Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4rku_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N ILE 7.A O no hydrogen 2.937 N/A SER 4.A N GLY 1.A O no hydrogen 3.272 N/A ALA 8.A N SER 4.A O no hydrogen 2.532 N/A LYS 9.A N ARG 5.A O no hydrogen 2.736 N/A THR 14.A N GLN 684.A O no hydrogen 3.287 N/A THR 14.A OG1 ARG 686.A O no hydrogen 3.435 N/A TRP 16.A NE1 ILE 7.A O no hydrogen 2.939 N/A ILE 17.A N THR 14.A O no hydrogen 3.055 N/A ASN 19.A N THR 15.A O no hydrogen 2.933 N/A LEU 20.A N TRP 16.A O no hydrogen 3.037 N/A HIS 21.A ND1 ILE 17.A O no hydrogen 2.671 N/A ALA 22.A N TRP 18.A O no hydrogen 3.216 N/A ASP 23.A N ASN 19.A O no hydrogen 3.072 N/A ALA 24.A N HIS 21.A O no hydrogen 3.296 N/A PHE 27.A N HIS 25.A O no hydrogen 2.691 N/A ASP 28.A N ASP 28.A OD1 no hydrogen 2.530 N/A SER 29.A N ASP 26.A O no hydrogen 3.137 N/A SER 29.A OG ASP 26.A O no hydrogen 2.721 N/A HIS 30.A N PHE 27.A O no hydrogen 3.314 N/A ILE 37.A N ASP 33.A O no hydrogen 3.106 N/A SER 38.A N LEU 34.A O no hydrogen 2.914 N/A SER 38.A OG LEU 34.A O no hydrogen 2.628 N/A ARG 39.A N GLU 35.A O no hydrogen 2.956 N/A ARG 39.A NE PRO 154.A O no hydrogen 2.977 N/A LYS 40.A N GLU 36.A O no hydrogen 3.025 N/A LYS 40.A NZ GLU 36.A OE1 no hydrogen 3.378 N/A VAL 41.A N ILE 37.A O no hydrogen 2.935 N/A PHE 42.A N SER 38.A O no hydrogen 3.044 N/A SER 43.A N ARG 39.A O no hydrogen 3.369 N/A SER 43.A OG GLY 145.A O no hydrogen 3.185 N/A ALA 44.A N LYS 40.A O no hydrogen 3.047 N/A HIS 45.A N VAL 41.A O no hydrogen 3.009 N/A GLY 47.A N SER 43.A O no hydrogen 3.168 N/A GLN 48.A N ALA 44.A O no hydrogen 2.957 N/A GLN 48.A NE2 GLN 48.A O no hydrogen 3.030 N/A LEU 49.A N HIS 45.A O no hydrogen 2.895 N/A SER 50.A N PHE 46.A O no hydrogen 2.949 N/A SER 50.A OG ALA 138.A O no hydrogen 3.140 N/A ILE 51.A N GLY 47.A O no hydrogen 3.348 N/A ILE 52.A N GLN 48.A O no hydrogen 3.124 N/A PHE 53.A N LEU 49.A O no hydrogen 2.894 N/A LEU 54.A N SER 50.A O no hydrogen 2.798 N/A TRP 55.A N ILE 51.A O no hydrogen 2.801 N/A LEU 56.A N ILE 52.A O no hydrogen 2.878 N/A SER 57.A N PHE 53.A O no hydrogen 3.025 N/A SER 57.A OG ALA 131.A O no hydrogen 2.679 N/A GLY 58.A N LEU 54.A O no hydrogen 3.135 N/A MET 59.A N TRP 55.A O no hydrogen 3.294 N/A MET 59.A N LEU 56.A O no hydrogen 3.095 N/A TYR 60.A N LEU 56.A O no hydrogen 3.054 N/A PHE 61.A N SER 57.A O no hydrogen 2.855 N/A HIS 62.A N GLY 58.A O no hydrogen 2.968 N/A GLY 63.A N MET 59.A O no hydrogen 3.163 N/A ALA 64.A N TYR 60.A O no hydrogen 3.024 N/A ALA 64.A N PHE 61.A O no hydrogen 2.946 N/A ARG 65.A N PHE 61.A O no hydrogen 2.965 N/A PHE 66.A N HIS 62.A O no hydrogen 2.893 N/A SER 67.A OG HIS 62.A O no hydrogen 2.645 N/A ASN 68.A ND2 ARG 80.A O no hydrogen 3.675 N/A ASN 68.A ND2 GLY 100.A O no hydrogen 3.130 N/A TYR 69.A OH ILE 121.A O no hydrogen 2.813 N/A TRP 72.A N ASN 68.A O no hydrogen 2.834 N/A LEU 73.A N TYR 69.A O no hydrogen 2.885 N/A LEU 73.A N GLU 70.A O no hydrogen 3.106 N/A ASN 74.A ND2 ASP 201.A OD2 no hydrogen 2.596 N/A ARG 80.A N VAL 99.A O no hydrogen 2.697 N/A ARG 80.A NE GLN 107.A OE1 no hydrogen 3.037 N/A ARG 80.A NH2 ILE 718.A O no hydrogen 2.816 N/A SER 82.A N ASN 68.A OD1 no hydrogen 3.415 N/A SER 82.A OG ILE 106.A O no hydrogen 2.728 N/A VAL 86.A N ASN 96.A OD1 no hydrogen 3.188 N/A ILE 89.A N TRP 87.A O no hydrogen 2.850 N/A GLN 92.A N ILE 89.A O no hydrogen 2.681 N/A GLN 92.A NE2 TRP 87.A O no hydrogen 2.701 N/A GLU 93.A N GLU 93.A OE1 no hydrogen 2.503 N/A LEU 95.A N GLN 92.A O no hydrogen 2.913 