Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ibe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N MET 1.A O no hydrogen 3.030 N/A GLN 9.A N SER 5.A O no hydrogen 2.724 N/A GLN 11.A N ALA 7.A O no hydrogen 2.870 N/A LEU 12.A N PHE 8.A O no hydrogen 2.756 N/A THR 13.A N GLN 9.A O no hydrogen 2.966 N/A THR 13.A OG1 GLN 9.A O no hydrogen 2.957 N/A ALA 14.A N GLN 11.A O no hydrogen 2.994 N/A LEU 15.A N GLN 11.A O no hydrogen 3.288 N/A GLY 17.A N THR 13.A O no hydrogen 3.118 N/A THR 21.A N ASP 19.A OD1 no hydrogen 3.183 N/A THR 21.A OG1 ASP 19.A OD1 no hydrogen 2.847 N/A THR 21.A OG1 ASP 19.A OD2 no hydrogen 2.951 N/A ASP 22.A N ASP 19.A O no hydrogen 2.951 N/A SER 24.A N ASP 22.A OD1 no hydrogen 2.695 N/A SER 24.A OG ASP 22.A OD1 no hydrogen 2.763 N/A SER 24.A OG ASP 22.A OD2 no hydrogen 3.069 N/A ASN 25.A ND2 THR 288.A O no hydrogen 2.921 N/A GLU 30.A N ASP 28.A OD1 no hydrogen 3.011 N/A PHE 33.A N ASP 29.A O no hydrogen 2.597 N/A THR 34.A N GLU 30.A O no hydrogen 2.940 N/A THR 34.A OG1 GLU 30.A O no hydrogen 2.735 N/A ARG 35.A N LEU 31.A O no hydrogen 2.959 N/A ARG 35.A NE GLU 493.A OE1 no hydrogen 3.414 N/A ARG 35.A NE GLU 493.A OE2 no hydrogen 3.277 N/A ARG 35.A NH1 GLU 32.A OE1 no hydrogen 2.685 N/A ARG 35.A NH1 GLU 32.A OE2 no hydrogen 3.546 N/A ARG 35.A NH2 GLU 493.A OE2 no hydrogen 3.026 N/A ARG 36.A N GLU 32.A O no hydrogen 3.003 N/A GLY 37.A N PHE 33.A O no hydrogen 2.981 N/A LEU 38.A N THR 34.A O no hydrogen 3.172 N/A VAL 39.A N ARG 36.A O no hydrogen 3.503 N/A ARG 42.A N LEU 38.A O no hydrogen 3.249 N/A ARG 42.A NE GLU 165.A OE1 no hydrogen 3.244 N/A ARG 42.A NE GLU 165.A OE2 no hydrogen 2.703 N/A ARG 42.A NH2 GLU 165.A OE1 no hydrogen 2.899 N/A MET 43.A N VAL 39.A O no hydrogen 2.971 N/A ALA 44.A N THR 40.A O no hydrogen 2.683 N/A GLU 45.A N PRO 41.A O no hydrogen 3.234 N/A GLU 45.A N ARG 42.A O no hydrogen 2.874 N/A VAL 46.A N ARG 42.A O no hydrogen 2.886 N/A ALA 47.A N MET 43.A O no hydrogen 2.936 N/A SER 48.A N GLU 45.A O no hydrogen 3.287 N/A ARG 49.A N GLU 45.A O no hydrogen 2.927 N/A ARG 49.A NH1 LEU 461.A O no hydrogen 2.926 N/A ARG 49.A NH1 GLY 498.A O no hydrogen 2.845 N/A ARG 49.A NH2 GLY 498.A O no hydrogen 2.842 N/A LEU 53.A N ASP 50.A OD2 no hydrogen 3.200 N/A TYR 54.A N ASP 50.A O no hydrogen 3.020 N/A TYR 54.A N PRO 51.A O no hydrogen 3.246 N/A TYR 54.A OH CYS 499.A O no hydrogen 2.661 N/A ALA 55.A N PRO 51.A O no hydrogen 3.172 N/A ALA 55.A N LYS 52.A O no hydrogen 3.202 N/A MET 56.A N LYS 52.A O no hydrogen 3.225 N/A HIS 57.A NE2 ASP 122.A O no hydrogen 3.015 N/A TRP 59.A NE1 ASP 429.A OD1 no hydrogen 3.023 N/A THR 61.A N ASN 133.A O no hydrogen 2.996 N/A THR 61.A OG1 GLU 427.A OE1 no hydrogen 3.360 N/A SER 62.A N GLU 427.A OE1 no hydrogen 3.125 N/A LYS 63.A N THR 61.A OG1 no hydrogen 2.829 N/A LYS 63.A NZ GLU 427.A OE1 no hydrogen 2.975 N/A LYS 63.A NZ ASP 429.A OD2 no hydrogen 3.437 N/A TRP 70.A N GLU 67.A O no hydrogen 3.183 N/A LYS 71.A N TYR 68.A O no hydrogen 3.191 N/A ILE 73.A N TRP 70.A O no hydrogen 2.563 N/A ASN 76.A ND2 SER 94.A OG no hydrogen 3.390 N/A ILE 78.A N VAL 93.A O no hydrogen 2.778 N/A ILE 80.A N ILE 91.A O no hydrogen 3.213 N/A VAL 81.A N ILE 147.A O no hydrogen 3.401 N/A HIS 83.A N VAL 149.A O no hydrogen 3.050 N/A HIS 83.A NE2 HIS 148.A ND1 no hydrogen 2.926 N/A GLN 89.A N ILE 82.A O no hydrogen 3.287 N/A SER 94.A N ASP 97.A OD2 no hydrogen 3.266 N/A ASP 97.A N SER 94.A O no hydrogen 2.905 N/A ALA 101.A N THR 98.A OG1 no hydrogen 2.898 N/A ILE 102.A N PRO 99.A O no hydrogen 2.859 N/A LEU 103.A N PRO 99.A O no hydrogen 3.240 N/A LEU 103.A N GLY 100.A O no hydrogen 3.115 N/A GLN 104.A N GLY 100.A O no hydrogen 3.148 N/A PHE 107.A N LEU 103.A O no hydrogen 3.011 N/A THR 108.A OG1 GLN 104.A O no hydrogen 3.161 N/A THR 108.A OG1 SER 105.A O no hydrogen 3.442 N/A LYS 109.A N PHE 106.A O no hydrogen 3.181 N/A