Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1d5a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N LYS 21.A O no hydrogen 3.138 N/A LEU 3.A N PHE 19.A O no hydrogen 2.719 N/A ALA 5.A N ASP 4.A OD2 no hydrogen 2.566 N/A ASP 6.A N ARG 17.A O no hydrogen 3.004 N/A ILE 8.A N VAL 15.A O no hydrogen 2.975 N/A GLU 10.A N LYS 13.A O no hydrogen 3.094 N/A LYS 13.A N GLU 10.A O no hydrogen 2.939 N/A VAL 15.A N ILE 8.A O no hydrogen 2.912 N/A ILE 16.A N ASP 31.A O no hydrogen 2.942 N/A ARG 17.A N ASP 6.A O no hydrogen 2.793 N/A ARG 17.A NH1 ASP 6.A OD1 no hydrogen 3.551 N/A ARG 17.A NH2 ASP 235.A OD2 no hydrogen 3.103 N/A VAL 18.A N ASP 29.A O no hydrogen 2.951 N/A PHE 19.A N ASP 4.A O no hydrogen 2.918 N/A LYS 20.A N LYS 27.A O no hydrogen 3.253 N/A LYS 20.A NZ ASP 29.A OD2 no hydrogen 2.702 N/A LYS 21.A N MET 1.A O no hydrogen 3.002 N/A LYS 21.A NZ ASP 204.A OD1 no hydrogen 3.422 N/A LYS 21.A NZ ASP 204.A OD2 no hydrogen 3.086 N/A GLU 22.A N GLU 25.A O no hydrogen 2.886 N/A LYS 23.A N GLU 133.A OE1 no hydrogen 2.922 N/A GLU 25.A N GLU 22.A O no hydrogen 3.043 N/A LYS 27.A N LYS 20.A O no hydrogen 3.023 N/A LYS 27.A NZ GLU 22.A OE1 no hydrogen 3.231 N/A ASP 29.A N VAL 18.A O no hydrogen 3.130 N/A ASP 31.A N ILE 16.A O no hydrogen 3.110 N/A ARG 32.A NH1 GLU 10.A OE1 no hydrogen 2.618 N/A ARG 32.A NH2 GLU 10.A OE1 no hydrogen 3.052 N/A ASP 33.A N ASP 31.A OD1 no hydrogen 2.999 N/A TYR 37.A OH ASP 123.A OD1 no hydrogen 3.290 N/A TYR 37.A OH ASP 123.A OD2 no hydrogen 2.608 N/A ILE 38.A N LEU 85.A O no hydrogen 3.204 N/A TYR 39.A N TYR 110.A O no hydrogen 3.152 N/A ALA 40.A N TRP 83.A O no hydrogen 2.979 N/A LEU 41.A N ASP 108.A O no hydrogen 2.993 N/A LYS 43.A N ALA 105.A O no hydrogen 3.322 N/A SER 46.A OG ASP 44.A OD1 no hydrogen 3.252 N/A SER 46.A OG ASP 44.A OD2 no hydrogen 2.396 N/A ALA 47.A N ASP 44.A O no hydrogen 2.899 N/A ILE 51.A N ILE 48.A O no hydrogen 2.720 N/A LYS 52.A N ILE 48.A O no hydrogen 2.866 N/A ILE 54.A N ILE 51.A O no hydrogen 2.849 N/A ALA 56.A N VAL 63.A O no hydrogen 3.240 N/A ARG 58.A N THR 61.A O no hydrogen 3.221 N/A THR 61.A N ARG 58.A O no hydrogen 3.369 N/A VAL 63.A N ALA 56.A O no hydrogen 2.771 N/A THR 66.A N TYR 86.A O no hydrogen 2.847 N/A ARG 67.A NE GLU 35.A OE1 no hydrogen 3.397 N/A ARG 67.A NH1 GLU 69.A OE1 no hydrogen 2.514 N/A GLU 69.A N LYS 84.A O no