N/A ASN 96.A N GLU 93.A O no hydrogen 3.122 N/A ASN 96.A ND2 VAL 86.A O no hydrogen 2.965 N/A GLY 97.A N GLY 105.A O no hydrogen 3.438 N/A GLY 100.A N ASP 98.A OD1 no hydrogen 3.121 N/A ILE 108.A N PRO 81.A O no hydrogen 2.721 N/A GLN 114.A NE2 TYR 347.A O no hydrogen 3.317 N/A GLN 114.A NE2 ASP 351.A OD2 no hydrogen 2.867 N/A ILE 115.A N GLY 111.A O no hydrogen 3.090 N/A TRP 116.A N PHE 112.A O no hydrogen 2.764 N/A ARG 117.A N PHE 113.A O no hydrogen 3.239 N/A ARG 117.A NH1 LEU 73.A O no hydrogen 3.480 N/A ALA 118.A N GLN 114.A O no hydrogen 3.304 N/A SER 119.A N ILE 115.A O no hydrogen 3.038 N/A SER 119.A OG ILE 115.A O no hydrogen 3.086 N/A GLY 120.A N ARG 117.A O no hydrogen 3.107 N/A ILE 121.A N TRP 116.A O no hydrogen 3.019 N/A THR 122.A N GLN 126.A OE1 no hydrogen 2.671 N/A THR 122.A OG1 GLN 126.A OE1 no hydrogen 3.146 N/A SER 123.A N GLN 126.A OE1 no hydrogen 3.479 N/A GLU 124.A N GLU 70.A OE2 no hydrogen 3.427 N/A LEU 125.A N SER 123.A OG no hydrogen 3.187 N/A GLN 126.A N SER 123.A O no hydrogen 3.066 N/A LEU 127.A N SER 123.A O no hydrogen 3.261 N/A TYR 128.A N GLU 124.A O no hydrogen 2.690 N/A CYS 129.A N LEU 125.A O no hydrogen 3.170 N/A CYS 129.A SG LEU 125.A O no hydrogen 3.196 N/A THR 130.A N GLN 126.A O no hydrogen 3.252 N/A THR 130.A OG1 GLN 126.A O no hydrogen 2.604 N/A ALA 131.A N LEU 127.A O no hydrogen 3.098 N/A ILE 132.A N TYR 128.A O no hydrogen 3.306 N/A GLY 133.A N CYS 129.A O no hydrogen 2.884 N/A ALA 134.A N THR 130.A O no hydrogen 3.084 N/A LEU 135.A N ALA 131.A O no hydrogen 3.064 N/A VAL 136.A N ILE 132.A O no hydrogen 2.814 N/A PHE 137.A N GLY 133.A O no hydrogen 3.108 N/A ALA 138.A N ALA 134.A O no hydrogen 2.823 N/A GLY 139.A N LEU 135.A O no hydrogen 2.908 N/A LEU 140.A N VAL 136.A O no hydrogen 3.194 N/A MET 141.A N PHE 137.A O no hydrogen 2.913 N/A LEU 142.A N ALA 138.A O no hydrogen 3.219 N/A PHE 143.A N GLY 139.A O no hydrogen 3.171 N/A ALA 144.A N LEU 140.A O no hydrogen 2.705 N/A GLY 145.A N MET 141.A O no hydrogen 3.329 N/A PHE 147.A N PHE 143.A O no hydrogen 3.091 N/A HIS 148.A N ALA 144.A O no hydrogen 3.160 N/A HIS 150.A N TRP 146.A O no hydrogen 3.292 N/A ALA 152.A N PHE 147.A O no hydrogen 2.795 N/A LYS 155.A NZ GLU 35.A OE1 no hydrogen 3.451 N/A LEU 156.A N GLU 35.A OE2 no hydrogen 2.539 N/A TRP 158.A N LYS 155.A O no hydrogen 3.134 N/A GLN 160.A N LEU 156.A O no hydrogen 3.169 N/A GLN 160.A NE2 THR 314.A O no hydrogen 3.525 N/A VAL 162.A N GLN 160.A O no hydrogen 2.644 N/A GLU 163.A N GLU 163.A OE1 no hydrogen 2.789 N/A SER 164.A OG ASP 161.A O no hydrogen 2.782 N/A MET 165.A N ASP 161.A O no hydrogen 3.442 N/A LEU 166.A N VAL 162.A O no hydrogen 2.814 N/A ASN 167.A N GLU 163.A O no hydrogen 3.075 N/A ASN 167.A ND2 GLU 163.A O no hydrogen 2.188 N/A HIS 168.A N SER 164.A O no hydrogen 3.377 N/A HIS 168.A ND1 SER 164.A O no hydrogen 2.263 N/A HIS 169.A N MET 165.A O no hydrogen 3.060 N/A LEU 170.A N LEU 166.A O no hydrogen 3.224 N/A ALA 171.A N HIS 168.A O no hydrogen 2.836 N/A GLY 172.A N HIS 168.A O no hydrogen 2.311 N/A LEU 173.A N HIS 168.A O no hydrogen 3.252 N/A LEU 174.A N HIS 169.A O no hydrogen 3.249 N/A LEU 176.A N ALA 171.A O no hydrogen 2.961 N/A SER 178.A N LEU 174.A O no hydrogen 2.796 N/A SER 178.A OG HIS 266.A O no hydrogen 2.862 N/A LEU 179.A N GLY 175.A O no hydrogen 2.823 N/A SER 180.A N LEU 176.A O no hydrogen 2.655 N/A SER 180.A OG LEU 176.A O no hydrogen 2.420 N/A TRP 181.A N GLY 177.A O no hydrogen 3.190 N/A ALA 182.A N SER 178.A O no hydrogen 2.933 