Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1w6s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A N TYR 21.A OH no hydrogen 3.320 N/A ASN 1.A ND2 LYS 166.A O no hydrogen 3.020 N/A LEU 4.A N ASN 1.A OD1 no hydrogen 2.953 N/A VAL 5.A N ASN 1.A O no hydrogen 3.159 N/A GLU 6.A N ASP 2.A O no hydrogen 3.221 N/A LEU 7.A N LYS 3.A O no hydrogen 2.998 N/A SER 8.A N LEU 4.A O no hydrogen 3.041 N/A SER 8.A OG VAL 5.A O no hydrogen 2.754 N/A LYS 9.A N GLU 6.A O no hydrogen 3.161 N/A LYS 9.A NZ GLU 6.A OE2 no hydrogen 3.119 N/A SER 10.A N LEU 7.A O no hydrogen 3.232 N/A ASP 12.A N SER 10.A OG no hydrogen 3.188 N/A ASN 13.A N SER 10.A O no hydrogen 3.265 N/A ASN 13.A ND2 LEU 7.A O no hydrogen 3.222 N/A TRP 14.A N VAL 60.A O no hydrogen 2.855 N/A GLY 18.A N TYR 519.A OH no hydrogen 3.378 N/A LYS 19.A N MET 16.A O no hydrogen 3.129 N/A ASN 20.A N GLY 18.A O no hydrogen 3.020 N/A ASN 20.A ND2 ASN 24.A OD1 no hydrogen 2.916 N/A TYR 21.A OH VAL 164.A O no hydrogen 2.798 N/A SER 23.A N ASN 20.A O no hydrogen 2.944 N/A SER 23.A OG TYR 246.A O no hydrogen 3.515 N/A SER 23.A OG HIS 397.A NE2 no hydrogen 2.896 N/A ASN 24.A N ASN 20.A OD1 no hydrogen 3.451 N/A PHE 26.A N ASN 24.A OD1 no hydrogen 3.152 N/A SER 27.A N ALA 481.A O no hydrogen 3.079 N/A LEU 29.A N SER 27.A OG no hydrogen 3.167 N/A GLN 31.A NE2 GLY 527.A O no hydrogen 3.116 N/A ILE 32.A N GLN 529.A OE1 no hydrogen 3.081 N/A ASN 33.A N ASN 36.A OD1 no hydrogen 2.945 N/A ASN 33.A ND2 LYS 30.A O no hydrogen 3.198 N/A LYS 34.A N GLY 484.A O no hydrogen 3.035 N/A GLY 35.A N ASN 33.A OD1 no hydrogen 2.855 N/A ASN 36.A N ASN 33.A O no hydrogen 3.116 N/A ASN 36.A ND2 GLN 31.A O no hydrogen 3.065 N/A GLN 39.A N ASN 36.A O no hydrogen 2.961 N/A GLN 39.A NE2 ASP 581.A OD1 no hydrogen 2.933 N/A LEU 40.A N VAL 37.A O no hydrogen 3.022 N/A ARG 41.A N SER 579.A O no hydrogen 3.205 N/A ALA 43.A N VAL 577.A O no hydrogen 2.789 N/A TRP 44.A N VAL 577.A O no hydrogen 3.466 N/A PHE 46.A N VAL 575.A O no hydrogen 3.087 N/A SER 47.A OG GLY 573.A O no hydrogen 3.333 N/A THR 48.A N GLY 573.A O no hydrogen 3.143 N/A THR 48.A OG1 HIS 54.A NE2 no hydrogen 2.946 N/A ASN 52.A ND2 ASP 105.A OD1 no hydrogen 2.938 N/A GLY 53.A N ASP 105.A OD2 no hydrogen 3.011 N/A HIS 54.A N GLY 536.A O no hydrogen 3.141 N/A HIS 54.A ND1 ASN 52.A O no hydrogen 3.087 N/A HIS 54.A NE2 THR 48.A OG1 no hydrogen 2.946 N/A LEU 59.A N TYR 66.A O no hydrogen 3.223 N/A VAL 60.A N TRP 14.A O no hydrogen 3.068 N/A VAL 61.A N LYS 64.A O no hydrogen 3.165 N/A LYS 64.A N VAL 61.A O no hydrogen 3.199 N/A MET 65.A N LEU 78.A O no hydrogen 2.945 N/A TYR 66.A N LEU 59.A O no hydrogen 2.929 N/A TYR 66.A OH ALA 138.A O no hydrogen 3.155 N/A ILE 67.A N PHE 76.A O no hydrogen 3.015 N/A HIS 68.A N TYR 534.A OH no hydrogen 3.122 N/A HIS 68.A NE2 ASN 108.A O no hydrogen 2.949 N/A THR 69.A OG1 SER 70.A O no hydrogen 2.807 N/A SER 70.A OG LEU 51.A O no hydrogen 2.866 N/A PHE 71.A N LEU 106.A O no hydrogen 3.029 N/A ASN 73.A N SER 70.A O no hydrogen 2.874 N/A ASN 74.A N THR 69.A OG1 no hydrogen 2.992 N/A THR 75.A N ASP 90.A O no hydrogen 3.064 N/A PHE 76.A N ILE 67.A O no hydrogen 3.052 N/A ALA 77.A N TRP 88.A O no hydrogen 3.216 N/A LEU 78.A N MET 65.A O no hydrogen 2.987 N/A LEU 80.A N GLY 63.A O