Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5k3s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG PHE 6.A O no hydrogen 3.515 N/A SER 4.A OG GLU 20.A OE1 no hydrogen 2.915 N/A SER 4.A OG GLU 20.A OE2 no hydrogen 3.077 N/A PHE 6.A N SER 4.A OG no hydrogen 3.059 N/A ALA 7.A N GLN 10.A OE1 no hydrogen 3.240 N/A GLN 10.A N ALA 7.A O no hydrogen 2.937 N/A ARG 12.A N ALA 178.A O no hydrogen 3.028 N/A ARG 12.A NE.B GLN 10.A O no hydrogen 2.883 N/A ARG 12.A NH1.A SER 4.A OG no hydrogen 3.177 N/A ARG 12.A NH1.A GLU 20.A OE2 no hydrogen 3.395 N/A ARG 12.A NH1.B GLN 10.A O no hydrogen 2.649 N/A LYS 13.A NZ GLU 40.A OE1 no hydrogen 2.967 N/A ALA 15.A N GLN 174.A O no hydrogen 2.964 N/A ILE 17.A N LYS 13.A O no hydrogen 3.073 N/A LEU 18.A N GLY 14.A O no hydrogen 2.881 N/A VAL 19.A N ALA 15.A O no hydrogen 3.138 N/A GLU 20.A N ASP 16.A O no hydrogen 3.068 N/A ALA 21.A N ILE 17.A O no hydrogen 2.841 N/A LEU 22.A N LEU 18.A O no hydrogen 3.130 N/A GLU 23.A N VAL 19.A O no hydrogen 2.957 N/A ARG 24.A N GLU 20.A O no hydrogen 2.945 N/A ARG 24.A NE GLU 20.A OE2 no hydrogen 3.319 N/A ARG 24.A NH2 GLU 20.A OE2 no hydrogen 3.100 N/A GLN 25.A N LEU 22.A O no hydrogen 3.029 N/A GLY 26.A N GLU 23.A O no hydrogen 3.218 N/A VAL 27.A N LEU 22.A O no hydrogen 3.112 N/A VAL 30.A N ARG 52.A O no hydrogen 2.897 N/A PHE 31.A N ILE 78.A O no hydrogen 2.923 N/A ALA 32.A N ASN 53.A OD1 no hydrogen 2.795 N/A TYR 33.A N ILE 80.A O no hydrogen 2.957 N/A ALA 37.A N THR 82.A OG1 no hydrogen 3.221 N/A SER 38.A N GLY 35.A O no hydrogen 2.937 N/A SER 38.A OG GLY 35.A O no hydrogen 3.277 N/A HIS 42.A N SER 38.A O no hydrogen 3.175 N/A GLN 43.A N MET 39.A O no hydrogen 2.791 N/A ALA 44.A N GLU 40.A O no hydrogen 2.999 N/A LEU 45.A N ILE 41.A O no hydrogen 2.900 N/A THR 46.A N HIS 42.A O no hydrogen 3.339 N/A THR 46.A OG1 GLN 43.A O no hydrogen 2.573 N/A ARG 47.A N ALA 44.A O no hydrogen 3.164 N/A ARG 47.A NH1 ASP 16.A OD1 no hydrogen 2.891 N/A SER 48.A N LEU 45.A O no hydrogen 3.143 N/A SER 48.A OG GLU 23.A OE2 no hydrogen 2.546 N/A SER 50.A N SER 48.A OG no hydrogen 3.397 N/A SER 50.A OG GLU 23.A OE2 no hydrogen 3.421 N/A ILE 51.A N SER 48.A OG no hydrogen 3.212 N/A ARG 52.A N GLU 28.A O no hydrogen 2.920 N/A ARG 52.A NH2 GLU 468.A OE1 no hydrogen 2.866 N/A ASN 53.A ND2 ALA 32.A O no hydrogen 3.537 N/A VAL 54.A N VAL 30.A O no hydrogen 2.921 N/A ARG 57.A N GLU 461.A OE1 no hydrogen 3.344 N/A ARG 57.A N GLU 461.A OE2 no hydrogen 3.386 N/A ARG 57.A NH1 LEU 55.A O no hydrogen 2.843 N/A GLU 59.A N GLU 59.A OE1 no hydrogen 2.805 N/A GLN 60.A N HIS 58.A ND1 no hydrogen 2.973 N/A GLY 62.A N HIS 58.A O no hydrogen 2.871 N/A VAL 63.A N GLU 59.A O no hydrogen 2.842 N/A PHE 64.A N GLN 60.A O no hydrogen 3.059 N/A ALA 65.A N GLY 61.A O no hydrogen 3.074 N/A ALA 66.A N GLY 62.A O no hydrogen 3.212 N/A GLU 67.A N VAL 63.A O no hydrogen 3.029 N/A GLY 68.A N PHE 64.A O no hydrogen 3.070 N/A TYR 69.A N ALA 65.A O no hydrogen 2.919 N/A ALA 70.A N ALA 66.A O no hydrogen 2.970 N/A ARG 71.A N GLU 67.A O no hydrogen 2.586 N/A ARG 71.A NE GLU 