VAL 115.A N ASP 152.A O no hydrogen 3.112 N/A ARG 117.A N VAL 150.A O no hydrogen 3.281 N/A ARG 117.A NE VAL 118.A O no hydrogen 3.237 N/A ARG 117.A NH2 VAL 118.A O no hydrogen 3.548 N/A ARG 117.A NH2 ASP 594.A OD2 no hydrogen 3.190 N/A VAL 118.A N GLU 123.A O no hydrogen 2.738 N/A CYS 119.A N HIS 148.A O no hydrogen 3.435 N/A ARG 121.A N VAL 118.A O no hydrogen 3.471 N/A ARG 121.A NH1 ASP 563.A OD1 no hydrogen 3.394 N/A ARG 121.A NH2 ASP 563.A OD1 no hydrogen 3.190 N/A ARG 121.A NH2 ASP 563.A OD2 no hydrogen 2.874 N/A ASP 122.A N GLY 565.A O no hydrogen 2.984 N/A LEU 125.A N LEU 116.A O no hydrogen 2.875 N/A THR 129.A N GLY 127.A O no hydrogen 3.109 N/A ILE 131.A N ASP 97.A O no hydrogen 2.781 N/A LYS 132.A N PRO 95.A O no hydrogen 3.093 N/A LYS 132.A NZ ASP 96.A OD2 no hydrogen 3.281 N/A ASN 133.A N PRO 130.A O no hydrogen 3.000 N/A PHE 134.A N ILE 131.A O no hydrogen 3.449 N/A GLN 135.A N TRP 59.A O no hydrogen 3.126 N/A VAL 137.A N PHE 134.A O no hydrogen 3.211 N/A ARG 138.A N PHE 134.A O no hydrogen 2.983 N/A ARG 138.A NE LYS 132.A O no hydrogen 2.973 N/A ARG 138.A NH2 LYS 63.A O no hydrogen 2.842 N/A ARG 138.A NH2 ASN 133.A OD1 no hydrogen 3.145 N/A CYS 140.A N TRP 136.A O no hydrogen 3.283 N/A CYS 140.A SG TRP 136.A O no hydrogen 3.333 N/A LEU 141.A N VAL 137.A O no hydrogen 3.174 N/A LYS 142.A N ARG 138.A O no hydrogen 3.206 N/A LYS 142.A NZ ASP 636.A OD1 no hydrogen 3.338 N/A ASN 143.A N HIS 139.A O no hydrogen 2.952 N/A GLY 144.A N LEU 141.A O no hydrogen 2.972 N/A GLU 145.A N CYS 140.A O no hydrogen 2.715 N/A HIS 148.A ND1 HIS 83.A NE2 no hydrogen 2.926 N/A VAL 150.A N ARG 117.A O no hydrogen 2.833 N/A ASP 152.A N VAL 115.A O no hydrogen 3.485 N/A LEU 159.A N ASP 156.A O no hydrogen 3.012 N/A ASP 160.A N PRO 157.A O no hydrogen 3.010 N/A CYS 171.A N TRP 169.A O no hydrogen 2.911 N/A PHE 175.A N ILE 228.A O no hydrogen 3.232 N/A ARG 176.A NE ASP 303.A OD2 no hydrogen 2.816 N/A VAL 177.A N LEU 224.A O no hydrogen 3.044 N/A LYS 178.A N LEU 301.A O no hydrogen 3.068 N/A ARG 180.A N SER 299.A O no hydrogen 3.147 N/A ARG 180.A NE GLU 268.A OE2 no hydrogen 2.759 N/A ILE 182.A N VAL 218.A O no hydrogen 3.058 N/A ILE 184.A N GLU 216.A O no hydrogen 3.046 N/A THR 190.A N GLY 246.A O no hydrogen 3.157 N/A THR 190.A OG1 GLY 246.A O no hydrogen 2.622 N/A VAL 191.A N LYS 212.A O no hydrogen 2.926 N/A VAL 193.A N THR 209.A OG1 no hydrogen 3.087 N/A GLU 194.A N GLN 242.A O no hydrogen 2.786 N/A ALA 195.A N ARG 207.A O no hydrogen 3.250 N/A ASN 196.A N ASN 240.A O no hydrogen 3.079 N/A ASN 196.A ND2 GLU 194.A OE1 no hydrogen 3.278 N/A ASN 196.A ND2 ASN 240.A OD1 no hydrogen 3.137 N/A ILE 197.A N CYS 205.A O no hydrogen 2.910 N/A GLN 198.A N LEU 238.A O no hydrogen 2.793 N/A HIS 199.A N GLN 202.A O no hydrogen 3.036 N/A GLN 202.A N HIS 199.A O no hydrogen 3.279 N/A LEU 204.A N ILE 197.A O no hydrogen 3.002 N/A CYS 205.A SG SER 227.A OG no hydrogen 2.833 N/A ARG 207.A N ALA 195.A O no hydrogen 3.171 N/A THR 209.A OG1 VAL 193.A O no hydrogen 3.384 N/A LYS 212.A NZ LEU 219.A O no hydrogen 3.086 N/A PHE 214.A N LEU 189.A O no hydrogen 3.174 N/A THR 215.A N PRO 213.A O no hydrogen 3.096 N/A THR 215.A OG1 GLU 217.A O no hydrogen 2.438 N/A VAL 218.A N ILE 182.A O no hydrogen 3.185 N/A TRP 220.A NE1 SER 210.A O no hydrogen 2.744 N/A ASN 221.A N ARG 180.A O no hydrogen 3.221 N/A LEU 224.A N VAL 177.A O no hydrogen 3.033 N/A PHE 226.A N PHE 175.A O no hydrogen 3.240 N/A ILE 230.A N ARG 173.A O no hydrogen 3.133 N/A ASP 232.A N LYS 229.A O no hydrogen 3.466 N/A ALA 237.A N PRO 234.A O no hydrogen 2.958 N/A LEU 238.A N GLN 198.A O no hydrogen 2.916 N/A LEU 239.A N LEU 255.A O no hydrogen 2.740 N/A ASN 240.A N ASN 196.A O no hydrogen 2.859 N/A ASN 240.A ND2 VAL 253.A O no hydrogen 3.476 N/A ASN 240.A ND2 ASN 254.A OD1 no hydrogen 3.029 N/A LEU 241.A N VAL 253.A O no hydrogen 3.041 N/A GLN 