N/A ARG 183.A N LEU 179.A O no hydrogen 3.148 N/A ARG 183.A N SER 180.A O no hydrogen 3.179 N/A HIS 184.A N SER 180.A O no hydrogen 3.393 N/A GLN 185.A N TRP 181.A O no hydrogen 3.250 N/A HIS 187.A N ARG 183.A O no hydrogen 3.161 N/A VAL 188.A N HIS 184.A O no hydrogen 2.705 N/A SER 189.A N HIS 184.A O no hydrogen 3.009 N/A SER 189.A OG ALA 118.A O no hydrogen 2.553 N/A LEU 190.A N GLN 185.A O no hydrogen 2.478 N/A ILE 192.A N VAL 188.A O no hydrogen 3.083 N/A ASN 193.A N SER 189.A O no hydrogen 2.957 N/A ASN 193.A ND2 ARG 117.A O no hydrogen 2.395 N/A ASN 193.A ND2 SER 189.A O no hydrogen 3.508 N/A GLN 194.A N LEU 190.A O no hydrogen 3.079 N/A GLN 194.A NE2 GLN 194.A O no hydrogen 3.579 N/A PHE 195.A N PRO 191.A O no hydrogen 3.276 N/A LEU 196.A N ILE 192.A O no hydrogen 2.957 N/A ASN 197.A N ASN 193.A O no hydrogen 2.851 N/A ALA 198.A N PHE 195.A O no hydrogen 2.781 N/A GLY 199.A N LEU 196.A O no hydrogen 3.243 N/A LYS 203.A N ASP 201.A OD1 no hydrogen 2.877 N/A GLU 204.A N ASP 201.A O no hydrogen 3.009 N/A ILE 205.A N PRO 202.A O no hydrogen 3.007 N/A GLU 210.A N LEU 207.A O no hydrogen 2.916 N/A PHE 211.A N PRO 208.A O no hydrogen 3.115 N/A LEU 213.A N HIS 209.A O no hydrogen 3.254 N/A ALA 219.A N ASP 216.A O no hydrogen 3.385 N/A SER 224.A N ASP 242.A OD2 no hydrogen 2.756 N/A PHE 225.A N TYR 222.A O no hydrogen 3.247 N/A ALA 226.A N PRO 223.A O no hydrogen 3.256 N/A THR 230.A OG1 ALA 229.A O no hydrogen 2.327 N/A THR 234.A OG1 PRO 231.A O no hydrogen 2.402 N/A LEU 235.A N PHE 232.A O no hydrogen 2.895 N/A ASN 236.A N THR 234.A OG1 no hydrogen 3.411 N/A SER 238.A OG ASN 236.A O no hydrogen 3.392 N/A ALA 241.A N SER 238.A O no hydrogen 3.470 N/A PHE 243.A N TYR 240.A O no hydrogen 3.259 N/A THR 245.A N THR 260.A O no hydrogen 2.731 N/A THR 245.A OG1 ASP 261.A OD1 no hydrogen 3.061 N/A GLY 248.A N ASP 261.A OD2 no hydrogen 2.500 N/A ASP 251.A N GLY 256.A O no hydrogen 3.170 N/A LEU 253.A N ASP 251.A OD1 no hydrogen 2.810 N/A GLY 255.A N ASP 251.A O no hydrogen 2.812 N/A LEU 257.A N PRO 343.A O no hydrogen 2.574 N/A ASP 261.A N TRP 258.A O no hydrogen 2.736 N/A ILE 262.A N TRP 258.A O no hydrogen 3.250 N/A ALA 263.A N LEU 259.A O no hydrogen 3.192 N/A HIS 265.A N ASP 261.A O no hydrogen 2.880 N/A HIS 266.A N ILE 262.A O no hydrogen 3.003 N/A LEU 267.A N ALA 263.A O no hydrogen 2.999 N/A ALA 268.A N HIS 264.A O no hydrogen 3.041 N/A ILE 269.A N HIS 265.A O no hydrogen 2.787 N/A ALA 270.A N HIS 266.A O no hydrogen 2.717 N/A LEU 272.A N ALA 268.A O no hydrogen 2.935 N/A PHE 273.A N ILE 269.A O no hydrogen 2.870 N/A PHE 273.A N ALA 270.A O no hydrogen 3.037 N/A LEU 274.A N ALA 270.A O no hydrogen 2.754 N/A ILE 275.A N ILE 271.A O no hydrogen 2.665 N/A ALA 276.A N LEU 272.A O no hydrogen 3.338 N/A HIS 278.A N ILE 275.A O no hydrogen 2.738 N/A TYR 280.A N ASN 167.A OD1 no hydrogen 3.085 N/A ARG 281.A N HIS 288.A O no hydrogen 2.440 N/A ILE 286.A N TRP 284.A O no hydrogen 3.007 N/A HIS 288.A ND1 MET 279.A O no hydrogen 2.455 N/A LYS 291.A NZ GLU 311.A OE1 no hydrogen 2.470 N/A LYS 291.A NZ GLU 311.A OE2 no hydrogen 2.977 N/A ASP 292.A N GLY 289.A O no hydrogen 2.861 N/A ILE 293.A N GLY 289.A O no hydrogen 3.130 N/A LEU 294.A N ILE 290.A O no hydrogen 3.027 N/A GLU 295.A N LYS 291.A O no hydrogen 3.356 N/A ALA 296.A N ASP 292.A O no hydrogen 3.202 N/A HIS 297.A ND1 ILE 293.A O no hydrogen 2.984 N/A GLY 299.A N GLY 303.A O no hydrogen 3.095 N/A THR 302.A OG1 GLN 304.A O no hydrogen 3.274 N/A GLY 303.A N GLY 299.A O no hydrogen 2.480 