67.A OE1 no hydrogen 3.335 N/A ARG 71.A NH2 GLU 67.A OE1 no hydrogen 2.968 N/A ARG 71.A NH2 ASP 100.A OD2 no hydrogen 2.860 N/A SER 72.A N GLY 68.A O no hydrogen 3.146 N/A SER 72.A OG GLY 68.A O no hydrogen 2.657 N/A SER 73.A N ALA 70.A O no hydrogen 3.252 N/A SER 73.A OG TYR 69.A O no hydrogen 2.491 N/A SER 73.A OG ALA 70.A O no hydrogen 3.467 N/A GLY 74.A N ALA 70.A O no hydrogen 2.919 N/A LYS 75.A N SER 73.A OG no hydrogen 3.064 N/A GLY 77.A N PRO 103.A O no hydrogen 3.138 N/A CYS 79.A N VAL 105.A O no hydrogen 3.260 N/A ILE 80.A N PHE 31.A O no hydrogen 2.968 N/A ALA 81.A N ILE 107.A O no hydrogen 2.941 N/A SER 83.A OG GLN 122.A O no hydrogen 2.840 N/A GLY 86.A N SER 83.A O no hydrogen 3.256 N/A THR 88.A N GLY 84.A O no hydrogen 2.985 N/A THR 88.A OG1 GLY 84.A O no hydrogen 3.384 N/A THR 88.A OG1 PRO 85.A O no hydrogen 3.090 N/A ASN 89.A N PRO 85.A O no hydrogen 3.284 N/A ASN 89.A ND2 GLU 59.A OE1 no hydrogen 3.093 N/A LEU 90.A N ALA 87.A O no hydrogen 3.013 N/A LEU 94.A N LEU 90.A O no hydrogen 3.032 N/A ALA 95.A N VAL 91.A O no hydrogen 3.001 N/A ASP 96.A N SER 92.A O no hydrogen 2.904 N/A ALA 97.A N GLY 93.A O no hydrogen 2.901 N/A LEU 98.A N LEU 94.A O no hydrogen 3.080 N/A LEU 99.A N ALA 95.A O no hydrogen 3.184 N/A ASP 100.A N ASP 96.A O no hydrogen 3.176 N/A SER 101.A N LEU 98.A O no hydrogen 3.390 N/A VAL 102.A N ALA 97.A O no hydrogen 2.709 N/A LEU 104.A N GLY 163.A O no hydrogen 3.284 N/A VAL 105.A N GLY 77.A O no hydrogen 2.759 N/A ALA 106.A N VAL 165.A O no hydrogen 2.817 N/A ILE 107.A N CYS 79.A O no hydrogen 2.962 N/A THR 108.A N VAL 167.A O no hydrogen 3.036 N/A THR 108.A OG1 ASP 168.A OD1 no hydrogen 2.639 N/A GLY 109.A N ALA 81.A O no hydrogen 2.934 N/A GLN 110.A NE2 THR 124.A O no hydrogen 3.201 N/A GLN 110.A NE2 ASP 168.A OD2 no hydrogen 2.801 N/A VAL 111.A N GLN 110.A OE1 no hydrogen 2.817 N/A ARG 113.A N ASP 172.A OD1 no hydrogen 3.250 N/A ARG 113.A NE ASP 172.A OD2 no hydrogen 2.928 N/A ARG 113.A NH1 MET 141.A O no hydrogen 2.786 N/A MET 115.A N PRO 112.A O no hydrogen 2.857 N/A ILE 116.A N ARG 113.A O no hydrogen 3.321 N/A GLY 117.A N GLU 123.A OE1 no hydrogen 2.486 N/A THR 118.A OG1 MET 115.A O no hydrogen 2.612 N/A ALA 120.A N GLU 123.A OE2 no hydrogen 2.833 N/A GLU 123.A N ALA 120.A O no hydrogen 3.207 N/A ILE 126.A N THR 124.A O no hydrogen 2.596 N/A VAL 129.A N PRO 125.A O no hydrogen 2.907 N/A THR 130.A N ILE 126.A O no hydrogen 2.869 N/A THR 130.A OG1 ILE 126.A O no hydrogen 2.599 N/A ARG 131.A NH1 GLU 128.A OE1 no hydrogen 3.535 N/A ARG 131.A NH2 GLU 128.A OE1 no hydrogen 2.930 N/A ILE 133.A N THR 130.A O no hydrogen 3.293 N/A THR 134.A OG1 THR 130.A O no hydrogen 2.597 N/A LYS 135.A N PRO 164.A O no hydrogen 2.927 N/A LYS 135.A NZ LEU 156.A O no hydrogen 2.705 N/A LYS 135.A NZ ARG 161.A O no hydrogen 2.678 N/A LYS 135.A NZ TYR 191.A OH no hydrogen 2.976 N/A ASN 137.A ND2 VAL 127.A O no hydrogen 2.967 N/A ASN 137.A ND2 THR 130.A OG1 no hydrogen 3.236 N/A TYR 138.A N LEU 166.A O no hydrogen 2.727 N/A TYR 138.A OH GLU 152.A OE1 no hydrogen 2.761 N/A VAL 140.A