242.A N GLU 194.A O no hydrogen 3.031 N/A ILE 243.A N TYR 251.A O no hydrogen 3.055 N/A TYR 244.A N PHE 192.A O no hydrogen 3.106 N/A TYR 244.A OH GLU 194.A OE1 no hydrogen 2.884 N/A TYR 244.A OH GLN 242.A OE1 no hydrogen 2.743 N/A CYS 245.A N ARG 248.A O no hydrogen 2.807 N/A GLY 246.A N THR 190.A O no hydrogen 2.980 N/A ARG 248.A N CYS 245.A O no hydrogen 2.994 N/A LEU 250.A N ILE 243.A O no hydrogen 3.098 N/A TYR 252.A N TRP 274.A O no hydrogen 3.235 N/A TYR 252.A OH HIS 483.A NE2 no hydrogen 3.250 N/A VAL 253.A N LEU 241.A O no hydrogen 2.851 N/A ASN 254.A ND2 LYS 283.A O no hydrogen 2.948 N/A ASN 254.A ND2 THR 285.A O no hydrogen 3.041 N/A LEU 255.A N LEU 239.A O no hydrogen 2.899 N/A LEU 257.A N ALA 237.A O no hydrogen 3.087 N/A ASP 259.A N LEU 263.A O no hydrogen 2.917 N/A HIS 260.A NE2 ASP 29.A OD2 no hydrogen 3.157 N/A ARG 261.A NH2 ASP 29.A OD1 no hydrogen 2.859 N/A PHE 262.A N ASP 259.A O no hydrogen 3.081 N/A LEU 264.A N ILE 307.A O no hydrogen 2.944 N/A ARG 265.A NH2 ASP 28.A OD2 no hydrogen 2.928 N/A GLY 267.A N LEU 302.A O no hydrogen 2.716 N/A TYR 269.A N ILE 300.A O no hydrogen 3.170 N/A LEU 271.A N ILE 298.A O no hydrogen 2.754 N/A MET 273.A N MET 296.A O no hydrogen 3.076 N/A TRP 274.A N TYR 252.A O no hydrogen 3.016 N/A TRP 274.A NE1 ALA 287.A O no hydrogen 3.011 N/A ILE 276.A N LEU 250.A O no hydrogen 3.368 N/A PHE 279.A N THR 801.A O no hydrogen 2.797 N/A ALA 281.A N MET 795.A O no hydrogen 3.126 N/A ASP 282.A N ASN 280.A OD1 no hydrogen 3.373 N/A LYS 283.A N ASN 280.A O no hydrogen 3.086 N/A LEU 284.A N ALA 281.A O no hydrogen 3.353 N/A THR 285.A OG1 HIS 483.A O no hydrogen 2.641 N/A ALA 287.A N THR 285.A OG1 no hydrogen 3.060 N/A THR 288.A OG1 ASN 25.A OD1 no hydrogen 3.033 N/A ASN 289.A N HIS 272.A O no hydrogen 2.807 N/A ASN 289.A ND2 MET 273.A O no hydrogen 3.236 N/A ASP 291.A N ASN 289.A OD1 no hydrogen 3.230 N/A LYS 292.A NZ SER 24.A O no hydrogen 3.165 N/A LYS 292.A NZ ASN 25.A OD1 no hydrogen 3.425 N/A ASN 294.A N ASP 291.A OD1 no hydrogen 3.256 N/A SER 295.A N ASP 291.A O no hydrogen 3.215 N/A SER 295.A OG ASP 291.A O no hydrogen 3.090 N/A SER 297.A OG ASP 183.A O no hydrogen 2.857 N/A SER 297.A OG SER 295.A O no hydrogen 3.520 N/A SER 299.A N GLY 181.A O no hydrogen 3.073 N/A ILE 300.A N TYR 269.A O no hydrogen 3.238 N/A LEU 301.A N LYS 178.A O no hydrogen 2.967 N/A LEU 302.A N GLY 267.A O no hydrogen 2.748 N/A LEU 309.A N PHE 262.A O no hydrogen 3.014 N/A LYS 328.A N ASN 324.A O no hydrogen 2.900 N/A GLN 329.A NE2 GLN 325.A OE1 no hydrogen 3.329 N/A LEU 330.A N LEU 326.A O no hydrogen 2.716 N/A GLU 331.A N ARG 327.A O no hydrogen 2.920 N/A ALA 332.A N LYS 328.A O no hydrogen 3.007 N/A ALA 332.A N GLN 329.A O no hydrogen 3.231 N/A ILE 333.A N GLN 329.A O no hydrogen 3.080 N/A ILE 334.A N LEU 330.A O no hydrogen 3.082 N/A ALA 335.A N ALA 332.A O no hydrogen 3.210 N/A THR 336.A N ILE 333.A O no hydrogen 2.916 N/A THR 336.A OG1 ILE 333.A O no hydrogen 3.138 N/A ASN 340.A N ASP 337.A O no hydrogen 2.840 N/A ASN 340.A ND2 THR 336.A OG1 no hydrogen 3.009 N/A THR 343.A N ASP 346.A OD2 no hydrogen 3.467 N/A GLU 345.A N THR 343.A OG1 no hydrogen 3.224 N/A ASP 346.A N THR 343.A OG1 no hydrogen 3.087 N/A LYS 347.A N THR 343.A O no hydrogen 3.073 N/A GLU 348.A N ALA 344.A O no hydrogen 3.071 N/A LEU 349.A N GLU 345.A O no hydrogen 2.869 N/A LEU 350.A N ASP 346.A O no hydrogen 2.835 N/A TRP 351.A N LYS 347.A O no hydrogen 2.883 N/A HIS 352.A N GLU 348.A O no hydrogen 2.786 N/A PHE 353.A N LEU 349.A O no hydrogen 3.169 N/A ARG 354.A N TRP 351.A O no hydrogen 3.190 N/A GLU 356.A N PHE 353.A O no hydrogen 2.967 N/A SER 357.A N PHE 353.A O no hydrogen 3.259 N/A SER 357.A OG LEU 350.A O no hydrogen 3.458 N/A SER 357.A OG PHE 353.A O no hydrogen 2.955 N/A ALA 363.A N HIS 360.A O no hydrogen 2.920 N/A TYR 364.A N PRO 361.A O no hydrogen 3.248 N/A TYR 