no hydrogen 3.059 N/A ASP 82.A N GLY 79.A O no hydrogen 3.092 N/A GLY 84.A N TYR 586.A OH no hydrogen 3.003 N/A THR 85.A N ASP 82.A O no hydrogen 3.214 N/A LEU 87.A N ALA 77.A O no hydrogen 2.918 N/A TRP 88.A NE1 ALA 138.A O no hydrogen 3.067 N/A ASP 90.A N THR 75.A O no hydrogen 2.992 N/A GLN 94.A NE2 PRO 72.A O no hydrogen 2.970 N/A GLN 94.A NE2 ASN 73.A OD1 no hydrogen 2.971 N/A ALA 97.A N ASN 95.A OD1 no hydrogen 2.963 N/A ALA 98.A N ASN 95.A O no hydrogen 2.994 N/A ARG 99.A N PRO 96.A O no hydrogen 3.199 N/A ALA 100.A N ALA 97.A O no hydrogen 3.177 N/A ALA 102.A N ARG 99.A O no hydrogen 3.485 N/A CYS 103.A SG GLU 177.A OE2 no hydrogen 3.882 N/A ASN 108.A ND2 THR 127.A O no hydrogen 3.423 N/A ASN 108.A ND2 THR 127.A OG1 no hydrogen 3.009 N/A ARG 109.A N THR 159.A O no hydrogen 2.966 N/A ARG 109.A NH1 THR 159.A OG1 no hydrogen 2.901 N/A GLY 110.A N ASN 108.A OD1 no hydrogen 3.180 N/A ALA 112.A N LEU 125.A O no hydrogen 3.215 N/A TRP 114.A N LEU 123.A O no hydrogen 2.993 N/A TRP 114.A NE1 ASP 167.A OD1 no hydrogen 2.911 N/A ASP 117.A N THR 120.A O no hydrogen 3.324 N/A LYS 119.A N ASP 117.A OD1 no hydrogen 2.787 N/A THR 120.A N ASP 117.A OD1 no hydrogen 2.871 N/A LEU 123.A N TRP 114.A O no hydrogen 2.982 N/A ILE 124.A N LEU 136.A O no hydrogen 2.933 N/A LEU 125.A N ALA 112.A O no hydrogen 3.016 N/A LYS 126.A N ALA 134.A O no hydrogen 3.036 N/A LYS 126.A NZ ASN 73.A O no hydrogen 2.909 N/A LYS 126.A NZ THR 75.A OG1 no hydrogen 2.950 N/A LYS 126.A NZ ASP 90.A OD2 no hydrogen 2.873 N/A THR 127.A OG1 ILE 160.A O no hydrogen 2.830 N/A GLN 128.A N ASN 132.A O no hydrogen 3.107 N/A GLN 128.A NE2 ASP 130.A OD1 no hydrogen 3.149 N/A LEU 129.A N ASN 73.A OD1 no hydrogen 2.991 N/A ASP 130.A N GLN 94.A OE1 no hydrogen 2.988 N/A GLY 131.A N GLN 128.A O no hydrogen 3.008 N/A ASN 132.A N ASP 130.A OD1 no hydrogen 3.333 N/A ASN 132.A ND2 ASP 130.A OD1 no hydrogen 3.064 N/A ASN 132.A ND2 ASP 130.A OD2 no hydrogen 3.338 N/A VAL 133.A N VAL 147.A O no hydrogen 3.031 N/A ALA 134.A N LYS 126.A O no hydrogen 3.070 N/A ALA 135.A N TRP 145.A O no hydrogen 3.121 N/A LEU 136.A N ILE 124.A O no hydrogen 2.898 N/A ASN 137.A N GLU 142.A O no hydrogen 2.979 N/A ALA 138.A N ALA 122.A O no hydrogen 3.090 N/A GLU 139.A N ASN 137.A OD1 no hydrogen 2.993 N/A THR 140.A N ASN 137.A OD1 no hydrogen 3.079 N/A THR 140.A OG1 GLU 142.A OE1 no hydrogen 2.880 N/A GLY 141.A N ASN 137.A O no hydrogen 2.864 N/A GLU 142.A N THR 140.A OG1 no hydrogen 3.393 N/A VAL 144.A N ALA 135.A O no hydrogen 2.875 N/A TRP 145.A NE1 VAL 189.A O no hydrogen 3.009 N/A VAL 147.A N VAL 133.A O no hydrogen 3.076 N/A ASN 149.A N GLY 131.A O no hydrogen 2.905 N/A ASN 149.A ND2 SER 150.A OG no hydrogen 3.089 N/A ASN 149.A ND2 GLY 172.A O no hydrogen 3.600 N/A SER 150.A N GLY 131.A O no hydrogen 3.188 N/A LYS 153.A N ASP 151.A OD1 no hydrogen 2.963 N/A VAL 154.A N ASP 151.A O no hydrogen 3.251 N/A GLY 155.A N ILE 152.A O no hydrogen 3.018 N/A SER 156.A N ASP 151.A O no hydrogen 3.256 N/A THR 157.A N SER 174.A O no hydrogen 3.437 N/A LEU 158.A N LEU 129.A O no hydrogen 3.345 N/A THR 159.A OG1 SER 174.A OG no hydrogen 3.410 N/A TYR 163.A N ILE 170.A O no hydrogen 3.287 N/A VAL 165.A N LYS 168.A O no hydrogen 3.130 N/A LYS 166.A NZ ASN 253.A OD1 no