N ASP 168.A O no hydrogen 3.037 N/A ASP 145.A N ASP 142.A O no hydrogen 3.085 N/A ILE 146.A N VAL 143.A O no hydrogen 3.381 N/A ARG 148.A NE GLU 152.A OE2 no hydrogen 2.750 N/A ILE 149.A N ASP 145.A O no hydrogen 3.023 N/A ILE 150.A N ILE 146.A O no hydrogen 3.075 N/A GLU 151.A N PRO 147.A O no hydrogen 3.254 N/A GLU 152.A N ARG 148.A O no hydrogen 2.934 N/A ALA 153.A N ILE 149.A O no hydrogen 2.714 N/A PHE 154.A N ILE 150.A O no hydrogen 3.070 N/A PHE 155.A N GLU 151.A O no hydrogen 3.048 N/A LEU 156.A N GLU 152.A O no hydrogen 2.823 N/A ALA 157.A N ALA 153.A O no hydrogen 3.056 N/A THR 158.A N PHE 154.A O no hydrogen 3.229 N/A THR 158.A OG1 PHE 154.A O no hydrogen 2.676 N/A THR 158.A OG1 PHE 155.A O no hydrogen 3.522 N/A SER 159.A N PHE 155.A O no hydrogen 2.929 N/A SER 159.A OG PHE 155.A O no hydrogen 2.578 N/A SER 159.A OG TYR 191.A OH no hydrogen 3.039 N/A ARG 161.A NE SER 101.A OG no hydrogen 2.748 N/A ARG 161.A NH1 ASP 311.A OD2 no hydrogen 3.303 N/A ARG 161.A NH1 GLU 314.A OE2 no hydrogen 3.022 N/A GLY 163.A N ALA 157.A O no hydrogen 3.133 N/A VAL 165.A N LEU 104.A O no hydrogen 2.805 N/A LEU 166.A N HIS 136.A O no hydrogen 3.353 N/A VAL 167.A N ALA 106.A O no hydrogen 2.786 N/A ASP 168.A N TYR 138.A O no hydrogen 2.834 N/A VAL 169.A N THR 108.A O no hydrogen 2.866 N/A LYS 171.A N GLN 110.A O no hydrogen 2.667 N/A LYS 171.A NZ GLY 36.A O no hydrogen 3.007 N/A ILE 173.A N PRO 170.A O no hydrogen 3.131 N/A GLN 174.A N PRO 170.A O no hydrogen 3.325 N/A GLN 174.A NE2 ALA 37.A O no hydrogen 2.873 N/A GLN 174.A NE2 VAL 169.A O no hydrogen 2.975 N/A GLN 175.A N LYS 171.A O no hydrogen 3.241 N/A GLN 175.A N ASP 172.A O no hydrogen 3.319 N/A GLN 175.A NE2 GLU 40.A OE2 no hydrogen 3.111 N/A ALA 178.A N ARG 12.A O no hydrogen 3.007 N/A ASN 181.A ND2 GLN 184.A OE1.A no hydrogen 3.453 N/A GLU 183.A N ASN 181.A OD1 no hydrogen 3.379 N/A ARG 187.A N GLU 152.A OE2 no hydrogen 2.746 N/A TYR 191.A OH SER 159.A OG no hydrogen 3.039 N/A MET 192.A N LEU 188.A O no hydrogen 3.265 N/A SER 193.A N PRO 189.A O no hydrogen 3.398 N/A SER 193.A OG PRO 189.A O no hydrogen 3.485 N/A SER 193.A OG GLY 190.A O no hydrogen 2.755 N/A ARG 194.A N GLY 190.A O no hydrogen 3.346 N/A ARG 194.A N TYR 191.A O no hydrogen 3.293 N/A MET 195.A N MET 192.A O no hydrogen 3.329 N/A LYS 197.A NZ GLU 200.A OE2 no hydrogen 2.837 N/A SER 202.A OG GLU 200.A OE1 no hydrogen 3.465 N/A LEU 204.A N GLU 200.A O no hydrogen 3.415 N/A GLU 205.A N ASP 201.A O no hydrogen 3.038 N/A GLN 206.A N SER 202.A O no hydrogen 3.261 N/A GLN 206.A N HIS 203.A O no hydrogen 3.259 N/A ILE 207.A N HIS 203.A O no hydrogen 3.232 N/A VAL 208.A N LEU 204.A O no hydrogen 3.192 N/A ARG 209.A N GLU 205.A O no hydrogen 3.161 N/A LEU 210.A N GLN 206.A O no hydrogen 3.177 N/A ILE 211.A N ILE 207.A O no hydrogen 3.033 N/A SER 212.A N VAL 208.A O no hydrogen 3.201 N/A SER 212.A OG ARG 209.A O no hydrogen 2.739 N/A GLU 213.A N ARG 209.A O no hydrogen 3.267 N/A GLU 213.A N LEU 210.A O no hydrogen 3.242 N/A SER 214.A N ILE 211.A O no hydrogen 3.255 N/A SER 214.A OG ILE 211.A