364.A OH LEU 358.A O no hydrogen 3.142 N/A LYS 366.A NZ THR 336.A OG1 no hydrogen 2.954 N/A LYS 366.A NZ ASP 337.A O no hydrogen 3.537 N/A LEU 367.A N ALA 363.A O no hydrogen 2.840 N/A LEU 367.A N TYR 364.A O no hydrogen 3.237 N/A PHE 368.A N TYR 364.A O no hydrogen 2.913 N/A SER 369.A OG PRO 365.A O no hydrogen 3.305 N/A SER 370.A N LEU 367.A O no hydrogen 2.824 N/A SER 370.A OG LYS 366.A O no hydrogen 2.964 N/A GLN 376.A N ASP 232.A OD1 no hydrogen 2.874 N/A VAL 379.A N GLN 375.A O no hydrogen 3.012 N/A LYS 381.A N GLU 377.A O no hydrogen 3.216 N/A THR 382.A N ILE 378.A O no hydrogen 2.966 N/A THR 382.A OG1 ILE 378.A O no hydrogen 3.047 N/A TYR 383.A N VAL 379.A O no hydrogen 3.090 N/A TYR 383.A OH ASP 412.A OD2 no hydrogen 3.020 N/A GLN 384.A N ALA 380.A O no hydrogen 2.912 N/A LEU 385.A N THR 382.A O no hydrogen 2.772 N/A LEU 386.A N THR 382.A O no hydrogen 3.060 N/A ARG 388.A N LEU 385.A O no hydrogen 2.917 N/A ARG 389.A NE ASP 393.A OD1 no hydrogen 3.295 N/A GLU 390.A N ARG 388.A O no hydrogen 2.751 N/A TRP 392.A NE1 ILE 418.A O no hydrogen 3.108 N/A ASP 393.A N ARG 389.A O no hydrogen 3.401 N/A GLN 394.A N GLU 390.A O no hydrogen 3.170 N/A SER 395.A N TRP 392.A O no hydrogen 2.821 N/A SER 395.A OG TRP 392.A O no hydrogen 2.818 N/A LEU 401.A N ASP 398.A OD1 no hydrogen 3.429 N/A THR 402.A N ASP 398.A O no hydrogen 3.119 N/A THR 402.A OG1 ASP 398.A O no hydrogen 3.128 N/A MET 403.A N VAL 399.A O no hydrogen 3.020 N/A GLN 404.A N GLY 400.A O no hydrogen 3.263 N/A GLN 404.A NE2 GLY 400.A O no hydrogen 3.512 N/A LEU 405.A N LEU 401.A O no hydrogen 3.275 N/A LEU 405.A N THR 402.A O no hydrogen 3.014 N/A LEU 406.A N MET 403.A O no hydrogen 2.780 N/A ASP 407.A N GLN 404.A O no hydrogen 3.248 N/A CYS 408.A SG GLN 201.A OE1 no hydrogen 3.280 N/A ASN 409.A N ASP 407.A OD1 no hydrogen 2.790 N/A PHE 410.A N ASP 407.A O no hydrogen 3.466 N/A VAL 415.A N ASP 412.A O no hydrogen 2.868 N/A VAL 415.A N ASP 412.A OD1 no hydrogen 3.002 N/A ARG 416.A NE PHE 410.A O no hydrogen 2.980 N/A ARG 416.A NH2 LEU 406.A O no hydrogen 2.692 N/A ARG 416.A NH2 ASP 407.A O no hydrogen 2.967 N/A ARG 416.A NH2 PHE 410.A O no hydrogen 3.312 N/A ALA 417.A N GLU 413.A O no hydrogen 3.110 N/A ILE 418.A N VAL 415.A O no hydrogen 2.798 N/A ALA 419.A N VAL 415.A O no hydrogen 3.347 N/A VAL 420.A N ARG 416.A O no hydrogen 3.018 N/A GLN 421.A N ALA 417.A O no hydrogen 3.051 N/A GLN 421.A NE2 ASP 393.A OD1 no hydrogen 2.919 N/A LYS 422.A N ALA 419.A O no hydrogen 2.987 N/A LYS 422.A NZ SER 395.A O no hydrogen 3.098 N/A LEU 423.A N ALA 419.A O no hydrogen 3.333 N/A LEU 423.A N VAL 420.A O no hydrogen 2.754 N/A SER 425.A N LYS 422.A O no hydrogen 3.451 N/A SER 425.A OG LYS 422.A O no hydrogen 2.992 N/A ASP 430.A N GLU 427.A O no hydrogen 2.981 N/A VAL 431.A N GLU 427.A O no hydrogen 3.406 N/A LEU 432.A N ASP 428.A O no hydrogen 3.310 N/A HIS 433.A ND1 ASP 429.A O no hydrogen 2.874 N/A TYR 434.A N VAL 431.A O no hydrogen 3.364 N/A LEU 438.A N TYR 434.A O no hydrogen 2.956 N/A VAL 439.A N LEU 435.A O no hydrogen 2.651 N/A GLN 440.A N LEU 436.A O no hydrogen 2.915 N/A GLN 440.A NE2 GLU 477.A OE2 no hydrogen 2.856 N/A VAL 442.A N VAL 439.A O no hydrogen 3.278 N/A LYS 443.A N GLN 440.A O no hydrogen 3.039 N/A LYS 443.A NZ GLN 440.A OE1 no hydrogen 3.237 N/A LYS 443.A NZ GLU 477.A OE1 no hydrogen 3.170 N/A LYS 443.A NZ THR 796.A O no hydrogen 3.386 N/A TYR 447.A OH ILE 258.A O no hydrogen 2.645 N/A HIS 448.A N GLU 30.A OE2 no hydrogen 3.240 N/A ASP 449.A N THR 34.A OG1 no hydrogen 3.374 N/A SER 450.A OG HIS 448.A O no hydrogen 3.292 N/A ARG 454.A N SER 450.A O no hydrogen 3.277 N/A ARG 454.A NE ASP 449.A OD1 no hydrogen 2.896 N/A ARG 454.A NH2 ASP 449.A OD2 no hydrogen 3.207 N/A PHE 455.A N LEU 452.A O no hydrogen 2.840 N/A LEU 456.A N LEU 452.A O no hydrogen 3.048 N/A LEU 457.A N ALA 453.A O no hydrogen 3.101 N/A