hydrogen 3.399 N/A LYS 166.A NZ ASP 286.A OD2 no hydrogen 2.830 N/A LYS 168.A N VAL 165.A O no hydrogen 2.944 N/A LYS 168.A NZ ASP 286.A OD1 no hydrogen 2.923 N/A VAL 169.A N TYR 187.A O no hydrogen 2.978 N/A ILE 170.A N TYR 163.A O no hydrogen 2.917 N/A ILE 171.A N THR 185.A O no hydrogen 2.892 N/A SER 173.A N ASN 242.A O no hydrogen 2.999 N/A SER 173.A OG TYR 183.A O no hydrogen 2.962 N/A SER 173.A OG ASN 242.A OD1 no hydrogen 3.441 N/A SER 174.A OG THR 159.A OG1 no hydrogen 3.410 N/A LEU 178.A N GLY 175.A O no hydrogen 2.941 N/A GLY 179.A N ALA 176.A O no hydrogen 3.144 N/A VAL 180.A N GLY 175.A O no hydrogen 3.180 N/A ARG 181.A NE THR 201.A O no hydrogen 3.213 N/A ARG 181.A NE THR 201.A OG1 no hydrogen 3.373 N/A ARG 181.A NH2 THR 201.A O no hydrogen 2.945 N/A ARG 181.A NH2 ASP 206.A OD2 no hydrogen 2.945 N/A GLY 182.A N GLY 239.A O no hydrogen 2.926 N/A TYR 183.A OH ASN 149.A O no hydrogen 2.834 N/A LEU 184.A N ALA 198.A O no hydrogen 3.121 N/A THR 185.A N ILE 171.A O no hydrogen 3.022 N/A THR 185.A OG1 ASN 149.A OD1 no hydrogen 3.477 N/A ALA 186.A N TRP 196.A O no hydrogen 3.018 N/A TYR 187.A N VAL 169.A O no hydrogen 3.022 N/A TYR 187.A OH ASN 149.A OD1 no hydrogen 2.710 N/A ASP 188.A N GLU 193.A O no hydrogen 2.946 N/A VAL 189.A N ASP 167.A O no hydrogen 3.036 N/A LYS 190.A N ASP 188.A OD1 no hydrogen 3.004 N/A THR 191.A N ASP 188.A O no hydrogen 3.340 N/A GLY 192.A N ASP 188.A O no hydrogen 3.013 N/A GLU 193.A N THR 191.A OG1 no hydrogen 3.328 N/A VAL 195.A N ALA 186.A O no hydrogen 2.907 N/A TRP 196.A NE1 ALA 285.A O no hydrogen 3.144 N/A ARG 197.A NE THR 185.A OG1 no hydrogen 2.959 N/A ARG 197.A NH2 ASN 149.A OD1 no hydrogen 3.276 N/A ARG 197.A NH2 THR 185.A OG1 no hydrogen 3.137 N/A ALA 198.A N LEU 184.A O no hydrogen 3.052 N/A TYR 199.A N ASP 206.A O no hydrogen 3.069 N/A ALA 200.A N GLY 182.A O no hydrogen 2.972 N/A THR 201.A OG1 TRP 235.A O no hydrogen 2.944 N/A GLY 202.A N GLY 226.A O no hydrogen 2.942 N/A ASP 206.A N PRO 203.A O no hydrogen 2.883 N/A LEU 207.A N PRO 203.A O no hydrogen 3.315 N/A LEU 208.A N ASP 204.A O no hydrogen 3.297 N/A ALA 210.A N ALA 290.A O no hydrogen 3.078 N/A PHE 213.A N ALA 210.A O no hydrogen 3.090 N/A ASN 214.A N LYS 291.A O no hydrogen 3.188 N/A ASN 214.A ND2 GLY 221.A O no hydrogen 3.093 N/A ASN 214.A ND2 GLY 293.A O no hydrogen 3.033 N/A ILE 215.A N ASP 212.A O no hydrogen 3.127 N/A ASN 217.A N ASN 214.A O no hydrogen 3.139 N/A TYR 220.A N ASN 217.A O no hydrogen 3.038 N/A TYR 220.A OH GLY 343.A O no hydrogen 2.856 N/A GLY 221.A N PRO 218.A O no hydrogen 3.134 N/A GLN 222.A NE2 PHE 213.A O no hydrogen 3.336 N/A GLY 224.A N ASP 204.A OD1 no hydrogen 3.186 N/A GLY 224.A N ASP 204.A OD2 no hydrogen 3.080 N/A GLY 228.A N GLY 224.A O no hydrogen 2.954 N/A THR 229.A N LEU 225.A O no hydrogen 3.336 N/A THR 229.A OG1 LEU 225.A O no hydrogen 2.809 N/A TRP 230.A N THR 227.A O no hydrogen 3.360 N/A TRP 230.A NE1 LYS 275.A O no hydrogen 3.033 N/A ALA 234.A N GLU 231.A O no hydrogen 3.421 N/A LYS 236.A N ASP 233.A O no hydrogen 3.032 N/A LYS 236.A NZ ASP 233.A OD2 no hydrogen 3.313 N/A GLY 238.A N TRP 235.A O no hydrogen 3.188 N/A GLY 240.A N ASN 261.A O no hydrogen 2.918 N/A ASN 242.A N SER 173.A OG no hydrogen 3.274 N/A TRP 245.A NE1 GLN 