O no hydrogen 2.792 N/A LYS 215.A N ASP 279.A OD2 no hydrogen 2.967 N/A LYS 216.A N ASP 279.A OD1 no hydrogen 2.833 N/A VAL 218.A N LEU 280.A O no hydrogen 2.907 N/A LEU 219.A N PRO 242.A O no hydrogen 2.926 N/A TYR 220.A N LEU 282.A O no hydrogen 2.675 N/A VAL 221.A N ALA 244.A O no hydrogen 2.866 N/A GLY 222.A N PHE 284.A O no hydrogen 3.071 N/A GLY 224.A N GLY 285.A O no hydrogen 3.053 N/A CYS 225.A N GLY 222.A O no hydrogen 3.135 N/A CYS 225.A SG PHE 284.A O no hydrogen 3.288 N/A SER 228.A N CYS 225.A O no hydrogen 3.020 N/A GLU 231.A N GLU 231.A OE1 no hydrogen 2.697 N/A LEU 232.A N SER 228.A O no hydrogen 2.849 N/A GLY 233.A N SER 229.A O no hydrogen 3.159 N/A ARG 234.A N ASP 230.A O no hydrogen 3.010 N/A ARG 234.A NH2 GLU 341.A OE1 no hydrogen 2.865 N/A PHE 235.A N GLU 231.A O no hydrogen 2.906 N/A VAL 236.A N LEU 232.A O no hydrogen 2.922 N/A GLU 237.A N GLY 233.A O no hydrogen 3.168 N/A LEU 238.A N ARG 234.A O no hydrogen 3.240 N/A THR 239.A N PHE 235.A O no hydrogen 3.091 N/A THR 239.A N VAL 236.A O no hydrogen 3.273 N/A THR 239.A OG1 PHE 235.A O no hydrogen 2.821 N/A THR 239.A OG1 VAL 236.A O no hydrogen 3.553 N/A GLY 240.A N VAL 236.A O no hydrogen 2.574 N/A ILE 241.A N THR 239.A OG1 no hydrogen 3.358 N/A VAL 243.A N LEU 258.A O no hydrogen 2.912 N/A ALA 244.A N LEU 219.A O no hydrogen 2.781 N/A SER 245.A N HIS 261.A O no hydrogen 2.861 N/A SER 245.A OG THR 246.A O no hydrogen 2.975 N/A THR 246.A N VAL 221.A O no hydrogen 2.870 N/A GLY 249.A N THR 246.A O no hydrogen 3.241 N/A GLY 249.A N THR 246.A OG1 no hydrogen 3.066 N/A SER 252.A N GLY 249.A O no hydrogen 3.243 N/A SER 252.A OG GLY 249.A O no hydrogen 2.952 N/A TYR 253.A OH ASP 256.A OD2 no hydrogen 2.605 N/A ASP 256.A N PRO 254.A O no hydrogen 3.409 N/A LEU 258.A N ASP 256.A OD2 no hydrogen 2.961 N/A SER 259.A N ASP 256.A O no hydrogen 3.315 N/A LEU 260.A N VAL 243.A O no hydrogen 2.767 N/A HIS 261.A N SER 259.A OG no hydrogen 3.314 N/A HIS 261.A NE2 ALA 407.A O no hydrogen 2.713 N/A LEU 263.A N SER 245.A O no hydrogen 3.067 N/A GLY 264.A N ASN 272.A OD1 no hydrogen 2.810 N/A MET 265.A N ARG 291.A O no hydrogen 2.829 N/A HIS 266.A ND1 PRO 563.A O no hydrogen 3.160 N/A GLY 267.A N GLY 264.A O no hydrogen 3.222 N/A THR 268.A N MET 262.A O no hydrogen 2.823 N/A THR 268.A OG1 LEU 260.A O no hydrogen 3.148 N/A ALA 271.A N THR 268.A OG1 no hydrogen 3.118 N/A ASN 272.A N THR 268.A O no hydrogen 3.226 N/A ASN 272.A ND2 GLY 264.A O no hydrogen 3.110 N/A TYR 273.A N VAL 269.A O no hydrogen 2.956 N/A TYR 273.A OH GLU 357.A OE2 no hydrogen 2.901 N/A ALA 274.A N TYR 270.A O no hydrogen 2.961 N/A VAL 275.A N ALA 271.A O no hydrogen 3.346 N/A GLU 276.A N ASN 272.A O no hydrogen 2.968 N/A HIS 277.A N TYR 273.A O no hydrogen 3.059 N/A SER 278.A N VAL 275.A O no hydrogen 3.435 N/A SER 278.A OG VAL 275.A O no hydrogen 2.807 N/A ASP 279.A N LYS 216.A O no hydrogen 3.118 N/A LEU 281.A N LYS 304.A O no hydrogen 2.924 N/A LEU 282.A N VAL 218.A O no hydrogen 2.925 N/A ALA 283.A N VAL 306.A O no hydrogen 2.613 N/A PHE 284.A N TYR 220.A O no hydrogen 