N/A LEU 309.A N HIS 306.A O no hydrogen 3.000 N/A TYR 310.A OH GLU 163.A OE1 no hydrogen 3.339 N/A TYR 310.A OH GLU 163.A OE2 no hydrogen 3.130 N/A ILE 312.A N GLY 308.A O no hydrogen 3.333 N/A LEU 313.A N LEU 309.A O no hydrogen 2.905 N/A THR 314.A OG1 TYR 310.A O no hydrogen 2.174 N/A THR 315.A N ILE 312.A O no hydrogen 3.360 N/A THR 315.A OG1 GLU 311.A O no hydrogen 2.435 N/A SER 316.A OG ASP 384.A OD2 no hydrogen 2.612 N/A TRP 317.A NE1 SER 38.A OG no hydrogen 3.078 N/A HIS 318.A ND1 HIS 376.A ND1 no hydrogen 3.167 N/A HIS 318.A NE2 ASP 28.A OD2 no hydrogen 2.871 N/A GLN 320.A NE2 LEU 313.A O no hydrogen 3.360 N/A LEU 321.A N TRP 317.A O no hydrogen 2.748 N/A SER 322.A N HIS 318.A O no hydrogen 3.087 N/A SER 322.A OG ALA 373.A O no hydrogen 2.595 N/A ILE 323.A N ALA 319.A O no hydrogen 3.466 N/A ASN 324.A N GLN 320.A O no hydrogen 3.069 N/A LEU 325.A N LEU 321.A O no hydrogen 2.876 N/A ALA 326.A N SER 322.A O no hydrogen 2.932 N/A MET 327.A N ILE 323.A O no hydrogen 3.313 N/A MET 327.A N ASN 324.A O no hydrogen 3.334 N/A LEU 328.A N ASN 324.A O no hydrogen 2.798 N/A GLY 329.A N LEU 325.A O no hydrogen 3.204 N/A SER 330.A N ALA 326.A O no hydrogen 3.342 N/A SER 330.A OG ALA 326.A O no hydrogen 2.504 N/A LEU 331.A N MET 327.A O no hydrogen 2.517 N/A THR 332.A N LEU 328.A O no hydrogen 3.092 N/A THR 332.A OG1 LEU 328.A O no hydrogen 2.519 N/A ILE 333.A N GLY 329.A O no hydrogen 3.226 N/A VAL 334.A N SER 330.A O no hydrogen 3.275 N/A VAL 335.A N LEU 331.A O no hydrogen 2.977 N/A ALA 336.A N THR 332.A O no hydrogen 3.163 N/A GLN 337.A N ILE 333.A O no hydrogen 3.234 N/A HIS 338.A N VAL 335.A O no hydrogen 3.226 N/A MET 339.A N VAL 335.A O no hydrogen 3.103 N/A MET 342.A N HIS 338.A O no hydrogen 3.067 N/A TYR 347.A N THR 254.A O no hydrogen 2.726 N/A TYR 352.A OH VAL 490.A O no hydrogen 2.463 N/A THR 354.A N ASP 351.A O no hydrogen 3.216 N/A THR 354.A OG1 ASP 351.A OD2 no hydrogen 2.280 N/A GLN 355.A N ASP 351.A O no hydrogen 3.265 N/A GLN 355.A NE2 MET 339.A O no hydrogen 3.610 N/A LEU 356.A N TYR 352.A O no hydrogen 3.115 N/A SER 357.A OG THR 109.A O no hydrogen 3.246 N/A SER 357.A OG ALA 353.A O no hydrogen 2.884 N/A SER 357.A OG THR 354.A O no hydrogen 2.815 N/A LEU 358.A N THR 354.A O no hydrogen 2.796 N/A PHE 359.A N GLN 355.A O no hydrogen 3.039 N/A THR 360.A N LEU 356.A O no hydrogen 3.074 N/A THR 360.A OG1 LEU 356.A O no hydrogen 2.326 N/A HIS 361.A N SER 357.A O no hydrogen 3.019 N/A HIS 361.A ND1 HIS 362.A ND1 no hydrogen 2.946 N/A HIS 362.A N LEU 358.A O no hydrogen 3.087 N/A MET 363.A N PHE 359.A O no hydrogen 3.195 N/A TRP 364.A N THR 360.A O no hydrogen 3.387 N/A ILE 365.A N HIS 361.A O no hydrogen 3.186 N/A GLY 366.A N HIS 362.A O no hydrogen 2.951 N/A GLY 367.A N MET 363.A O no hydrogen 2.924 N/A PHE 368.A N TRP 364.A O no hydrogen 2.765 N/A LEU 369.A N ILE 365.A O no hydrogen 3.198 N/A ILE 370.A N GLY 366.A O no hydrogen 3.405 N/A VAL 371.A N GLY 367.A O no hydrogen 3.387 N/A GLY 372.A N PHE 368.A O no hydrogen 3.024 N/A ALA 373.A N LEU 369.A O no hydrogen 3.153 N/A ALA 373.A N ILE 370.A O no hydrogen 3.130 N/A ALA 374.A N VAL 371.A O no hydrogen 3.097 N/A ALA 375.A N VAL 371.A O no hydrogen 3.424 N/A HIS 376.A N GLY 372.A O no hydrogen 3.268 N/A HIS 376.A ND1 HIS 318.A ND1 no hydrogen 3.167 N/A ALA 377.A N ALA 373.A O no hydrogen 3.068 N/A ALA 378.A N ALA 374.A O no hydrogen 3.115 N/A ILE 379.A N ALA 375.A O no hydrogen 2.777 N/A PHE 380.A N HIS 376.A O no hydrogen 2.908 N/A MET 381.A N ALA 377.A O no