LYS 458.A N ARG 454.A O no hydrogen 3.071 N/A ARG 459.A N PHE 455.A O no hydrogen 3.027 N/A ARG 459.A NH1 LEU 426.A O no hydrogen 2.863 N/A ARG 459.A NH2 LEU 426.A O no hydrogen 2.703 N/A GLY 460.A N LEU 456.A O no hydrogen 2.892 N/A LEU 461.A N LEU 457.A O no hydrogen 3.214 N/A ARG 462.A N ARG 459.A O no hydrogen 3.399 N/A ARG 462.A NE GLU 45.A OE2 no hydrogen 3.102 N/A ARG 462.A NH2 GLU 45.A OE1 no hydrogen 3.453 N/A LYS 464.A NZ ASP 160.A OD1 no hydrogen 3.121 N/A ARG 465.A N ASN 463.A OD1 no hydrogen 2.899 N/A GLY 467.A N ASN 463.A O no hydrogen 3.292 N/A HIS 468.A N LYS 464.A O no hydrogen 2.985 N/A HIS 468.A NE2 PRO 561.A O no hydrogen 2.783 N/A PHE 469.A N ARG 465.A O no hydrogen 3.067 N/A LEU 470.A N ILE 466.A O no hydrogen 2.867 N/A LEU 470.A N GLY 467.A O no hydrogen 2.859 N/A PHE 471.A N GLY 467.A O no hydrogen 2.889 N/A TRP 472.A N HIS 468.A O no hydrogen 3.208 N/A PHE 473.A N PHE 469.A O no hydrogen 2.986 N/A LEU 474.A N LEU 470.A O no hydrogen 3.086 N/A LEU 474.A N PHE 471.A O no hydrogen 3.301 N/A ARG 475.A N PHE 471.A O no hydrogen 2.840 N/A ARG 475.A NE LEU 15.A O no hydrogen 2.758 N/A ARG 475.A NH1 THR 647.A O no hydrogen 3.297 N/A ARG 475.A NH2 ALA 14.A O no hydrogen 3.512 N/A ARG 475.A NH2 LEU 15.A O no hydrogen 3.391 N/A SER 476.A N TRP 472.A O no hydrogen 3.013 N/A GLU 477.A N LEU 474.A O no hydrogen 3.157 N/A ILE 478.A N LEU 474.A O no hydrogen 3.056 N/A GLN 480.A N GLU 477.A O no hydrogen 3.263 N/A GLN 480.A NE2 SER 476.A O no hydrogen 2.735 N/A GLN 480.A NE2 SER 646.A OG no hydrogen 2.866 N/A TYR 484.A OH ALA 281.A O no hydrogen 2.595 N/A GLN 485.A N SER 481.A O no hydrogen 3.031 N/A ARG 487.A NH2 GLU 445.A O no hydrogen 2.838 N/A PHE 488.A N TYR 484.A O no hydrogen 3.047 N/A ALA 489.A N GLN 485.A O no hydrogen 2.911 N/A ILE 491.A N PHE 488.A O no hydrogen 2.993 N/A LEU 492.A N PHE 488.A O no hydrogen 2.904 N/A GLU 493.A N ALA 489.A O no hydrogen 2.875 N/A ALA 494.A N VAL 490.A O no hydrogen 3.249 N/A TYR 495.A N ILE 491.A O no hydrogen 2.958 N/A LEU 496.A N LEU 492.A O no hydrogen 2.871 N/A ARG 497.A N GLU 493.A O no hydrogen 3.076 N/A ARG 497.A NH2 GLU 493.A OE2 no hydrogen 3.355 N/A GLY 498.A N TYR 495.A O no hydrogen 2.917 N/A CYS 499.A SG TYR 495.A O no hydrogen 4.019 N/A CYS 499.A SG LEU 496.A O no hydrogen 3.230 N/A CYS 499.A SG GLY 500.A O no hydrogen 3.695 N/A THR 501.A N GLU 161.A O no hydrogen 2.822 N/A THR 501.A OG1 GLU 161.A O no hydrogen 3.120 N/A LEU 504.A N GLY 500.A O no hydrogen 3.397 N/A HIS 505.A N THR 501.A O no hydrogen 3.375 N/A PHE 507.A N MET 503.A O no hydrogen 2.773 N/A THR 508.A N LEU 504.A O no hydrogen 2.861 N/A THR 508.A OG1 LEU 504.A O no hydrogen 2.814 N/A GLN 509.A N ASP 506.A O no hydrogen 3.136 N/A GLN 510.A N ASP 506.A O no hydrogen 3.055 N/A GLN 510.A NE2 ASP 506.A O no hydrogen 3.426 N/A VAL 511.A N PHE 507.A O no hydrogen 3.043 N/A GLN 512.A N THR 508.A O no hydrogen 3.246 N/A VAL 513.A N GLN 509.A O no hydrogen 3.217 N/A ILE 514.A N GLN 510.A O no hydrogen 3.060 N/A GLU 515.A N VAL 511.A O no hydrogen 2.789 N/A MET 516.A N GLN 512.A O no hydrogen 2.900 N/A LEU 517.A N VAL 513.A O no hydrogen 2.936 N/A GLN 518.A N ILE 514.A O no hydrogen 3.008 N/A VAL 520.A N MET 516.A O no hydrogen 3.145 N/A THR 521.A N LEU 517.A O no hydrogen 3.442 N/A THR 521.A OG1 LEU 517.A O no hydrogen 3.137 N/A LEU 522.A N GLN 518.A O no hydrogen 3.299 N/A ASP 523.A N LYS 519.A O no hydrogen 3.159 N/A ILE 524.A N VAL 520.A O no hydrogen 2.972 N/A ILE 524.A N THR 521.A O no hydrogen 3.169 N/A LYS 525.A N THR 521.A O no hydrogen 2.925 N/A LYS 525.A N LEU 522.A O no hydrogen 3.073 N/A SER 526.A N LEU 522.A O no hydrogen 3.181 N/A SER 526.A OG LEU 522.A O no hydrogen 3.164 N/A SER 528.A N LYS 525.A O no hydrogen 3.436 N/A GLN 537.A N SER 535.A OG no hydrogen 3.315 N/A ILE 539.A N SER 535.A O no hydrogen 3.128 N/A SER 540.A OG SER 536.A