2.876 N/A GLY 285.A N ILE 308.A O no hydrogen 3.223 N/A ARG 291.A NE ASP 290.A OD2.B no hydrogen 2.941 N/A ARG 291.A NH1 ASP 290.A OD2.B no hydrogen 2.375 N/A VAL 292.A N ASP 289.A O no hydrogen 3.014 N/A THR 293.A N ASP 289.A O no hydrogen 2.909 N/A THR 293.A OG1 ASP 289.A O no hydrogen 3.329 N/A THR 293.A OG1 GLY 294.A O no hydrogen 3.169 N/A GLY 294.A N ASP 290.A O.A no hydrogen 2.905 N/A GLY 294.A N ASP 290.A O.B no hydrogen 3.110 N/A LYS 295.A N GLY 569.A O no hydrogen 3.001 N/A GLU 297.A N GLU 297.A OE1 no hydrogen 2.668 N/A ALA 298.A N LYS 295.A O no hydrogen 2.947 N/A PHE 299.A N LEU 296.A O no hydrogen 2.897 N/A ARG 302.A NE GLU 276.A O no hydrogen 3.431 N/A ALA 303.A N ALA 300.A O no hydrogen 3.324 N/A LYS 304.A N ASP 279.A O no hydrogen 2.965 N/A ILE 305.A N HIS 322.A ND1 no hydrogen 3.104 N/A VAL 306.A N LEU 281.A O no hydrogen 2.763 N/A HIS 307.A N VAL 323.A O no hydrogen 2.963 N/A HIS 307.A NE2 VAL 286.A O no hydrogen 3.155 N/A ILE 308.A N ALA 283.A O no hydrogen 2.949 N/A ASP 309.A N VAL 325.A O no hydrogen 3.222 N/A ASP 311.A N ASP 309.A OD1 no hydrogen 2.624 N/A ALA 313.A N ASP 311.A OD1 no hydrogen 3.385 N/A GLU 314.A N ASP 311.A O no hydrogen 3.020 N/A ILE 315.A N SER 312.A O no hydrogen 3.380 N/A LYS 317.A NZ GLU 314.A OE1 no hydrogen 2.964 N/A LYS 317.A NZ GLU 314.A OE2 no hydrogen 3.213 N/A ASN 318.A ND2 ARG 287.A O no hydrogen 3.656 N/A ASN 318.A ND2 PHE 288.A O no hydrogen 2.765 N/A HIS 322.A N ILE 305.A O no hydrogen 2.854 N/A VAL 323.A N ILE 305.A O no hydrogen 3.226 N/A VAL 325.A N HIS 307.A O no hydrogen 3.021 N/A CYS 326.A SG ASP 309.A O no hydrogen 3.935 N/A GLY 327.A N ASP 309.A O no hydrogen 2.956 N/A LYS 330.A N ASP 328.A OD1 no hydrogen 3.085 N/A LYS 330.A NZ ASN 227.A O no hydrogen 2.616 N/A LYS 330.A NZ GLU 231.A OE1 no hydrogen 3.060 N/A LYS 330.A NZ GLU 231.A OE2 no hydrogen 2.945 N/A ALA 332.A N ASP 328.A O no hydrogen 3.064 N/A LEU 333.A N VAL 329.A O no hydrogen 2.930 N/A GLN 334.A N LYS 330.A O no hydrogen 3.160 N/A GLN 334.A NE2 GLU 231.A OE2 no hydrogen 3.232 N/A GLY 335.A N LEU 331.A O no hydrogen 2.905 N/A MET 336.A N ALA 332.A O no hydrogen 3.048 N/A ASN 337.A N LEU 333.A O no hydrogen 2.819 N/A ASN 337.A ND2 GLU 231.A O no hydrogen 3.316 N/A LYS 338.A N GLN 334.A O no hydrogen 3.465 N/A LEU 340.A N MET 336.A O no hydrogen 2.817 N/A GLU 341.A N ASN 337.A O no hydrogen 3.085 N/A ASN 342.A N LYS 338.A O no hydrogen 3.334 N/A ARG 343.A N VAL 339.A O no hydrogen 3.136 N/A ARG 343.A NE GLU 346.A OE1 no hydrogen 3.449 N/A ALA 344.A N GLU 341.A O no hydrogen 3.329 N/A LEU 347.A N ARG 343.A O no hydrogen 2.975 N/A LYS 348.A N ALA 344.A O no hydrogen 2.947 N/A GLY 352.A N ASP 350.A OD1 no hydrogen 3.393 N/A TRP 354.A NE1 PRO 217.A O no hydrogen 2.992 N/A ARG 355.A N PHE 351.A O no hydrogen 2.925 N/A ARG 355.A NE PHE 351.A O no hydrogen 3.274 N/A ASN 356.A N GLY 352.A O no hydrogen 2.891 N/A ASN 356.A ND2 GLY 352.A O no hydrogen 2.621 N/A GLU 357.A N VAL 353.A O no hydrogen 3.117 N/A LEU 358.A N TRP 354.A O no hydrogen 3.057 N/A ASN 359.A N ARG 355.A O