL 607.A N SER 589.A O no hydrogen 2.933 N/A ASN 609.A N ASP 608.A OD1 no hydrogen 2.298 N/A THR 612.A N THR 626.A O no hydrogen 2.465 N/A ASN 613.A N THR 626.A O no hydrogen 3.002 N/A LYS 615.A N ALA 624.A O no hydrogen 2.893 N/A LYS 615.A NZ TYR 337.A OH no hydrogen 3.066 N/A LYS 615.A NZ ILE 338.A O no hydrogen 3.399 N/A SER 617.A N LEU 622.A O no hydrogen 2.925 N/A SER 617.A OG ASN 619.A O no hydrogen 3.315 N/A ASP 621.A N ASN 619.A O no hydrogen 2.544 N/A LEU 623.A N TRP 636.A O no hydrogen 2.955 N/A ALA 624.A N LYS 615.A O no hydrogen 2.883 N/A THR 625.A N CYS 634.A O no hydrogen 2.906 N/A THR 626.A N ASN 613.A O no hydrogen 2.889 N/A CYS 634.A SG HIS 627.A NE2 no hydrogen 3.100 N/A ILE 635.A N ARG 10.A O no hydrogen 3.118 N/A TRP 636.A N LEU 623.A O no hydrogen 2.819 N/A TRP 636.A NE1 THR 625.A OG1 no hydrogen 3.220 N/A THR 637.A N SER 7.A O no hydrogen 2.847 N/A THR 637.A OG1 SER 7.A O no hydrogen 3.079 N/A ASN 638.A ND2 GLY 620.A O no hydrogen 2.253 N/A ARG 639.A N ILE 5.A O no hydrogen 2.988 N/A GLN 641.A N ASN 638.A O no hydrogen 2.617 N/A PHE 642.A N ASN 638.A O no hydrogen 3.126 N/A THR 647.A N ASP 660.A O no hydrogen 2.598 N/A THR 647.A OG1 THR 647.A O no hydrogen 2.381 N/A THR 647.A OG1 ASP 660.A O no hydrogen 3.279 N/A ILE 650.A N CYS 601.A O no hydrogen 3.412 N/A GLU 654.A N ILE 650.A O no hydrogen 2.946 N/A PHE 655.A N ASP 651.A O no hydrogen 3.007 N/A ASP 660.A N LEU 656.A O no hydrogen 2.875 N/A PHE 661.A N ASN 657.A O no hydrogen 2.954 N/A ASN 662.A N ILE 659.A O no hydrogen 2.595 N/A THR 663.A N ASP 658.A O no hydrogen 2.956 N/A THR 663.A OG1 PHE 661.A O no hydrogen 3.245 N/A THR 665.A OG1 SER 666.A O no hydrogen 3.333 N/A SER 666.A OG LEU 667.A O no hydrogen 3.244 N/A GLN 669.A NE2 ASP 671.A O no hydrogen 2.297 N/A LYS 672.A N ASP 671.A OD1 no hydrogen 2.451 N/A LEU 674.A N ASP 671.A O no hydrogen 3.154 N/A THR 676.A OG1 ASN 814.A O no hydrogen 3.183 N/A ARG 682.A NH1 SER 678.A O no hydrogen 3.465 N/A THR 687.A N SER 683.A O no hydrogen 2.971 N/A THR 687.A OG1 SER 683.A O no hydrogen 3.236 N/A LEU 688.A N LYS 684.A O no hydrogen 2.873 N/A LEU 689.A N MET 685.A O no hydrogen 2.958 N/A HIS 690.A N ASN 686.A O no hydrogen 2.936 N/A LEU 691.A N LEU 688.A O no hydrogen 3.306 N/A VAL 693.A N ASP 692.A OD1 no hydrogen 2.534 N/A ILE 694.A N HIS 690.A O no hydrogen 3.416 N/A ARG 695.A N LEU 691.A O no hydrogen 3.087 N/A ARG 695.A NH1 ASP 