O no hydrogen 3.062 N/A LEU 542.A N VAL 538.A O no hydrogen 2.878 N/A LYS 545.A N GLN 541.A O no hydrogen 3.078 N/A LEU 546.A N LEU 542.A O no hydrogen 2.839 N/A GLU 547.A N LYS 543.A O no hydrogen 3.276 N/A ASN 548.A N GLN 544.A O no hydrogen 3.018 N/A LEU 549.A N LYS 545.A O no hydrogen 3.060 N/A GLN 550.A N LEU 546.A O no hydrogen 2.667 N/A ASN 551.A N GLU 547.A O no hydrogen 2.974 N/A SER 552.A N LEU 549.A O no hydrogen 3.444 N/A SER 552.A OG ASN 548.A O no hydrogen 3.341 N/A LEU 554.A N LEU 549.A O no hydrogen 3.050 N/A PHE 558.A N ALA 568.A O no hydrogen 3.007 N/A ARG 559.A NE ASP 506.A OD1 no hydrogen 3.047 N/A ARG 559.A NH1 ASP 122.A OD1 no hydrogen 3.172 N/A ARG 559.A NH1 PRO 564.A O no hydrogen 3.041 N/A ARG 559.A NH2 ASP 122.A OD1 no hydrogen 3.217 N/A ARG 559.A NH2 ASP 506.A OD2 no hydrogen 3.544 N/A VAL 560.A N LEU 566.A O no hydrogen 3.120 N/A ASP 563.A N VAL 560.A O no hydrogen 2.692 N/A LEU 566.A N ASP 563.A O no hydrogen 3.306 N/A LYS 567.A NZ SER 557.A OG no hydrogen 3.272 N/A ALA 568.A N PHE 558.A O no hydrogen 2.873 N/A ALA 572.A N GLU 589.A O no hydrogen 2.833 N/A LYS 575.A N ALA 572.A O no hydrogen 2.813 N/A CYS 576.A N ILE 573.A O no hydrogen 3.065 N/A CYS 576.A SG ALA 572.A O no hydrogen 3.351 N/A LYS 577.A N TRP 587.A O no hydrogen 2.992 N/A MET 579.A N PRO 585.A O no hydrogen 3.136 N/A LYS 583.A N SER 581.A OG no hydrogen 3.248 N/A LYS 584.A N SER 581.A O no hydrogen 3.229 N/A LYS 584.A NZ TYR 532.A O no hydrogen 3.159 N/A LYS 584.A NZ ASP 533.A O no hydrogen 3.381 N/A LEU 586.A N PHE 607.A O no hydrogen 2.881 N/A TRP 587.A N LYS 577.A O no hydrogen 3.193 N/A TRP 587.A NE1 GLU 589.A OE2 no hydrogen 2.665 N/A LEU 588.A N ILE 605.A O no hydrogen 2.730 N/A PHE 590.A N ILE 603.A O no hydrogen 2.883 N/A LYS 591.A N ALA 570.A O no hydrogen 3.019 N/A CYS 592.A SG GLY 120.A O no hydrogen 3.703 N/A CYS 592.A SG LYS 567.A O no hydrogen 3.802 N/A CYS 592.A SG ASP 594.A O no hydrogen 3.843 N/A THR 596.A N ASP 594.A OD2 no hydrogen 3.127 N/A THR 596.A OG1 ASP 594.A OD1 no hydrogen 3.558 N/A THR 596.A OG1 ASP 594.A OD2 no hydrogen 2.988 N/A ALA 597.A N ASP 594.A O no hydrogen 2.891 N/A ILE 603.A N PHE 590.A O no hydrogen 2.911 N/A ILE 606.A N ILE 654.A O no hydrogen 3.173 N/A LYS 608.A N GLY 652.A O no hydrogen 3.384 N/A LYS 608.A NZ ASP 611.A OD2 no hydrogen 2.888 N/A GLY 610.A N LYS 650.A O no hydrogen 3.051 N/A ARG 614.A NE ASP 612.A OD1 no hydrogen 3.038 N/A ARG 614.A NE ASP 612.A OD2 no hydrogen 2.813 N/A ARG 614.A NH1 GLU 477.A OE2 no hydrogen 3.558 N/A ARG 614.A NH2 ASP 612.A OD2 no hydrogen 2.558 N/A MET 617.A N LEU 613.A O no hydrogen 3.187 N/A LEU 618.A N ARG 614.A O no hydrogen 3.467 N/A ILE 619.A N GLN 615.A O no hydrogen 3.366 N/A LEU 620.A N ASP 616.A O no hydrogen 2.948 N/A GLN 621.A N MET 617.A O no hydrogen 2.855 N/A ILE 622.A N LEU 618.A O no hydrogen 3.190 N/A LEU 623.A N ILE 619.A O no hydrogen 3.200 N/A ARG 624.A N LEU 620.A O no hydrogen 2.996 N/A ARG 624.A NH1 GLN 621.A OE1 no hydrogen 3.350 N/A ILE 625.A N GLN 621.A O no hydrogen 3.316 N/A MET 626.A N ILE 622.A O no hydrogen 2.862 N/A GLU 627.A N LEU 623.A O no hydrogen 3.004 N/A SER 628.A N ARG 624.A O no hydrogen 3.393 N/A SER 628.A OG ILE 625.A O no hydrogen 2.740 N/A ILE 629.A N ILE 625.A O no hydrogen 3.028 N/A TRP 630.A N GLU 627.A O no hydrogen 2.757 N/A TRP 630.A NE1 ALA 775.A O no hydrogen 2.896 N/A GLU 631.A N SER 628.A O no hydrogen 3.361 N/A THR 632.A OG1 ILE 629.A O no hydrogen 3.394 N/A SER 634.A N GLU 631.A O no hydrogen 3.211 N/A CYS 638.A N ASP 636.A OD1 no hydrogen 2.926 N/A CYS 638.A SG ASP 636.A O no hydrogen 3.949 N/A LEU 640.A N TYR 706.A OH no hydrogen 2.920 N/A GLY 643.A N GLU 655.A OE2 no hydrogen 2.893 N/A CYS 644.A SG MET 653.A O no hydrogen 3.891 N/A ILE 645.A N MET 653.A O no hydrogen 3.104 N/A THR 647.A N ILE 651.A O no hydrogen 3.335 N/A THR 647.A