no hydrogen 2.738 N/A VAL 360.A N ASN 356.A O no hydrogen 2.949 N/A GLN 361.A N GLU 357.A O no hydrogen 3.446 N/A LYS 362.A N LEU 358.A O no hydrogen 2.907 N/A LYS 362.A NZ GLU 257.A O no hydrogen 3.423 N/A LYS 362.A NZ SER 259.A O no hydrogen 3.067 N/A GLN 363.A N ASN 359.A O no hydrogen 3.162 N/A GLN 363.A N VAL 360.A O no hydrogen 2.723 N/A LYS 364.A N VAL 360.A O no hydrogen 3.041 N/A PHE 365.A N GLN 361.A O no hydrogen 3.005 N/A ALA 375.A N PHE 372.A O no hydrogen 3.003 N/A GLN 379.A N GLN 379.A OE1 no hydrogen 2.695 N/A GLN 379.A NE2 GLU 559.A OE1 no hydrogen 3.493 N/A ALA 381.A N PRO 377.A O no hydrogen 3.050 N/A ILE 382.A N PRO 378.A O no hydrogen 3.332 N/A LYS 383.A N GLN 379.A O no hydrogen 3.171 N/A VAL 384.A N TYR 380.A O no hydrogen 2.961 N/A LEU 385.A N ALA 381.A O no hydrogen 3.123 N/A ASP 386.A N ILE 382.A O no hydrogen 3.004 N/A GLU 387.A N LYS 383.A O no hydrogen 3.158 N/A LEU 388.A N VAL 384.A O no hydrogen 2.987 N/A THR 389.A N LEU 385.A O no hydrogen 3.045 N/A THR 389.A OG1 LEU 385.A O no hydrogen 2.470 N/A THR 389.A OG1 ASP 386.A O no hydrogen 3.454 N/A THR 389.A OG1 TYR 410.A OH no hydrogen 2.694 N/A ASP 390.A N GLU 387.A O no hydrogen 3.351 N/A GLY 391.A N ASP 386.A O no hydrogen 2.926 N/A LYS 392.A N THR 389.A O no hydrogen 3.112 N/A ALA 393.A N TYR 410.A OH no hydrogen 3.306 N/A ILE 394.A N ILE 445.A O no hydrogen 2.716 N/A ILE 395.A N GLN 417.A O no hydrogen 2.539 N/A SER 396.A N VAL 447.A O no hydrogen 3.063 N/A SER 396.A OG GLY 430.A O no hydrogen 2.846 N/A SER 396.A OG ASP 448.A OD1 no hydrogen 3.549 N/A THR 397.A N LEU 419.A O no hydrogen 3.131 N/A THR 397.A OG1 GLY 398.A O no hydrogen 3.053 N/A VAL 399.A N SER 454.A OG no hydrogen 3.390 N/A GLY 400.A N GLN 403.A OE1 no hydrogen 3.377 N/A GLN 401.A NE2 GLN 487.A OE1 no hydrogen 3.009 N/A GLN 401.A NE2 GLU 559.A O no hydrogen 3.024 N/A GLN 403.A N GLY 400.A O no hydrogen 3.190 N/A GLN 403.A NE2 SER 420.A OG no hydrogen 2.587 N/A GLN 403.A NE2 SER 421.A O no hydrogen 2.939 N/A MET 404.A N GLY 400.A O no hydrogen 3.338 N/A TRP 405.A N GLN 401.A O no hydrogen 3.111 N/A ALA 406.A N HIS 402.A O no hydrogen 2.991 N/A ALA 407.A N GLN 403.A O no hydrogen 3.210 N/A ALA 407.A N MET 404.A O no hydrogen 2.999 N/A GLN 408.A N MET 404.A O no hydrogen 2.832 N/A GLN 408.A N TRP 405.A O no hydrogen 3.273 N/A GLN 408.A NE2 HIS 266.A O no hydrogen 2.904 N/A GLN 408.A NE2 LEU 562.A O no hydrogen 3.163 N/A PHE 409.A N TRP 405.A O no hydrogen 2.893 N/A TYR 410.A OH THR 389.A OG1 no hydrogen 2.694 N/A ASN 411.A N ASP 386.A OD2 no hydrogen 2.646 N/A TYR 412.A OH ALA 406.A O no hydrogen 2.686 N/A LYS 413.A NZ ASP 390.A O no hydrogen 2.879 N/A LYS 414.A N GLN 417.A OE1 no hydrogen 2.937 N/A ARG 416.A NH1 ARG 71.A O no hydrogen 3.004 N/A ARG 416.A NH2 ASN 227.A OD1 no hydrogen 2.899 N/A GLN 417.A NE2 GLY 391.A O no hydrogen 2.956 N/A GLN 417.A NE2 ALA 393.A O no hydrogen 2.961 N/A LEU 419.A N ILE 395.A O no hydrogen 2.785 N/A SER 420.A OG THR 397.A OG1 no hydrogen 2.898 N/A SER 421.A OG ASP 96.A OD1 no hydrogen 2.520 N/A GLY 422.A N ASP 100.A