785.A OD2 no hydrogen 3.346 N/A LYS 696.A N ASP 692.A O no hydrogen 2.980 N/A ARG 697.A N VAL 693.A O no hydrogen 2.927 N/A SER 698.A N ARG 695.A O no hydrogen 2.930 N/A SER 698.A OG ILE 694.A O no hydrogen 2.343 N/A SER 698.A OG ARG 695.A O no hydrogen 3.078 N/A LYS 699.A N ARG 695.A O no hydrogen 2.984 N/A VAL 714.A N SER 710.A O no hydrogen 3.002 N/A ASP 716.A N GLY 711.A O no hydrogen 2.842 N/A ASP 716.A N VAL 714.A O no hydrogen 2.909 N/A GLU 717.A N GLU 717.A OE1 no hydrogen 2.963 N/A SER 719.A N ASP 716.A OD1 no hydrogen 3.042 N/A VAL 720.A N ASP 716.A O no hydrogen 3.033 N/A ARG 721.A N GLU 717.A O no hydrogen 2.830 N/A GLU 722.A N ALA 718.A O no hydrogen 3.010 N/A GLN 729.A N HIS 725.A O no hydrogen 2.914 N/A GLU 730.A N ARG 726.A O no hydrogen 2.897 N/A ALA 731.A N ARG 727.A O no hydrogen 2.928 N/A GLN 732.A N ASP 728.A O no hydrogen 2.908 N/A LYS 733.A N GLN 729.A O no hydrogen 2.881 N/A LYS 734.A N GLU 730.A O no hydrogen 2.958 N/A LEU 735.A N ALA 731.A O no hydrogen 2.909 N/A ASP 736.A N GLN 732.A O no hydrogen 2.895 N/A ALA 737.A N LYS 733.A O no hydrogen 2.980 N/A GLU 738.A N LYS 734.A O no hydrogen 2.948 N/A GLU 739.A N LEU 735.A O no hydrogen 2.917 N/A GLN 740.A N ASP 736.A O no hydrogen 3.045 N/A GLN 740.A N GLN 740.A OE1 no hydrogen 2.995 N/A MET 741.A N ALA 737.A O no hydrogen 2.920 N/A ASN 742.A N GLU 738.A O no hydrogen 2.958 N/A LYS 743.A N GLU 739.A O no hydrogen 2.913 N/A LYS 743.A N GLN 740.A O no hydrogen 3.014 N/A PHE 744.A N GLN 740.A O no hydrogen 3.047 N/A THR 747.A OG1 THR 747.A O no hydrogen 2.509 N/A THR 757.A N SER 754.A OG no hydrogen 3.304 N/A THR 757.A OG1 GLU 799.A OE2 no hydrogen 3.493 N/A LYS 758.A N SER 754.A O no hydrogen 2.925 N/A GLN 759.A N HIS 755.A O no hydrogen 2.891 N/A LEU 760.A N PHE 756.A O no hydrogen 2.915 N/A ARG 761.A N THR 757.A O no hydrogen 2.915 N/A ARG 761.A NE GLU 753.A OE2 no hydrogen 2.746 N/A ARG 761.A NH1 GLU 753.A OE1 no hydrogen 3.271 N/A ARG 761.A NH1 GLU 753.A OE2 no hydrogen 2.871 N/A GLU 762.A N LYS 758.A O no hydrogen 3.015 N/A GLU 762.A N GLU 762.A OE1 no hydrogen 2.686 N/A GLY 763.A N GLN 759.A O no hydrogen 2.934 N/A SER 764.A N LEU 760.A O no hydrogen 2.893 N/A SER 764.A OG LEU 760.A O no hydrogen 3.378 N/A SER 764.A OG ARG 761.A O no hydrogen 2.173 N/A GLN 765.A N ARG 761.A O no hydrogen 2.934 N/A GLN 765.A NE2 ARG 761.A O no hydrogen 3.623 N/A SER 766.A N GLU 762.A O no hydrogen 