OG1 ILE 651.A O no hydrogen 2.775 N/A LYS 650.A N GLN 480.A OE1 no hydrogen 3.386 N/A LYS 650.A NZ GLY 610.A O no hydrogen 3.473 N/A GLY 652.A N LYS 608.A O no hydrogen 3.216 N/A MET 653.A N ILE 645.A O no hydrogen 2.958 N/A GLU 655.A N GLY 643.A O no hydrogen 2.902 N/A ILE 656.A N GLY 604.A O no hydrogen 2.637 N/A LYS 658.A NZ THR 602.A OG1 no hydrogen 2.985 N/A THR 661.A N ILE 725.A O no hydrogen 3.092 N/A ILE 663.A N ILE 723.A O no hydrogen 2.969 N/A ALA 664.A N ASN 720.A O no hydrogen 3.257 N/A LYS 665.A N THR 662.A OG1 no hydrogen 2.995 N/A ILE 666.A N ILE 663.A O no hydrogen 2.680 N/A GLN 667.A N ILE 663.A O no hydrogen 3.071 N/A GLN 667.A N ALA 664.A O no hydrogen 3.075 N/A GLN 667.A NE2 LYS 674.A O no hydrogen 3.502 N/A GLN 668.A N ALA 664.A O no hydrogen 3.040 N/A LYS 674.A N GLN 667.A OE1 no hydrogen 3.354 N/A LEU 678.A N ASP 675.A O no hydrogen 3.283 N/A HIS 680.A N GLU 676.A O no hydrogen 2.980 N/A TRP 681.A N VAL 677.A O no hydrogen 3.210 N/A TRP 681.A N LEU 678.A O no hydrogen 3.195 N/A LEU 682.A N LEU 678.A O no hydrogen 3.155 N/A LYS 683.A N ASN 679.A O no hydrogen 2.789 N/A GLU 684.A N HIS 680.A O no hydrogen 3.049 N/A LYS 685.A N LEU 682.A O no hydrogen 2.855 N/A LYS 685.A NZ GLU 727.A OE2 no hydrogen 3.563 N/A SER 686.A N LYS 683.A O no hydrogen 3.306 N/A SER 686.A OG LEU 682.A O no hydrogen 2.633 N/A GLU 690.A N THR 688.A OG1 no hydrogen 2.728 N/A LYS 691.A N THR 688.A OG1 no hydrogen 2.985 N/A PHE 692.A N THR 688.A O no hydrogen 3.133 N/A GLN 693.A N GLU 690.A O no hydrogen 3.015 N/A ALA 694.A N GLU 690.A O no hydrogen 3.285 N/A ALA 695.A N LYS 691.A O no hydrogen 3.110 N/A VAL 696.A N PHE 692.A O no hydrogen 3.187 N/A GLU 697.A N ALA 694.A O no hydrogen 3.064 N/A ARG 698.A N ALA 694.A O no hydrogen 3.285 N/A PHE 699.A N ALA 695.A O no hydrogen 3.148 N/A VAL 700.A N GLU 697.A O no hydrogen 2.720 N/A TYR 701.A N GLU 697.A O no hydrogen 3.017 N/A SER 702.A N ARG 698.A O no hydrogen 2.578 N/A SER 702.A OG ARG 698.A O no hydrogen 3.179 N/A SER 702.A OG PHE 699.A O no hydrogen 3.552 N/A CYS 703.A N PHE 699.A O no hydrogen 2.937 N/A ALA 704.A N TYR 701.A O no hydrogen 2.739 N/A GLY 705.A N TYR 701.A O no hydrogen 2.791 N/A TYR 706.A N SER 702.A O no hydrogen 2.997 N/A CYS 707.A N ALA 704.A O no hydrogen 3.164 N/A CYS 707.A SG CYS 703.A O no hydrogen 2.897 N/A VAL 708.A N ALA 704.A O no hydrogen 3.190 N/A ALA 709.A N GLY 705.A O no hydrogen 2.939 N/A THR 710.A OG1 TYR 706.A O no hydrogen 2.463 N/A THR 710.A OG1 CYS 707.A O no hydrogen 3.197 N/A PHE 711.A N CYS 707.A O no hydrogen 3.039 N/A VAL 712.A N VAL 708.A O no hydrogen 2.965 N/A LEU 713.A N ALA 709.A O no hydrogen 3.250 N/A GLY 714.A N PHE 711.A O no hydrogen 3.191 N/A ILE 715.A N THR 710.A O no hydrogen 2.947 N/A ARG 718.A NH1 ILE 734.A O no hydrogen 3.156 N/A ARG 718.A NH1 ASP 735.A O no hydrogen 2.494 N/A ARG 718.A NH2 ILE 734.A O no hydrogen 3.414 N/A ASN 720.A N GLN 841.A OE1 no hydrogen 2.785 N/A ASN 720.A ND2 GLN 841.A OE1 no hydrogen 3.076 N/A ASP 721.A N HIS 719.A ND1 no hydrogen 3.378 N/A ASN 722.A N HIS 719.A O no hydrogen 2.627 N/A ILE 723.A N ASN 720.A O no hydrogen 3.486 N/A MET 724.A N PHE 732.A O no hydrogen 2.933 N/A ILE 725.A N THR 661.A O no hydrogen 2.984 N/A THR 726.A N ASN 730.A O no hydrogen 2.795 N/A THR 726.A OG1 ASN 730.A O no hydrogen 3.218 N/A GLU 727.A N ASP 659.A O no hydrogen 2.960 N/A GLY 729.A N THR 726.A O no hydrogen 3.283 N/A ASN 730.A N THR 726.A OG1 no hydrogen 3.023 N/A LEU 731.A N SER 702.A OG no hydrogen 2.946 N/A PHE 732.A N MET 724.A O no hydrogen 3.119 N/A ILE 734.A N ASN 722.A O no hydrogen 3.221 N/A VAL 742.A N ASP 717.A OD2 no hydrogen 3.325 N/A LEU 746.A N PHE 744.A O no hydrogen 3.019 N/A THR 747.A OG1 ASP 749.A OD1 no hydrogen 2.656 N/A PHE 750.A N THR 747.A O no hydrogen 2.829 N/A PHE 752.A N PRO 748.A O no hydrogen 3.152 N/A MET 754.A N PHE 750.A