hydrogen 3.345 N/A VAL 382.A N ALA 378.A O no hydrogen 3.177 N/A ARG 383.A N ILE 379.A O no hydrogen 2.877 N/A ARG 383.A NH1 ASP 26.A OD1 no hydrogen 2.814 N/A ARG 383.A NH1 ASP 28.A OD2 no hydrogen 2.579 N/A ARG 383.A NH2 ASP 26.A OD2 no hydrogen 3.113 N/A ASP 384.A N PHE 380.A O no hydrogen 2.822 N/A THR 388.A N ASP 386.A OD1 no hydrogen 3.028 N/A THR 388.A OG1 ASP 386.A OD1 no hydrogen 2.680 N/A THR 388.A OG1 THR 389.A OG1 no hydrogen 3.268 N/A THR 389.A OG1 THR 388.A OG1 no hydrogen 3.268 N/A ARG 390.A N ASP 386.A O no hydrogen 2.915 N/A TYR 391.A OH ASP 393.A OD1 no hydrogen 2.488 N/A ARG 397.A NE ASP 393.A O no hydrogen 3.271 N/A ARG 397.A NH2 ASP 393.A OD2 no hydrogen 3.326 N/A VAL 398.A N ASP 396.A O no hydrogen 2.486 N/A LEU 399.A N LEU 395.A O no hydrogen 3.188 N/A HIS 401.A N ARG 397.A O no hydrogen 2.437 N/A HIS 401.A ND1 ARG 397.A O no hydrogen 2.019 N/A ALA 404.A N HIS 401.A O no hydrogen 3.238 N/A ILE 405.A N HIS 401.A O no hydrogen 3.378 N/A ILE 406.A N ARG 402.A O no hydrogen 3.339 N/A SER 407.A OG ASP 403.A O no hydrogen 2.829 N/A SER 407.A OG ALA 404.A O no hydrogen 2.562 N/A SER 407.A OG HIS 408.A ND1 no hydrogen 3.254 N/A HIS 408.A N ALA 404.A O no hydrogen 3.034 N/A HIS 408.A ND1 ALA 404.A O no hydrogen 2.330 N/A LEU 409.A N ILE 405.A O no hydrogen 3.007 N/A ASN 410.A N ILE 406.A O no hydrogen 2.734 N/A TRP 411.A N SER 407.A O no hydrogen 3.233 N/A VAL 412.A N HIS 408.A O no hydrogen 3.014 N/A CYS 413.A N LEU 409.A O no hydrogen 3.348 N/A CYS 413.A SG LEU 409.A O no hydrogen 3.126 N/A PHE 415.A N TRP 411.A O no hydrogen 2.891 N/A LEU 416.A N VAL 412.A O no hydrogen 2.711 N/A GLY 417.A N CYS 413.A O no hydrogen 2.745 N/A PHE 418.A N ILE 414.A O no hydrogen 3.079 N/A HIS 419.A N PHE 415.A O no hydrogen 3.002 N/A SER 420.A OG LEU 416.A O no hydrogen 2.619 N/A SER 420.A OG HIS 506.A O no hydrogen 2.742 N/A PHE 421.A N GLY 417.A O no hydrogen 3.050 N/A GLY 422.A N PHE 418.A O no hydrogen 3.041 N/A LEU 423.A N SER 420.A O no hydrogen 3.332 N/A TYR 424.A N PHE 421.A O no hydrogen 3.144 N/A ILE 425.A N PHE 421.A O no hydrogen 3.201 N/A HIS 426.A N GLY 422.A O no hydrogen 2.872 N/A HIS 426.A NE2 ASP 438.A O no hydrogen 3.203 N/A ASN 427.A N LEU 423.A O no hydrogen 2.976 N/A ASN 427.A ND2 PHE 440.A O no hydrogen 3.612 N/A ASN 427.A ND2 ILE 610.A O no hydrogen 3.003 N/A ASP 428.A N TYR 424.A O no hydrogen 2.857 N/A THR 429.A N ILE 425.A O no hydrogen 3.280 N/A THR 429.A N HIS 426.A O no hydrogen 3.040 N/A THR 429.A OG1 ILE 425.A O no hydrogen 2.574 N/A MET 430.A N HIS 426.A O no hydrogen 2.875 N/A SER 431.A N ASN 427.A O no hydrogen 3.036 N/A ALA 432.A N ASP 428.A O no hydrogen 3.401 N/A LEU 433.A N THR 429.A O no hydrogen 3.116 N/A GLY 434.A N SER 431.A O no hydrogen 3.243 N/A ARG 435.A N MET 430.A O no hydrogen 2.719 N/A GLN 437.A N GLN 437.A OE1 no hydrogen 2.076 N/A PHE 440.A N ASN 427.A OD1 no hydrogen 2.629 N/A SER 441.A N ILE 445.A O no hydrogen 3.086 N/A THR 443.A N SER 441.A OG no hydrogen 3.380 N/A ALA 444.A N SER 441.A O no hydrogen 3.236 N/A GLN 446.A NE2 ASP 442.A O no hydrogen 2.959 N/A GLN 448.A NE2 ASP 442.A OD2 no hydrogen 3.240 N/A GLN 453.A N PRO 449.A O no hydrogen 3.055 N/A GLN 453.A NE2 LEU 497.A O no hydrogen 2.348 N/A TRP 454.A N VAL 450.A O no hydrogen 2.934 N/A TRP 454.A N PHE 451.A O no hydrogen 3.190 N/A ILE 455.A N PHE 451.A O no hydrogen 3.132 N/A GLN 456.A N ALA 452.A O no hydrogen 3.159 N/A GLN 456.A NE2 ILE 495.A O no hydrogen 3.393 N/A ASN 457.A N GLN 453.A O no hydrogen 3.242 