OD2 no hydrogen 2.917 N/A GLY 423.A N ASP 100.A OD1 no hydrogen 2.706 N/A ALA 426.A N SER 421.A OG no hydrogen 2.943 N/A ALA 433.A N PHE 429.A O no hydrogen 3.105 N/A ALA 434.A N GLY 430.A O no hydrogen 3.030 N/A ILE 435.A N LEU 431.A O no hydrogen 3.215 N/A GLY 436.A N PRO 432.A O no hydrogen 3.142 N/A ALA 437.A N ALA 433.A O no hydrogen 2.989 N/A SER 438.A N ALA 434.A O no hydrogen 2.963 N/A VAL 439.A N ILE 435.A O no hydrogen 3.086 N/A ALA 440.A N GLY 436.A O no hydrogen 3.020 N/A ASN 441.A N ALA 437.A O no hydrogen 2.754 N/A ASN 441.A ND2 SER 72.A O no hydrogen 3.251 N/A ASN 441.A ND2 ALA 437.A O no hydrogen 3.013 N/A ALA 444.A N ASN 441.A O no hydrogen 3.290 N/A VAL 447.A N ILE 394.A O no hydrogen 2.887 N/A ASP 448.A N LYS 473.A O no hydrogen 2.608 N/A ILE 449.A N SER 396.A O no hydrogen 2.833 N/A ASP 450.A N LEU 475.A O no hydrogen 3.121 N/A GLY 451.A N ASP 450.A OD1 no hydrogen 3.103 N/A SER 454.A OG VAL 399.A O no hydrogen 3.339 N/A PHE 455.A N GLY 451.A O no hydrogen 2.723 N/A ASN 458.A ND2 GLN 60.A OE1 no hydrogen 3.354 N/A ASN 458.A ND2 GLY 428.A O no hydrogen 2.844 N/A VAL 459.A N ILE 456.A O no hydrogen 3.372 N/A GLN 460.A NE2 ASN 458.A OD1 no hydrogen 2.825 N/A GLN 460.A NE2 GLU 461.A OE2 no hydrogen 2.965 N/A GLU 461.A N ASN 458.A O no hydrogen 3.175 N/A LEU 462.A N VAL 459.A O no hydrogen 3.078 N/A ALA 463.A N GLN 460.A O no hydrogen 3.256 N/A THR 464.A OG1 GLU 461.A OE1 no hydrogen 2.956 N/A ILE 465.A N GLU 461.A O no hydrogen 3.089 N/A ARG 466.A N LEU 462.A O no hydrogen 3.226 N/A ARG 466.A NE GLY 523.A O no hydrogen 3.254 N/A ARG 466.A NH1 ASN 469.A OD1 no hydrogen 3.345 N/A ARG 466.A NH2 GLY 523.A O no hydrogen 3.215 N/A VAL 467.A N ALA 463.A O no hydrogen 3.063 N/A GLU 468.A N THR 464.A O no hydrogen 3.007 N/A ASN 469.A N ARG 466.A O no hydrogen 2.988 N/A LEU 470.A N ILE 465.A O no hydrogen 3.030 N/A VAL 472.A N LEU 470.A O no hydrogen 2.696 N/A LYS 473.A N VAL 446.A O no hydrogen 2.915 N/A LYS 473.A NZ MET 542.A O no hydrogen 2.905 N/A LYS 473.A NZ GLY 547.A O no hydrogen 2.799 N/A VAL 474.A N TYR 549.A O no hydrogen 2.781 N/A LEU 476.A N LEU 551.A O no hydrogen 2.973 N/A LEU 477.A N ASP 450.A O no hydrogen 2.905 N/A ASN 478.A N VAL 553.A O no hydrogen 2.723 N/A ASN 478.A ND2 ASP 552.A OD1 no hydrogen 3.353 N/A ASN 479.A ND2 GLN 401.A OE1 no hydrogen 3.446 N/A GLN 480.A N ASN 478.A OD1 no hydrogen 3.019 N/A GLN 480.A NE2 ASN 478.A OD1 no hydrogen 2.862 N/A GLN 480.A NE2 PHE 512.A O no hydrogen 3.200 N/A HIS 481.A N ASN 479.A OD1 no hydrogen 3.127 N/A HIS 481.A ND1 ASN 479.A O no hydrogen 2.906 N/A LEU 482.A N THR 500.A O no hydrogen 2.804 N/A MET 486.A N LEU 482.A O no hydrogen 2.961 N/A GLN 487.A N GLY 483.A O no hydrogen 2.750 N/A GLN 487.A NE2 VAL 561.A O no hydrogen 3.152 N/A TRP 488.A N MET 484.A O no hydrogen 3.379 N/A GLU 489.A N VAL 485.A O no hydrogen 3.049 N/A ASP 490.A N MET 486.A O no hydrogen 3.037 N/A ARG 491.A N GLN 487.A O no hydrogen 3.108 N/A PHE 492.A N TRP 488.A O no hydrogen 2.771 N/A TYR 493.A N GLU 489.A O no hydrogen 3.021 N/A ALA 495.A N GLU 