O no hydrogen 3.106 N/A GLY 755.A N PHE 752.A O no hydrogen 2.670 N/A THR 756.A OG1 GLY 755.A O no hydrogen 2.526 N/A THR 756.A OG1 SER 762.A OG no hydrogen 2.913 N/A SER 762.A OG MET 754.A O no hydrogen 2.688 N/A SER 762.A OG GLY 755.A O no hydrogen 2.809 N/A SER 762.A OG THR 756.A OG1 no hydrogen 2.913 N/A GLN 766.A N SER 762.A O no hydrogen 2.943 N/A PHE 768.A N HIS 764.A O no hydrogen 2.753 N/A GLN 769.A N PHE 765.A O no hydrogen 3.045 N/A ASP 770.A N GLN 766.A O no hydrogen 2.912 N/A ILE 771.A N LYS 767.A O no hydrogen 2.705 N/A CYS 772.A N PHE 768.A O no hydrogen 3.168 N/A CYS 772.A SG ALA 704.A O no hydrogen 4.029 N/A CYS 772.A SG PHE 768.A O no hydrogen 3.229 N/A LYS 774.A N ASP 770.A O no hydrogen 3.324 N/A ALA 775.A N ILE 771.A O no hydrogen 2.798 N/A ALA 775.A N CYS 772.A O no hydrogen 2.899 N/A TYR 776.A N CYS 772.A O no hydrogen 2.766 N/A TYR 776.A OH ALA 812.A O no hydrogen 3.324 N/A LEU 777.A N VAL 773.A O no hydrogen 2.993 N/A ALA 778.A N LYS 774.A O no hydrogen 3.212 N/A LEU 779.A N ALA 775.A O no hydrogen 3.395 N/A ARG 780.A N TYR 776.A O no hydrogen 2.940 N/A ARG 780.A NE LEU 813.A O no hydrogen 2.981 N/A ARG 780.A NH2 THR 814.A O no hydrogen 2.835 N/A ARG 780.A NH2 LYS 817.A O no hydrogen 2.999 N/A HIS 781.A N LEU 777.A O no hydrogen 3.013 N/A HIS 781.A N ALA 778.A O no hydrogen 3.304 N/A HIS 781.A NE2 GLU 819.A OE1 no hydrogen 3.115 N/A THR 783.A N ARG 780.A O no hydrogen 3.280 N/A THR 783.A OG1 ARG 780.A O no hydrogen 2.811 N/A LEU 786.A N HIS 782.A O no hydrogen 3.332 N/A LEU 786.A N THR 783.A O no hydrogen 2.840 N/A ILE 787.A N THR 783.A O no hydrogen 2.945 N/A ILE 788.A N ASN 784.A O no hydrogen 3.249 N/A LEU 789.A N LEU 786.A O no hydrogen 3.206 N/A PHE 790.A N LEU 786.A O no hydrogen 2.925 N/A SER 791.A N ILE 787.A O no hydrogen 2.842 N/A MET 792.A N ILE 788.A O no hydrogen 3.184 N/A MET 793.A N LEU 789.A O no hydrogen 2.999 N/A MET 793.A N PHE 790.A O no hydrogen 3.071 N/A LEU 794.A N PHE 790.A O no hydrogen 3.202 N/A MET 795.A N SER 791.A O no hydrogen 3.257 N/A THR 796.A N MET 792.A O no hydrogen 3.187 N/A THR 796.A OG1 GLN 440.A OE1 no hydrogen 3.282 N/A THR 796.A OG1 MET 792.A O no hydrogen 3.089 N/A MET 798.A N LEU 794.A O no hydrogen 3.238 N/A SER 802.A N ASP 805.A OD2 no hydrogen 2.850 N/A GLU 804.A N SER 802.A OG no hydrogen 3.214 N/A ASP 805.A N SER 802.A O no hydrogen 3.156 N/A GLU 807.A N LYS 803.A O no hydrogen 3.462 N/A TYR 808.A OH PHE 711.A O no hydrogen 2.768 N/A ARG 810.A N ILE 806.A O no hydrogen 3.490 N/A ARG 810.A NH2 ASP 337.A OD1 no hydrogen 3.105 N/A ALA 812.A N TYR 808.A O no hydrogen 2.937 N/A LEU 813.A N ILE 809.A O no hydrogen 2.902 N/A LEU 813.A N ARG 810.A O no hydrogen 3.298 N/A THR 814.A N ASP 811.A O no hydrogen 2.801 N/A ALA 822.A N ASN 818.A O no hydrogen 3.398 N/A LYS 824.A N GLU 820.A O no hydrogen 2.926 N/A TYR 825.A N ASP 821.A O no hydrogen 3.155 N/A PHE 826.A N ALA 822.A O no hydrogen 2.863 N/A LEU 827.A N LYS 823.A O no hydrogen 3.120 N/A ASP 828.A N LYS 824.A O no hydrogen 2.679 N/A GLN 829.A N TYR 825.A O no hydrogen 3.044 N/A ILE 830.A N PHE 826.A O no hydrogen 2.881 N/A GLU 831.A N ASP 828.A O no hydrogen 2.920 N/A VAL 832.A N ASP 828.A O no hydrogen 3.140 N/A CYS 833.A SG PHE 744.A O no hydrogen 3.114 N/A CYS 833.A SG GLN 829.A O no hydrogen 3.924 N/A ARG 834.A N GLU 831.A O no hydrogen 2.677 N/A ASP 835.A N GLU 831.A O no hydrogen 3.113 N/A THR 839.A N LYS 836.A O no hydrogen 2.852 N/A THR 839.A OG1 LYS 836.A O no hydrogen 3.367 N/A PHE 842.A N TRP 838.A O no hydrogen 2.636 N/A ASN 843.A N THR 839.A O no hydrogen 3.262 N/A TRP 844.A N VAL 840.A O no hydrogen 3.050 N/A PHE 845.A N PHE 842.A O no hydrogen 3.019 N/A LEU 846.A N PHE 842.A O no hydrogen 3.032 N/A HIS 847.A N ASN 843.A O no hydrogen 2.770 N/A LEU 848.A N PHE 845.A O no hydrogen 2.984 N/A VAL 849.A N LEU 846.A O no hydrogen 2.767 N/A