395.A O no hydrogen 2.808 N/A ALA 247.A N TYR 256.A O no hydrogen 3.272 N/A TYR 248.A N TYR 21.A O no hydrogen 3.167 N/A TYR 248.A OH ASN 253.A OD1 no hydrogen 2.848 N/A ASP 249.A N LEU 254.A O no hydrogen 3.313 N/A GLY 251.A N ASP 249.A OD1 no hydrogen 2.873 N/A THR 252.A N ASP 249.A O no hydrogen 3.166 N/A THR 252.A OG1 ASP 249.A O no hydrogen 3.397 N/A THR 252.A OG1 TYR 256.A OH no hydrogen 2.945 N/A ASN 253.A N ASP 249.A O no hydrogen 2.933 N/A ASN 253.A ND2 ASP 284.A OD1 no hydrogen 3.203 N/A ASN 253.A ND2 ASP 286.A OD2 no hydrogen 3.042 N/A LEU 254.A N THR 252.A OG1 no hydrogen 3.255 N/A ILE 255.A N ARG 283.A O no hydrogen 3.061 N/A TYR 256.A N ALA 247.A O no hydrogen 3.022 N/A TYR 256.A OH THR 252.A OG1 no hydrogen 2.945 N/A TYR 256.A OH ARG 340.A O no hydrogen 2.789 N/A PHE 257.A N PHE 281.A O no hydrogen 3.316 N/A THR 259.A N THR 279.A O no hydrogen 3.097 N/A THR 259.A OG1 TRP 276.A O no hydrogen 2.870 N/A GLY 260.A N THR 241.A O no hydrogen 2.925 N/A ASN 261.A ND2 GLU 177.A OE1 no hydrogen 3.158 N/A ASN 261.A ND2 PRO 262.A O no hydrogen 3.498 N/A ALA 263.A N GLY 238.A O no hydrogen 3.318 N/A TRP 265.A N VAL 432.A O no hydrogen 2.947 N/A TRP 265.A NE1 GLU 177.A OE1 no hydrogen 2.908 N/A ASN 266.A ND2 PHE 421.A O no hydrogen 3.003 N/A THR 268.A N ASN 266.A OD1 no hydrogen 3.111 N/A THR 268.A OG1 GLU 267.A OE1 no hydrogen 2.830 N/A MET 269.A N ASN 266.A O no hydrogen 3.229 N/A ARG 270.A N GLU 267.A O no hydrogen 3.311 N/A ARG 270.A NE PRO 264.A O no hydrogen 2.964 N/A ARG 270.A NH1 ASN 274.A OD1 no hydrogen 3.007 N/A ARG 270.A NH1 ASP 300.A O no hydrogen 2.977 N/A ARG 270.A NH2 PRO 264.A O no hydrogen 3.041 N/A ARG 270.A NH2 ASP 300.A O no hydrogen 3.024 N/A ASN 274.A N THR 229.A O no hydrogen 2.998 N/A ASN 274.A ND2 ARG 270.A O no hydrogen 3.264 N/A LYS 275.A N THR 229.A OG1 no hydrogen 2.960 N/A LYS 275.A NZ GLN 295.A OE1 no hydrogen 2.879 N/A TRP 276.A N ALA 200.A O no hydrogen 2.928 N/A THR 277.A N ASN 274.A O no hydrogen 3.383 N/A THR 277.A OG1 ASN 274.A O no hydrogen 2.809 N/A MET 278.A N GLY 260.A O no hydrogen 3.023 N/A THR 279.A N THR 259.A OG1 no hydrogen 3.091 N/A THR 279.A OG1 TRP 276.A O no hydrogen 3.251 N/A THR 279.A OG1 THR 277.A O no hydrogen 3.002 N/A ILE 280.A N TYR 294.A O no hydrogen 2.916 N/A PHE 281.A N PHE 257.A O no hydrogen 2.999 N/A GLY 282.A N PHE 292.A O no hydrogen 3.321 N/A ARG 283.A N ILE 255.A O no hydrogen 3.129 N/A ARG 283.A NH1 LEU 207.A O no hydrogen 3.009 N/A ARG 283.A NH1 LEU 208.A O no hydrogen 3.103 N/A ARG 283.A NH1 GLY 288.A O no hydrogen 2.963 N/A ARG 283.A NH2 LEU 207.A O no hydrogen 2.882 N/A ASP 284.A N GLU 289.A O no hydrogen 3.008 N/A ALA 285.A N ASN 253.A O no hydrogen 3.045 N/A ASP 286.A N ASP 284.A OD2 no hydrogen 2.934 N/A THR 287.A N ASP 284.A OD2 no hydrogen 3.096 N/A THR 287.A OG1 ASP 284.A OD2 no hydrogen 3.529 N/A GLY 288.A N ASP 284.A O no hydrogen 2.930 N/A GLU 289.A N THR 287.A OG1 no hydrogen 3.363 N/A ALA 290.A N LEU 208.A O no hydrogen 3.024 N/A LYS 291.A N GLY 282.A O no hydrogen 2.964 N/A GLY 293.A N ASN 214.A OD1 no hydrogen 3.054 N/A TYR 294.A N ILE 280.A O no hydrogen 3.065 N/A TYR 294.A OH GLY 366.A O no hydrogen 2.721 N/A GLN 295.A NE2 ASP 273.A O no hydrogen 3.074 N/A GLN 295.A NE2 THR 277.A O no