N/A THR 458.A N TRP 454.A O no hydrogen 3.239 N/A THR 458.A OG1 ILE 455.A O no hydrogen 2.810 N/A HIS 459.A N ILE 455.A O no hydrogen 3.232 N/A HIS 459.A N GLN 456.A O no hydrogen 3.152 N/A ALA 460.A N GLN 456.A O no hydrogen 3.126 N/A LEU 461.A N ASN 457.A O no hydrogen 3.334 N/A GLY 464.A N ALA 467.A O no hydrogen 2.799 N/A THR 465.A OG1 LEU 461.A O no hydrogen 2.322 N/A THR 465.A OG1 ALA 462.A O no hydrogen 3.160 N/A THR 466.A N THR 465.A OG1 no hydrogen 2.522 N/A ALA 470.A N ALA 467.A O no hydrogen 3.225 N/A THR 471.A OG1 ARG 247.A O no hydrogen 3.199 N/A ALA 472.A N ARG 247.A O no hydrogen 3.296 N/A SER 473.A OG SER 475.A O no hydrogen 3.043 N/A SER 475.A OG SER 341.A OG no hydrogen 3.228 N/A TRP 478.A N SER 475.A O no hydrogen 2.870 N/A GLY 479.A N LEU 476.A O no hydrogen 3.161 N/A LYS 489.A N VAL 486.A O no hydrogen 3.251 N/A VAL 490.A N GLY 589.A O no hydrogen 3.158 N/A ALA 491.A N VAL 484.A O no hydrogen 3.199 N/A ILE 495.A N THR 477.A OG1 no hydrogen 3.425 N/A GLY 498.A N ASP 501.A OD2 no hydrogen 2.730 N/A THR 499.A N ASP 442.A OD2 no hydrogen 3.318 N/A THR 499.A OG1 ASP 442.A OD1 no hydrogen 2.843 N/A ASP 501.A N GLY 498.A O no hydrogen 2.950 N/A PHE 502.A N GLY 498.A O no hydrogen 3.030 N/A PHE 502.A N THR 499.A O no hydrogen 3.137 N/A LEU 503.A N THR 499.A O no hydrogen 3.287 N/A HIS 505.A ND1 ASP 501.A O no hydrogen 2.544 N/A HIS 506.A N LEU 503.A O no hydrogen 3.084 N/A HIS 506.A ND1 PHE 502.A O no hydrogen 2.591 N/A ILE 507.A N VAL 504.A O no hydrogen 3.158 N/A HIS 508.A N VAL 504.A O no hydrogen 3.264 N/A HIS 508.A N HIS 505.A O no hydrogen 3.241 N/A ALA 509.A N HIS 505.A O no hydrogen 3.041 N/A PHE 510.A N HIS 506.A O no hydrogen 3.391 N/A THR 511.A N ILE 507.A O no hydrogen 2.985 N/A ILE 512.A N HIS 508.A O no hydrogen 3.242 N/A HIS 513.A N ALA 509.A O no hydrogen 3.137 N/A VAL 514.A N PHE 510.A O no hydrogen 2.989 N/A THR 515.A N THR 511.A O no hydrogen 3.234 N/A THR 515.A OG1 THR 511.A O no hydrogen 2.548 N/A VAL 516.A N ILE 512.A O no hydrogen 2.979 N/A LEU 517.A N HIS 513.A O no hydrogen 2.864 N/A ILE 518.A N VAL 514.A O no hydrogen 2.982 N/A LEU 519.A N THR 515.A O no hydrogen 3.249 N/A LEU 520.A N VAL 516.A O no hydrogen 2.754 N/A LYS 521.A N LEU 517.A O no hydrogen 2.906 N/A VAL 523.A N LEU 519.A O no hydrogen 3.300 N/A VAL 523.A N LEU 520.A O no hydrogen 3.310 N/A LEU 524.A N LEU 520.A O no hydrogen 3.217 N/A PHE 525.A N LYS 521.A O no hydrogen 3.239 N/A ARG 527.A NH1 MET 381.A O no hydrogen 2.642 N/A SER 529.A N ILE 532.A O no hydrogen 2.888 N/A LYS 535.A NZ PHE 525.A O no hydrogen 2.603 N/A LYS 535.A NZ VAL 555.A O no hydrogen 2.956 N/A ALA 536.A N ARG 527.A O no hydrogen 2.839 N/A ASN 537.A N ASP 534.A O no hydrogen 3.247 N/A LEU 538.A N LYS 535.A O no hydrogen 2.942 N/A GLY 539.A N ALA 536.A O no hydrogen 3.319 N/A ARG 541.A NH2 ASP 23.A OD1 no hydrogen 2.419 N/A ARG 549.A NH1 ASP 545.A O no hydrogen 3.476 N/A GLY 551.A N GLY 548.A O no hydrogen 2.896 N/A THR 552.A N GLY 546.A O no hydrogen 3.334 N/A THR 552.A OG1 GLY 546.A O no hydrogen 2.596 N/A TRP 558.A N PHE 540.A O no hydrogen 3.349 N/A TRP 558.A N SER 556.A OG no hydrogen 3.130 N/A HIS 560.A N SER 556.A O no hydrogen 3.356 N/A HIS 560.A N ALA 557.A O no hydrogen 3.229 N/A HIS 560.A ND1 SER 556.A O no hydrogen 2.582 N/A VAL 561.A N ALA 557.A O no hydrogen 3.241 N/A PHE 562.A N TRP 558.A O no hydrogen 2.952 N/A LEU 563.A N ASP 559.A O no hydrogen 2.864 N/A GLY 564.A N HIS 560.A O no hydrogen 2.996 N/A LEU 565.A N PHE 562.A O no hydrogen 