2.891 N/A SER 766.A OG GLU 762.A O no hydrogen 2.792 N/A SER 766.A OG GLY 763.A O no hydrogen 3.330 N/A SER 766.A OG ASP 768.A O no hydrogen 3.514 N/A LYS 767.A N SER 764.A O no hydrogen 3.109 N/A ASP 768.A N GLY 763.A O no hydrogen 3.240 N/A SER 770.A N ASP 768.A OD2 no hydrogen 3.425 N/A SER 770.A OG ASP 768.A OD2 no hydrogen 2.727 N/A LEU 773.A N TYR 769.A O no hydrogen 2.927 N/A ALA 774.A N SER 770.A O no hydrogen 2.952 N/A THR 775.A N SER 771.A O no hydrogen 2.952 N/A LEU 776.A N LEU 772.A O no hydrogen 2.872 N/A ILE 777.A N LEU 773.A O no hydrogen 2.955 N/A ASN 778.A N ALA 774.A O no hydrogen 2.952 N/A PHE 779.A N LEU 776.A O no hydrogen 3.307 N/A VAL 784.A N SER 780.A O no hydrogen 2.911 N/A ASP 785.A N PRO 781.A O no hydrogen 3.046 N/A LEU 786.A N ALA 782.A O no hydrogen 2.968 N/A GLU 787.A N ALA 783.A O no hydrogen 2.944 N/A GLU 787.A N GLU 787.A OE1 no hydrogen 3.000 N/A ILE 788.A N VAL 784.A O no hydrogen 3.005 N/A ARG 789.A N ASP 785.A O no hydrogen 2.943 N/A ARG 789.A NH2 ASP 785.A OD2 no hydrogen 3.041 N/A SER 790.A N LEU 786.A O no hydrogen 2.863 N/A SER 790.A OG LEU 786.A O no hydrogen 2.662 N/A SER 790.A OG GLU 787.A O no hydrogen 3.305 N/A ASN 792.A N GLU 799.A OE1 no hydrogen 2.409 N/A SER 793.A OG SER 793.A O no hydrogen 2.534 N/A VAL 801.A N PHE 797.A O no hydrogen 2.944 N/A TRP 802.A N ASP 798.A O no hydrogen 2.902 N/A PHE 803.A N GLU 799.A O no hydrogen 2.931 N/A ILE 804.A N ILE 800.A O no hydrogen 2.914 N/A ASP 805.A N VAL 801.A O no hydrogen 2.940 N/A ALA 806.A N TRP 802.A O no hydrogen 2.888 N/A LEU 807.A N PHE 803.A O no hydrogen 2.950 N/A THR 808.A N ILE 804.A O no hydrogen 2.924 N/A THR 808.A OG1 ILE 804.A O no hydrogen 3.045 N/A GLN 809.A N ASP 805.A O no hydrogen 2.872 N/A GLY 810.A N ALA 806.A O no hydrogen 2.936 N/A LEU 811.A N LEU 807.A O no hydrogen 2.946 N/A LYS 812.A N THR 808.A O no hydrogen 2.972 N/A SER 813.A N GLN 809.A O no hydrogen 2.902 N/A SER 813.A OG GLY 810.A O no hydrogen 2.165 N/A ASN 814.A N GLY 810.A O no hydrogen 3.008 N/A ASN 814.A N LEU 811.A O no hydrogen 3.233 N/A ASN 816.A ND2 TYR 820.A OH no hydrogen 3.306 N/A PHE 817.A N THR 676.A O no hydrogen 3.209 N/A TYR 820.A N ASN 816.A O no hydrogen 2.929 N/A GLU 821.A N PHE 817.A O no hydrogen 3.039 N/A THR 822.A N GLU 818.A O no hydrogen 2.917 N/A PHE 823.A N LEU 819.A O no hydrogen 2.849 N/A MET 824.A N TYR 820.A O no hydrogen 3.001 N/A SER 825.A