hydrogen 3.243 N/A LYS 296.A N MET 278.A O no hydrogen 2.991 N/A LYS 296.A NZ GLY 306.A O no hydrogen 2.857 N/A LYS 296.A NZ ASP 330.A OD1 no hydrogen 2.825 N/A HIS 299.A N ASP 273.A O no hydrogen 3.118 N/A HIS 299.A ND1 GLY 272.A O no hydrogen 2.853 N/A HIS 299.A NE2 GLU 267.A OE2 no hydrogen 2.813 N/A TRP 302.A N ASP 300.A OD1 no hydrogen 3.212 N/A TRP 302.A NE1 TYR 374.A O no hydrogen 3.092 N/A ASP 303.A N ASP 300.A OD2 no hydrogen 2.950 N/A TYR 304.A N ASP 300.A OD1 no hydrogen 3.293 N/A TYR 304.A OH PRO 387.A O no hydrogen 2.824 N/A VAL 307.A N ALA 305.A O no hydrogen 3.012 N/A ASN 308.A ND2 PRO 329.A O no hydrogen 2.958 N/A ASN 308.A ND2 HIS 393.A O no hydrogen 3.236 N/A MET 311.A N THR 327.A O no hydrogen 3.024 N/A LEU 312.A N ASP 22.A O no hydrogen 2.931 N/A SER 313.A N LEU 325.A O no hydrogen 3.275 N/A GLN 315.A N ARG 323.A O no hydrogen 3.213 N/A GLN 315.A NE2 SER 313.A OG no hydrogen 2.913 N/A ASP 317.A N LYS 321.A O no hydrogen 2.966 N/A ASP 319.A N ASP 317.A OD1 no hydrogen 2.861 N/A GLY 320.A N ASP 317.A O no hydrogen 2.989 N/A LYS 321.A N ASP 317.A OD1 no hydrogen 2.999 N/A ARG 323.A N GLN 315.A O no hydrogen 3.017 N/A ARG 323.A NE ASP 339.A OD2 no hydrogen 3.012 N/A ARG 323.A NH1 ASP 317.A OD2 no hydrogen 2.923 N/A ARG 323.A NH2 ASP 339.A OD2 no hydrogen 3.450 N/A LYS 324.A NZ GLU 314.A OE1 no hydrogen 3.546 N/A LYS 324.A NZ GLU 314.A OE2 no hydrogen 3.069 N/A LEU 325.A N SER 313.A O no hydrogen 2.902 N/A LEU 326.A N LEU 338.A O no hydrogen 3.034 N/A THR 327.A N MET 311.A O no hydrogen 2.962 N/A THR 327.A OG1 THR 337.A OG1 no hydrogen 2.969 N/A HIS 328.A N TYR 336.A O no hydrogen 2.977 N/A ASP 330.A N ILE 334.A O no hydrogen 2.982 N/A ARG 331.A NE ALA 389.A O no hydrogen 3.043 N/A ARG 331.A NH2 ASP 303.A O no hydrogen 3.008 N/A ARG 331.A NH2 ALA 389.A O no hydrogen 3.125 N/A ASN 332.A N ASP 330.A OD2 no hydrogen 3.082 N/A ASN 332.A ND2 THR 297.A OG1 no hydrogen 3.155 N/A ASN 332.A ND2 TYR 336.A OH no hydrogen 3.128 N/A GLY 333.A N ASP 330.A O no hydrogen 3.296 N/A ILE 334.A N ASN 332.A OD1 no hydrogen 3.072 N/A VAL 335.A N ASN 349.A O no hydrogen 2.909 N/A TYR 336.A N HIS 328.A O no hydrogen 2.979 N/A THR 337.A N SER 347.A O no hydrogen 2.989 N/A THR 337.A OG1 THR 327.A OG1 no hydrogen 2.969 N/A LEU 338.A N LEU 326.A O no hydrogen 3.097 N/A ASP 339.A N ALA 344.A O no hydrogen 2.874 N/A ARG 340.A N LYS 324.A O no hydrogen 3.057 N/A ARG 340.A NE ASP 249.A OD2 no hydrogen 2.839 N/A ARG 340.A NH1 LEU 325.A O no hydrogen 3.263 N/A ARG 340.A NH2 ASP 249.A OD2 no hydrogen 3.070 N/A ARG 340.A NH2 GLU 314.A OE2 no hydrogen 3.387 N/A THR 341.A N ASP 339.A OD1 no hydrogen 2.869 N/A THR 341.A OG1 ASP 339.A OD1 no hydrogen 2.730 N/A GLY 343.A N ASP 339.A O no hydrogen 2.944 N/A ALA 344.A N ASP 342.A OD1 no hydrogen 3.098 N/A VAL 346.A N THR 337.A O no hydrogen 2.919 N/A SER 347.A N THR 337.A O no hydrogen 3.217 N/A SER 347.A OG ALA 460.A O no hydrogen 2.831 N/A ASN 349.A N VAL 335.A O no hydrogen 3.214 N/A ASN 349.A ND2 TYR 458.A OH no hydrogen 2.959 N/A LYS 350.A NZ VAL 355.A O no hydrogen 3.057 N/A LYS 350.A NZ PHE 358.A O no hydrogen 3.175 N/A LEU 351.A N GLY 333.A O no hydrogen 2.910 N/A THR 354.A N ASP 352.A OD2 no hydrogen 3.247 N/A THR 354.A OG1 ASP 352.A OD2 no hydrogen 