3.404 N/A MET 568.A N GLY 564.A O no hydrogen 3.080 N/A TYR 569.A N LEU 565.A O no hydrogen 3.306 N/A TYR 569.A N PHE 566.A O no hydrogen 3.037 N/A ASN 570.A N PHE 566.A O no hydrogen 2.793 N/A SER 571.A N TRP 567.A O no hydrogen 2.786 N/A SER 571.A OG TRP 567.A O no hydrogen 3.310 N/A SER 571.A OG MET 568.A O no hydrogen 2.461 N/A ILE 572.A N MET 568.A O no hydrogen 3.150 N/A SER 573.A N TYR 569.A O no hydrogen 2.895 N/A SER 573.A OG TYR 569.A O no hydrogen 2.591 N/A VAL 574.A N SER 571.A O no hydrogen 2.888 N/A VAL 575.A N ILE 572.A O no hydrogen 2.472 N/A ILE 576.A N ILE 572.A O no hydrogen 2.959 N/A HIS 578.A N VAL 574.A O no hydrogen 3.332 N/A PHE 579.A N VAL 575.A O no hydrogen 2.933 N/A SER 580.A N ILE 576.A O no hydrogen 3.013 N/A TRP 581.A N PHE 577.A O no hydrogen 3.253 N/A TRP 581.A NE1 ASN 604.A OD1 no hydrogen 3.311 N/A LYS 582.A N HIS 578.A O no hydrogen 3.111 N/A LYS 582.A NZ PRO 496.A O no hydrogen 3.272 N/A LYS 582.A NZ ASP 501.A OD1 no hydrogen 3.174 N/A LYS 582.A NZ ASP 501.A OD2 no hydrogen 3.244 N/A LYS 582.A NZ ASP 586.A OD2 no hydrogen 2.923 N/A MET 583.A N PHE 579.A O no hydrogen 3.076 N/A GLN 584.A N SER 580.A O no hydrogen 3.137 N/A GLN 584.A NE2 SER 580.A O no hydrogen 3.278 N/A GLN 584.A NE2 GLN 623.A OE1 no hydrogen 2.952 N/A SER 585.A N TRP 581.A O no hydrogen 2.811 N/A SER 585.A OG ASP 586.A OD1 no hydrogen 3.272 N/A SER 585.A OG ASN 604.A OD1 no hydrogen 3.263 N/A ASP 586.A N LYS 582.A O no hydrogen 2.989 N/A VAL 587.A N MET 583.A O no hydrogen 3.097 N/A TRP 588.A N MET 583.A O no hydrogen 2.631 N/A GLY 589.A N TYR 352.A OH no hydrogen 3.433 N/A SER 590.A N THR 598.A O no hydrogen 3.130 N/A SER 590.A OG THR 598.A OG1 no hydrogen 3.245 N/A ILE 591.A N ASN 488.A O no hydrogen 3.254 N/A ASN 592.A N VAL 596.A O no hydrogen 3.157 N/A THR 598.A N SER 590.A O no hydrogen 3.148 N/A THR 598.A OG1 SER 590.A OG no hydrogen 3.245 N/A HIS 599.A ND1 TRP 588.A O no hydrogen 3.202 N/A ILE 600.A N TRP 588.A O no hydrogen 3.355 N/A THR 601.A N GLN 584.A O no hydrogen 3.499 N/A GLY 603.A N SER 585.A O no hydrogen 3.011 N/A PHE 605.A N SER 585.A OG no hydrogen 3.073 N/A SER 608.A N ASN 604.A O no hydrogen 3.131 N/A SER 608.A OG ASP 618.A OD2 no hydrogen 3.133 N/A SER 609.A N PHE 605.A O no hydrogen 3.107 N/A SER 609.A OG PHE 605.A O no hydrogen 2.367 N/A THR 611.A OG1 ASP 428.A OD2 no hydrogen 3.124 N/A ILE 612.A N ASP 428.A OD1 no hydrogen 2.586 N/A ILE 612.A N ASP 428.A OD2 no hydrogen 3.227 N/A ASN 613.A N ASP 428.A OD2 no hydrogen 3.078 N/A TRP 615.A N ILE 612.A O no hydrogen 3.011 N/A TRP 615.A NE1 SER 609.A O no hydrogen 3.038 N/A LEU 616.A N ILE 612.A O no hydrogen 3.144 N/A ARG 617.A N ASN 613.A O no hydrogen 2.993 N/A ARG 617.A NE ASP 618.A OD1 no hydrogen 2.069 N/A ARG 617.A NH2 ASP 618.A OD2 no hydrogen 2.271 N/A ASP 618.A N GLY 614.A O no hydrogen 3.143 N/A LEU 620.A N TRP 615.A O no hydrogen 2.927 N/A TRP 621.A N LEU 616.A O no hydrogen 3.314 N/A ALA 622.A N ARG 617.A O no hydrogen 3.021 N/A GLN 623.A N PHE 619.A O no hydrogen 3.155 N/A SER 625.A OG ALA 622.A O no hydrogen 2.392 N/A SER 625.A OG GLN 626.A OE1 no hydrogen 3.058 N/A ILE 628.A N ALA 624.A O no hydrogen 3.220 N/A GLN 629.A N GLN 626.A O no hydrogen 3.240 N/A SER 630.A OG VAL 627.A O no hydrogen 2.898 N/A SER 630.A OG LEU 635.A O no hydrogen 3.050 N/A SER 633.A N SER 630.A O no hydrogen 3.364 N/A SER 633.A OG SER 630.A O no hydrogen 2.474 N/A SER 634.A OG LEU 95.A O no hydrogen 3.246 N/A SER 636.A OG SER 630.A O no hydrogen 3.547 N/A SER 