hydrogen 3.103 N/A VAL 71.A N VAL 82.A O no hydrogen 2.781 N/A LYS 73.A N VAL 80.A O no hydrogen 3.243 N/A LYS 74.A NZ ARG 364.A O no hydrogen 3.284 N/A PHE 75.A N ARG 78.A O no hydrogen 2.945 N/A VAL 80.A N LYS 73.A O no hydrogen 3.164 N/A VAL 82.A N VAL 71.A O no hydrogen 3.181 N/A TRP 83.A N ALA 40.A O no hydrogen 2.957 N/A LYS 84.A N GLU 69.A O no hydrogen 2.769 N/A LYS 84.A NZ TYR 86.A OH no hydrogen 2.929 N/A LEU 85.A N ILE 38.A O no hydrogen 3.046 N/A TYR 86.A N ARG 67.A O no hydrogen 2.987 N/A PHE 87.A N PRO 36.A O no hydrogen 3.177 N/A HIS 89.A N ASP 92.A OD2 no hydrogen 3.104 N/A ASP 92.A N HIS 89.A O no hydrogen 2.902 N/A ALA 95.A N ASP 92.A O no hydrogen 2.835 N/A ILE 96.A N ASP 92.A O no hydrogen 2.985 N/A ARG 97.A N VAL 93.A O no hydrogen 3.040 N/A ARG 97.A NH1 TYR 112.A O no hydrogen 3.133 N/A ILE 100.A N ARG 97.A O no hydrogen 3.005 N/A ARG 101.A N ARG 97.A O no hydrogen 3.258 N/A HIS 103.A NE2 ASP 50.A OD2 no hydrogen 3.096 N/A ALA 105.A N HIS 103.A ND1 no hydrogen 2.726 N/A VAL 107.A N LEU 41.A O no hydrogen 3.083 N/A ILE 109.A N ASP 108.A OD1 no hydrogen 2.666 N/A TYR 110.A N TYR 39.A O no hydrogen 2.777 N/A LYS 118.A N PRO 115.A O no hydrogen 3.171 N/A LYS 118.A NZ ASP 343.A OD1 no hydrogen 3.307 N/A ARG 119.A N PRO 115.A O no hydrogen 2.937 N/A ARG 119.A NH1 ASP 123.A OD1 no hydrogen 2.801 N/A TYR 120.A N PHE 116.A O no hydrogen 3.003 N/A TYR 120.A OH ASP 31.A OD2 no hydrogen 2.562 N/A LEU 121.A N ALA 117.A O no hydrogen 3.175 N/A ILE 122.A N LYS 118.A O no hydrogen 3.022 N/A ASP 123.A N ARG 119.A O no hydrogen 2.827 N/A ARG 124.A N TYR 120.A O no hydrogen 2.925 N/A ARG 124.A NH1 ASP 31.A OD2 no hydrogen 2.582 N/A ARG 124.A NH2 ASP 31.A OD2 no hydrogen 3.214 N/A GLY 125.A N ILE 122.A O no hydrogen 2.974 N/A LEU 126.A N LEU 121.A O no hydrogen 2.881 N/A MET 129.A N ILE 2.A O no hydrogen 3.039 N/A ARG 136.A N ASP 204.A OD2 no hydrogen 2.980 N/A ALA 139.A N ALA 163.A O no hydrogen 3.247 N/A PHE 140.A N ILE 207.A O no hydrogen 3.117 N/A ASP 141.A N SER 161.A O no hydrogen 2.840 N/A ILE 142.A N ASP 141.A OD2 no hydrogen 2.717 N/A GLU 143.A N MET 159.A O no hydrogen 3.373 N/A LEU 158.A N GLU 143.A O no hydrogen 3.123 N/A ILE 160.A N ILE 171.A O no hydrogen 3.060 N/A SER 161.A N ASP 141.A O no hydrogen 3.055 N/A SER 161.A OG SER 312.A O no hydrogen 2.986 N/A TYR 162.A N ARG 169.A