2.682 N/A THR 354.A OG1 TYR 392.A OH no hydrogen 2.834 N/A VAL 355.A N ASP 352.A O no hydrogen 3.275 N/A ASN 356.A N CYS 386.A O no hydrogen 3.084 N/A ASN 356.A ND2 ASP 384.A O no hydrogen 3.229 N/A LYS 359.A N VAL 369.A O no hydrogen 2.823 N/A ASP 362.A N GLN 367.A O no hydrogen 3.173 N/A LYS 364.A N ASP 362.A OD1 no hydrogen 2.975 N/A THR 365.A N ASP 362.A OD1 no hydrogen 3.123 N/A GLY 366.A N ASP 362.A O no hydrogen 2.804 N/A GLN 367.A N THR 365.A OG1 no hydrogen 3.318 N/A VAL 369.A N SER 360.A O no hydrogen 2.914 N/A ARG 370.A NH1 PRO 298.A O no hydrogen 2.998 N/A ARG 370.A NH2 PRO 298.A O no hydrogen 3.376 N/A ARG 370.A NH2 HIS 299.A O no hydrogen 2.970 N/A ARG 370.A NH2 GLU 301.A OE1 no hydrogen 2.984 N/A ASP 371.A N VAL 357.A O no hydrogen 3.230 N/A GLU 373.A N ASP 371.A OD1 no hydrogen 3.157 N/A TYR 374.A N ASP 371.A O no hydrogen 3.073 N/A GLY 375.A N PRO 372.A O no hydrogen 3.436 N/A THR 376.A N GLU 301.A OE2 no hydrogen 3.121 N/A THR 376.A OG1 GLU 301.A O no hydrogen 2.742 N/A MET 378.A N THR 268.A OG1 no hydrogen 3.203 N/A ALA 382.A N TRP 418.A O no hydrogen 3.031 N/A ASP 384.A N ASP 417.A OD1 no hydrogen 3.257 N/A ILE 385.A N MET 416.A O no hydrogen 2.958 N/A CYS 386.A N ASN 356.A OD1 no hydrogen 2.941 N/A SER 388.A N ILE 414.A O no hydrogen 3.045 N/A SER 388.A OG ILE 414.A O no hydrogen 3.161 N/A GLY 391.A N SER 388.A O no hydrogen 2.919 N/A TYR 392.A N ARG 331.A O no hydrogen 3.334 N/A TYR 392.A OH THR 354.A OG1 no hydrogen 2.834 N/A HIS 393.A ND1 ASN 394.A O no hydrogen 2.926 N/A HIS 393.A NE2 ASP 398.A OD2 no hydrogen 2.633 N/A HIS 397.A ND1 ASP 398.A O no hydrogen 2.932 N/A HIS 397.A NE2 SER 23.A OG no hydrogen 2.896 N/A SER 399.A OG THR 479.A OG1 no hydrogen 2.937 N/A TYR 400.A N ASN 24.A O no hydrogen 3.015 N/A ASP 401.A N LEU 406.A O no hydrogen 3.112 N/A LYS 403.A N ASP 401.A OD1 no hydrogen 3.097 N/A ARG 404.A N ASP 401.A OD1 no hydrogen 3.120 N/A ARG 404.A NE ASP 502.A OD1 no hydrogen 2.993 N/A ARG 404.A NH1 ASP 401.A OD2 no hydrogen 3.030 N/A ARG 404.A NH1 ASP 485.A OD1 no hydrogen 3.318 N/A ARG 404.A NH2 ASP 485.A OD1 no hydrogen 2.876 N/A ARG 404.A NH2 ASP 502.A OD2 no hydrogen 2.958 N/A GLU 405.A N ASP 401.A O no hydrogen 2.992 N/A PHE 407.A N TYR 458.A O no hydrogen 2.990 N/A PHE 408.A N SER 399.A O no hydrogen 3.012 N/A MET 409.A N LYS 456.A O no hydrogen 2.994 N/A GLY 410.A N ASP 398.A OD1 no hydrogen 3.133 N/A ILE 411.A N GLN 454.A O no hydrogen 2.935 N/A ASN 412.A N TYR 392.A O no hydrogen 2.998 N/A ASN 412.A ND2 MET 390.A O no hydrogen 3.372 N/A ASN 412.A ND2 GLY 391.A O no hydrogen 3.236 N/A HIS 413.A N LEU 452.A O no hydrogen 2.940 N/A CYS 415.A N TYR 439.A O no hydrogen 2.995 N/A CYS 415.A SG TYR 392.A OH no hydrogen 3.532 N/A MET 416.A N ILE 385.A O no hydrogen 3.095 N/A ASP 417.A N ASN 437.A O no hydrogen 2.914 N/A TRP 418.A N ALA 382.A O no hydrogen 2.908 N/A GLU 419.A N THR 435.A O no hydrogen 3.213 N/A PHE 421.A N GLY 433.A O no hydrogen 2.960 N/A GLN 429.A N LYS 426.A O no hydrogen 2.985 N/A PHE 431.A N GLU 177.A O no hydrogen 2.907 N/A THR 435.A N GLU 419.A O no hydrogen 3.052 N/A ASN 437.A N ASP 417.A O no hydrogen 3.164 N/A ASN 437.A ND2 ASP 417.A OD2 no hydrogen 3.376 N/A TYR 439.A N CYS 415.A O no hydrogen 3.212 N/A TYR 439.A