636.A OG SER 633.A O no hydrogen 2.303 N/A LEU 640.A N SER 636.A O no hydrogen 3.260 N/A PHE 641.A N ALA 637.A O no hydrogen 2.840 N/A PHE 642.A N TYR 638.A O no hydrogen 2.980 N/A LEU 643.A N GLY 639.A O no hydrogen 3.316 N/A GLY 644.A N LEU 640.A O no hydrogen 2.621 N/A ALA 645.A N PHE 641.A O no hydrogen 2.922 N/A HIS 646.A ND1 PHE 642.A O no hydrogen 2.667 N/A VAL 648.A N GLY 644.A O no hydrogen 3.308 N/A TRP 649.A N ALA 645.A O no hydrogen 3.093 N/A ALA 650.A N HIS 646.A O no hydrogen 3.359 N/A PHE 651.A N PHE 647.A O no hydrogen 2.799 N/A SER 652.A N TRP 649.A O no hydrogen 3.029 N/A SER 652.A OG TRP 649.A O no hydrogen 2.417 N/A PHE 655.A N SER 652.A O no hydrogen 2.922 N/A LEU 656.A N SER 652.A O no hydrogen 3.015 N/A PHE 657.A N LEU 653.A O no hydrogen 3.022 N/A SER 658.A OG MET 654.A O no hydrogen 2.619 N/A ARG 660.A NE LEU 688.A O no hydrogen 2.678 N/A ARG 660.A NH2 ALA 687.A O no hydrogen 3.301 N/A GLN 664.A N ARG 660.A O no hydrogen 2.966 N/A GLU 665.A N GLY 661.A O no hydrogen 3.429 N/A LEU 666.A N TYR 662.A O no hydrogen 3.035 N/A ILE 667.A N TRP 663.A O no hydrogen 2.923 N/A GLU 668.A N GLN 664.A O no hydrogen 3.182 N/A ILE 670.A N LEU 666.A O no hydrogen 3.311 N/A VAL 671.A N ILE 667.A O no hydrogen 2.656 N/A TRP 672.A N GLU 668.A O no hydrogen 3.152 N/A ALA 673.A N SER 669.A O no hydrogen 3.395 N/A HIS 674.A N ILE 670.A O no hydrogen 3.226 N/A HIS 674.A ND1 ILE 670.A O no hydrogen 2.500 N/A ASN 675.A N VAL 671.A O no hydrogen 2.868 N/A ASN 675.A ND2 VAL 671.A O no hydrogen 3.082 N/A LYS 676.A N TRP 672.A O no hydrogen 3.054 N/A LEU 677.A N HIS 674.A O no hydrogen 2.973 N/A VAL 679.A N HIS 674.A O no hydrogen 2.880 N/A GLN 684.A N ASP 12.A O no hydrogen 3.304 N/A ARG 686.A N THR 14.A OG1 no hydrogen 3.309 N/A ALA 687.A N GLN 664.A OE1 no hydrogen 2.770 N/A GLN 692.A N SER 689.A OG no hydrogen 3.152 N/A GLY 693.A N SER 689.A O no hydrogen 3.023 N/A ARG 694.A N VAL 691.A O no hydrogen 3.082 N/A ALA 695.A N VAL 691.A O no hydrogen 2.998 N/A VAL 696.A N GLN 692.A O no hydrogen 2.607 N/A GLY 697.A N GLY 693.A O no hydrogen 3.097 N/A VAL 698.A N ARG 694.A O no hydrogen 2.984 N/A THR 699.A N ALA 695.A O no hydrogen 3.272 N/A THR 699.A OG1 ALA 695.A O no hydrogen 3.053 N/A THR 699.A OG1 VAL 696.A O no hydrogen 2.700 N/A THR 699.A OG1 HIS 700.A ND1 no hydrogen 2.899 N/A HIS 700.A N VAL 696.A O no hydrogen 3.387 N/A HIS 700.A ND1 THR 699.A OG1 no hydrogen 2.899 N/A TYR 701.A N GLY 697.A O no hydrogen 3.108 N/A LEU 702.A N VAL 698.A O no hydrogen 2.839 N/A LEU 703.A N THR 699.A O no hydrogen 2.859 N/A GLY 704.A N HIS 700.A O no hydrogen 2.886 N/A GLY 705.A N TYR 701.A O no hydrogen 3.012 N/A ILE 706.A N LEU 702.A O no hydrogen 2.725 N/A ALA 707.A N LEU 703.A O no hydrogen 2.787 N/A THR 708.A N GLY 704.A O no hydrogen 3.171 N/A THR 708.A OG1 GLY 704.A O no hydrogen 1.904 N/A THR 709.A N ILE 706.A O no hydrogen 2.931 N/A TRP 710.A N ILE 706.A O no hydrogen 3.177 N/A ALA 711.A N ALA 707.A O no hydrogen 3.214 N/A PHE 713.A N THR 709.A O no hydrogen 2.558 N/A LEU 714.A N TRP 710.A O no hydrogen 3.038 N/A ALA 715.A N ALA 711.A O no hydrogen 3.377 N/A ARG 716.A N PHE 712.A O no hydrogen 3.203 N/A ARG 716.A NE GLN 584.A OE1 no hydrogen 3.149 N/A ARG 716.A NH1 GLN 626.A OE1 no hydrogen 2.883 N/A ARG 716.A NH2 GLN 584.A OE1 no hydrogen 3.526 N/A ILE 717.A N PHE 713.A O no hydrogen 3.131 N/A ALA 719.A N ALA 715.A O no hydrogen 3.449 N/A VAL 720.A N ARG 716.A O no hydrogen 3.132 N/A GLY 721.A N ILE 717.A O no hydrogen 2.576 N/A