N GLU 821.A O no hydrogen 2.934 N/A LEU 826.A N THR 822.A O no hydrogen 2.878 N/A LEU 827.A N PHE 823.A O no hydrogen 2.930 N/A PHE 828.A N MET 824.A O no hydrogen 2.983 N/A LYS 829.A N SER 825.A O no hydrogen 2.854 N/A LYS 829.A NZ LEU 689.A O no hydrogen 3.116 N/A LYS 829.A NZ ASP 692.A OD2 no hydrogen 3.310 N/A ALA 830.A N LEU 826.A O no hydrogen 2.923 N/A HIS 831.A N LEU 827.A O no hydrogen 2.869 N/A VAL 834.A N ASP 833.A OD1 no hydrogen 2.245 N/A ILE 835.A N HIS 831.A O no hydrogen 3.377 N/A HIS 836.A N GLY 832.A O no hydrogen 2.891 N/A ALA 837.A N ASP 833.A O no hydrogen 2.854 N/A ASN 838.A N VAL 834.A O no hydrogen 2.912 N/A ASN 839.A N HIS 836.A O no hydrogen 3.216 N/A LYS 840.A N ASN 839.A OD1 no hydrogen 2.442 N/A ASN 841.A N ASN 838.A O no hydrogen 3.335 N/A ALA 845.A N ASN 841.A O no hydrogen 2.946 N/A SER 846.A N GLN 842.A O no hydrogen 2.907 N/A SER 846.A OG GLN 842.A O no hydrogen 3.111 N/A SER 846.A OG GLN 842.A OE1 no hydrogen 2.712 N/A ALA 847.A N ASP 843.A O no hydrogen 2.963 N/A LEU 848.A N ILE 844.A O no hydrogen 2.901 N/A GLN 849.A N ALA 845.A O no hydrogen 2.871 N/A ASN 850.A N SER 846.A O no hydrogen 2.969 N/A TRP 851.A N ALA 847.A O no hydrogen 3.024 N/A GLU 852.A N LEU 848.A O no hydrogen 2.874 N/A ASP 853.A N GLN 849.A O no hydrogen 2.898 N/A VAL 854.A N ASN 850.A O no hydrogen 3.055 N/A HIS 855.A N TRP 851.A O no hydrogen 3.000 N/A LYS 856.A N GLU 852.A O no hydrogen 2.907 N/A LYS 857.A N ASP 853.A O no hydrogen 3.033 N/A GLU 858.A N VAL 854.A O no hydrogen 3.020 N/A GLU 858.A N HIS 855.A O no hydrogen 2.798 N/A LEU 861.A N GLU 858.A O no hydrogen 3.206 N/A ASP 863.A N ASP 859.A O no hydrogen 3.268 N/A LEU 864.A N ARG 860.A O no hydrogen 2.946 N/A VAL 865.A N LEU 861.A O no hydrogen 2.971 N/A LYS 866.A N ASP 862.A O no hydrogen 3.057 N/A PHE 867.A N ASP 863.A O no hydrogen 3.022 N/A CYS 868.A N LEU 864.A O no hydrogen 2.950 N/A CYS 868.A SG LEU 864.A O no hydrogen 3.508 N/A MET 869.A N VAL 865.A O no hydrogen 2.988 N/A GLY 870.A N LYS 866.A O no hydrogen 2.972 N/A VAL 871.A N PHE 867.A O no hydrogen 2.993 N/A ALA 872.A N CYS 868.A O no hydrogen 2.908 N/A ALA 873.A N MET 869.A O no hydrogen 3.008 N/A PHE 874.A N GLY 870.A O no hydrogen 3.010 N/A VAL 875.A N VAL 871.A O no hydrogen 2.912 N/A THR 876.A N ALA 872.A O no hydrogen 2.982 N/A THR 877.A N ALA 873.A O no hydrogen 2.995 N/A ALA 878.A N PHE 874.A O no hydrogen 2.942 N/A