OH ASP 417.A OD1 no hydrogen 2.826 N/A GLY 441.A N HIS 413.A O no hydrogen 3.111 N/A LYS 443.A N HIS 413.A NE2 no hydrogen 2.975 N/A LYS 443.A NZ ASP 352.A OD1 no hydrogen 3.024 N/A LYS 443.A NZ ASP 352.A OD2 no hydrogen 3.485 N/A LYS 443.A NZ ASP 353.A OD2 no hydrogen 3.431 N/A GLY 444.A N GLY 441.A O no hydrogen 3.141 N/A ASP 445.A N GLU 450.A O no hydrogen 2.999 N/A ARG 446.A NH2 ASP 384.A OD1 no hydrogen 3.066 N/A GLN 447.A N ASP 445.A OD1 no hydrogen 3.255 N/A ASN 448.A N ASP 445.A OD1 no hydrogen 3.103 N/A TYR 449.A N ASP 445.A O no hydrogen 2.984 N/A GLY 451.A N ARG 472.A O no hydrogen 2.955 N/A LEU 452.A N ARG 472.A O no hydrogen 3.098 N/A GLY 453.A N GLU 471.A O no hydrogen 3.334 N/A GLN 454.A N ILE 411.A O no hydrogen 3.199 N/A ILE 455.A N LYS 469.A O no hydrogen 3.004 N/A LYS 456.A N MET 409.A O no hydrogen 3.213 N/A LYS 456.A NZ LEU 351.A O no hydrogen 2.959 N/A LYS 456.A NZ ASP 352.A OD1 no hydrogen 3.010 N/A LYS 456.A NZ GLU 468.A OE1 no hydrogen 2.779 N/A ALA 457.A N TRP 467.A O no hydrogen 3.152 N/A TYR 458.A N PHE 407.A O no hydrogen 3.006 N/A ASN 459.A N ASP 464.A O no hydrogen 3.113 N/A ASN 459.A ND2 GLU 405.A O no hydrogen 3.583 N/A ILE 461.A N ASN 459.A OD1 no hydrogen 2.929 N/A THR 462.A N ASN 459.A OD1 no hydrogen 2.968 N/A THR 462.A OG1 ASN 459.A OD1 no hydrogen 3.238 N/A GLY 463.A N ASN 459.A O no hydrogen 2.982 N/A ASP 464.A N THR 462.A OG1 no hydrogen 3.379 N/A TYR 465.A OH LYS 350.A O no hydrogen 2.900 N/A LYS 466.A N ALA 457.A O no hydrogen 2.914 N/A TRP 467.A NE1 SER 501.A O no hydrogen 2.955 N/A LYS 469.A N ILE 455.A O no hydrogen 3.025 N/A GLU 471.A N GLY 453.A O no hydrogen 2.945 N/A ARG 472.A NE GLU 450.A OE1 no hydrogen 3.037 N/A ARG 472.A NH1 ASP 493.A OD2 no hydrogen 3.029 N/A VAL 475.A N ILE 411.A O no hydrogen 3.251 N/A THR 479.A N HIS 397.A O no hydrogen 3.065 N/A THR 479.A OG1 SER 399.A OG no hydrogen 2.937 N/A THR 479.A OG1 PHE 408.A O no hydrogen 2.863 N/A MET 480.A N PHE 488.A O no hydrogen 3.067 N/A ALA 481.A N ASN 25.A O no hydrogen 3.232 N/A THR 482.A N LEU 486.A O no hydrogen 3.085 N/A ALA 483.A N SER 27.A O no hydrogen 3.035 N/A GLY 484.A N THR 482.A OG1 no hydrogen 3.215 N/A ASP 485.A N THR 482.A O no hydrogen 3.239 N/A VAL 487.A N ARG 499.A O no hydrogen 3.049 N/A PHE 488.A N MET 480.A O no hydrogen 2.840 N/A TYR 489.A N LYS 497.A O no hydrogen 3.112 N/A TYR 489.A OH GLU 471.A OE2 no hydrogen 2.654 N/A THR 491.A N TYR 495.A O no hydrogen 3.035 N/A THR 491.A OG1 ASP 493.A OD1 no hydrogen 2.803 N/A GLY 494.A N THR 491.A O no hydrogen 3.116 N/A LEU 496.A N PHE 510.A O no hydrogen 3.198 N/A LYS 497.A N TYR 489.A O no hydrogen 2.962 N/A LYS 497.A NZ GLU 471.A OE1 no hydrogen 2.989 N/A LYS 497.A NZ GLU 471.A OE2 no hydrogen 3.090 N/A ALA 498.A N TRP 508.A O no hydrogen 3.091 N/A ARG 499.A N VAL 487.A O no hydrogen 2.997 N/A ARG 499.A NE TYR 489.A OH no hydrogen 2.865 N/A ARG 499.A NH1 GLY 504.A O no hydrogen 2.995 N/A ARG 499.A NH2 GLU 471.A OE2 no hydrogen 3.432 N/A ARG 499.A NH2 TYR 489.A OH no hydrogen 3.418 N/A ASP 500.A N ASP 505.A O no hydrogen 3.029 N/A SER 501.A N ASP 485.A O no hydrogen 3.165 N/A ASP 502.A N ASP 500.A OD1 no hydrogen 2.900 N/A THR 503.A N ASP 500.A OD1 no hydrogen 3.114 N/A GLY 504.A N ASP 500.A O no hydrogen 