489.A O no hydrogen 2.737 N/A ASN 496.A N TYR 493.A O no hydrogen 3.075 N/A ARG 497.A NH1 GLU 489.A OE1 no hydrogen 3.515 N/A ARG 497.A NH1 ASP 490.A OD1 no hydrogen 2.932 N/A ARG 497.A NH2 ASP 490.A OD1 no hydrogen 3.056 N/A ALA 498.A N GLU 489.A OE2 no hydrogen 2.785 N/A THR 500.A OG1 GLU 489.A OE1 no hydrogen 3.034 N/A LEU 502.A N GLN 480.A O no hydrogen 2.989 N/A ALA 506.A N ASP 504.A OD1 no hydrogen 3.058 N/A GLN 507.A N ASP 504.A O no hydrogen 3.102 N/A GLN 507.A NE2 ASP 504.A OD2 no hydrogen 3.487 N/A GLU 510.A N GLN 507.A O no hydrogen 3.187 N/A PHE 512.A N GLN 480.A OE1 no hydrogen 2.768 N/A LEU 516.A N ASN 514.A OD1 no hydrogen 3.208 N/A LEU 517.A N ASN 514.A O no hydrogen 3.094 N/A ALA 519.A N MET 515.A O no hydrogen 3.285 N/A ALA 520.A N LEU 516.A O no hydrogen 2.933 N/A ALA 521.A N LEU 517.A O no hydrogen 2.939 N/A CYS 522.A N ALA 519.A O no hydrogen 3.001 N/A CYS 522.A SG PHE 518.A O no hydrogen 3.848 N/A GLY 523.A N ALA 520.A O no hydrogen 3.145 N/A ILE 524.A N ALA 519.A O no hydrogen 2.720 N/A ALA 527.A N LEU 550.A O no hydrogen 2.976 N/A ARG 528.A NE ASP 552.A OD2 no hydrogen 2.917 N/A VAL 529.A N ASP 552.A O no hydrogen 3.019 N/A LYS 532.A N GLU 374.A O.A no hydrogen 2.867 N/A LYS 532.A N GLU 374.A O.B no hydrogen 2.730 N/A LYS 532.A NZ THR 371.A OG1 no hydrogen 2.985 N/A ALA 533.A N GLU 374.A OE1.A no hydrogen 3.013 N/A ASP 534.A N LYS 531.A O no hydrogen 3.076 N/A LEU 535.A N LYS 532.A O no hydrogen 3.214 N/A ARG 536.A NH2 GLU 387.A OE2 no hydrogen 2.634 N/A ALA 538.A N ASP 534.A O no hydrogen 3.281 N/A ILE 539.A N LEU 535.A O no hydrogen 3.024 N/A GLN 540.A N ARG 536.A O no hydrogen 3.100 N/A GLN 540.A NE2 ASP 544.A OD2 no hydrogen 2.798 N/A THR 541.A N GLU 537.A O no hydrogen 2.837 N/A THR 541.A OG1 GLU 537.A O no hydrogen 2.754 N/A MET 542.A N ALA 538.A O no hydrogen 3.056 N/A LEU 543.A N ILE 539.A O no hydrogen 3.105 N/A ASP 544.A N GLN 540.A O no hydrogen 2.838 N/A THR 545.A N THR 541.A O no hydrogen 2.923 N/A THR 545.A OG1 THR 541.A O no hydrogen 2.679 N/A TYR 549.A N VAL 472.A O no hydrogen 3.151 N/A LEU 550.A N PRO 525.A O no hydrogen 3.174 N/A LEU 551.A N VAL 474.A O no hydrogen 2.903 N/A ASP 552.A N ALA 527.A O no hydrogen 2.796 N/A VAL 553.A N LEU 476.A O no hydrogen 2.789 N/A ILE 554.A N VAL 529.A O no hydrogen 3.146 N/A CYS 555.A N ASN 478.A O no hydrogen 2.987 N/A CYS 555.A SG VAL 553.A O no hydrogen 3.606 N/A GLN 558.A N GLN 558.A OE1 no hydrogen 2.838 N/A HIS 560.A NE2 ASP 490.A OD2 no hydrogen 2.979 N/A VAL 561.A N GLN 487.A OE1 no hydrogen 2.854 N/A MET 564.A N ILE 575.A O no hydrogen 2.976 N/A ILE 565.A N MET 265.A O no hydrogen 2.837 N/A GLY 569.A N PRO 566.A O no hydrogen 2.888 N/A THR 570.A N ASP 573.A OD2 no hydrogen 3.073 N/A THR 570.A OG1 ASP 573.A OD2 no hydrogen 3.345 N/A ASP 573.A N THR 570.A O no hydrogen 3.097 N/A VAL 574.A N PHE 571.A O no hydrogen 3.339 N/A ILE 575.A N MET 564.A O no hydrogen 2.733 N/A GLY 580.A N GLN 558.A O no hydrogen 2.769 N/A ARG 581.A N ASP 579.A OD1 no hydrogen 3.017 N/A ARG 581.A NE ASP 579.A OD2 no hydrogen 3.261 N/A