2.920 N/A ASP 505.A N THR 503.A OG1 no hydrogen 3.305 N/A LEU 507.A N ALA 498.A O no hydrogen 2.969 N/A TRP 508.A NE1 LEU 40.A O no hydrogen 3.113 N/A PHE 510.A N LEU 496.A O no hydrogen 3.063 N/A LYS 511.A NZ ILE 512.A O no hydrogen 2.923 N/A ILE 512.A N GLY 494.A O no hydrogen 3.039 N/A SER 514.A OG GLN 570.A O no hydrogen 2.736 N/A GLY 515.A N THR 569.A OG1 no hydrogen 3.151 N/A ALA 516.A N THR 491.A O no hydrogen 3.044 N/A MET 521.A N ALA 532.A O no hydrogen 3.062 N/A THR 522.A OG1 TYR 530.A O no hydrogen 2.786 N/A TYR 523.A N TYR 530.A O no hydrogen 3.198 N/A THR 524.A N ASP 11.A O no hydrogen 2.974 N/A THR 524.A OG1 ASP 12.A OD2 no hydrogen 2.656 N/A HIS 525.A N THR 528.A O no hydrogen 3.003 N/A HIS 525.A NE2 ASP 81.A OD1 no hydrogen 2.870 N/A THR 528.A N HIS 525.A O no hydrogen 3.196 N/A GLN 529.A N GLN 31.A OE1 no hydrogen 2.979 N/A GLN 529.A NE2 THR 522.A OG1 no hydrogen 3.202 N/A TYR 530.A N TYR 523.A O no hydrogen 2.947 N/A VAL 531.A N PHE 578.A O no hydrogen 3.000 N/A ALA 532.A N MET 521.A O no hydrogen 2.949 N/A ILE 533.A N VAL 576.A O no hydrogen 3.174 N/A TYR 534.A OH HIS 68.A ND1 no hydrogen 3.073 N/A TYR 535.A N GLY 574.A O no hydrogen 2.967 N/A GLY 536.A N GLY 515.A O no hydrogen 2.999 N/A VAL 537.A N SER 514.A OG no hydrogen 3.068 N/A GLY 539.A N ASP 105.A OD2 no hydrogen 2.957 N/A TRP 540.A NE1 GLY 555.A O no hydrogen 2.901 N/A GLY 542.A N GLY 539.A O no hydrogen 3.298 N/A VAL 543.A N TRP 540.A O no hydrogen 3.285 N/A VAL 546.A N GLY 542.A O no hydrogen 2.923 N/A PHE 547.A N VAL 543.A O no hydrogen 2.971 N/A LEU 549.A N GLY 544.A O no hydrogen 3.099 N/A THR 553.A N ASP 551.A OD1 no hydrogen 3.093 N/A THR 553.A OG1 ASP 551.A OD1 no hydrogen 2.806 N/A ALA 554.A N ASP 551.A O no hydrogen 3.051 N/A GLY 557.A N ALA 554.A O no hydrogen 3.059 N/A ALA 558.A N GLY 555.A O no hydrogen 3.090 N/A VAL 559.A N ALA 554.A O no hydrogen 3.380 N/A GLY 560.A N PRO 552.A O no hydrogen 3.168 N/A PHE 562.A N ALA 558.A O no hydrogen 3.294 N/A LYS 563.A N GLY 560.A O no hydrogen 3.365 N/A LYS 564.A NZ ASN 448.A O no hydrogen 2.762 N/A LEU 565.A N PHE 562.A O no hydrogen 3.081 N/A ASN 567.A N LYS 564.A O no hydrogen 3.116 N/A TYR 568.A N LEU 565.A O no hydrogen 3.057 N/A TYR 568.A OH GLU 450.A OE2 no hydrogen 2.721 N/A THR 569.A N LEU 565.A O no hydrogen 3.308 N/A THR 569.A OG1 GLN 570.A O no hydrogen 3.361 N/A GLN 570.A NE2 ALA 566.A O no hydrogen 3.404 N/A GLN 570.A NE2 THR 569.A O no hydrogen 3.124 N/A GLY 574.A N TYR 535.A O no hydrogen 3.167 N/A VAL 575.A N PHE 46.A O no hydrogen 2.884 N/A VAL 576.A N ILE 533.A O no hydrogen 3.160 N/A VAL 577.A N TRP 44.A O no hydrogen 3.117 N/A PHE 578.A N VAL 531.A O no hydrogen 2.856 N/A SER 579.A N ARG 41.A O no hydrogen 3.168 N/A SER 579.A OG LYS 583.A O no hydrogen 2.797 N/A ASP 581.A N GLN 39.A O no hydrogen 2.962 N/A GLY 582.A N SER 579.A O no hydrogen 3.091 N/A LYS 583.A N LEU 580.A O no hydrogen 3.446 N/A GLY 584.A N ASP 587.A OD1 no hydrogen 3.074 N/A TYR 586.A OH ASP 82.A OD1 no hydrogen 2.680 N/A ASP 587.A N GLY 584.A O no hydrogen 3.461 N/A ASN 590.A N ASP 588.A OD1 no hydrogen 3.075 N/A ASN 590.A ND2 ASP 588.A OD1 no hydrogen 3.225 N/A VAL 591.A N ASP 588.A O no hydrogen 3.220 N/A GLU 593.A N ASN 590.A O no hydrogen 3.368 N/A