O no hydrogen 2.963 N/A ALA 163.A N ALA 139.A O no hydrogen 3.255 N/A ASP 164.A N GLY 167.A O no hydrogen 2.783 N/A GLU 165.A N ASP 164.A OD1 no hydrogen 2.334 N/A GLY 167.A N ASP 164.A O no hydrogen 3.268 N/A ARG 169.A N TYR 162.A O no hydrogen 2.827 N/A VAL 170.A N TYR 180.A O no hydrogen 3.467 N/A ILE 171.A N ILE 160.A O no hydrogen 2.805 N/A THR 172.A N GLU 182.A O no hydrogen 3.060 N/A THR 172.A OG1 LYS 174.A O no hydrogen 3.182 N/A LYS 174.A NZ ASN 175.A O no hydrogen 2.671 N/A ILE 176.A N SER 183.A OG no hydrogen 3.276 N/A VAL 181.A N LEU 178.A O no hydrogen 3.046 N/A SER 183.A OG LYS 174.A O no hydrogen 3.293 N/A SER 183.A OG ILE 176.A O no hydrogen 3.485 N/A VAL 184.A N THR 172.A O no hydrogen 2.523 N/A GLU 189.A N THR 186.A O no hydrogen 3.189 N/A MET 190.A N THR 186.A O no hydrogen 3.102 N/A LYS 192.A N LYS 188.A O no hydrogen 3.392 N/A ARG 193.A N GLU 189.A O no hydrogen 2.935 N/A ARG 193.A NH1 GLU 200.A OE1 no hydrogen 3.454 N/A PHE 194.A N MET 190.A O no hydrogen 3.079 N/A LEU 195.A N ILE 191.A O no hydrogen 2.875 N/A LYS 196.A N LYS 192.A O no hydrogen 2.891 N/A LYS 196.A N ARG 193.A O no hydrogen 2.965 N/A VAL 197.A N ARG 193.A O no hydrogen 2.810 N/A ILE 198.A N PHE 194.A O no hydrogen 3.235 N/A GLN 199.A N LEU 195.A O no hydrogen 3.361 N/A GLN 199.A NE2 GLN 199.A O no hydrogen 3.555 N/A GLU 200.A N VAL 197.A O no hydrogen 3.167 N/A LYS 201.A N VAL 197.A O no hydrogen 3.031 N/A ASP 202.A N ILE 198.A O no hydrogen 2.718 N/A ASP 204.A N ARG 136.A O no hydrogen 2.896 N/A VAL 205.A N ARG 136.A O no hydrogen 3.164 N/A LEU 206.A N ILE 256.A O no hydrogen 3.089 N/A ILE 207.A N LEU 138.A O no hydrogen 2.819 N/A THR 208.A N PHE 258.A O no hydrogen 3.412 N/A ASN 210.A N ASP 259.A OD1 no hydrogen 2.797 N/A GLY 211.A N THR 208.A OG1 no hydrogen 2.922 N/A ASP 212.A N ASP 259.A OD2 no hydrogen 3.127 N/A ASN 213.A N ASN 210.A O no hydrogen 3.170 N/A PHE 214.A N ASN 210.A O no hydrogen 3.256 N/A PHE 216.A N GLY 211.A O no hydrogen 3.502 N/A TYR 218.A N PHE 214.A O no hydrogen 3.021 N/A TYR 218.A OH PRO 156.A O no hydrogen 2.585 N/A LEU 219.A N ASP 215.A O no hydrogen 2.957 N/A LYS 220.A N PHE 216.A O no hydrogen 2.847 N/A LYS 221.A N ALA 217.A O no hydrogen 3.347 N/A ARG 222.A N TYR 218.A O no hydrogen 2.720 N/A ARG 222.A NE GLU 187.A OE1 no hydrogen 3.253 N/A ARG 222.A NH2 GLU 187.A OE1 no hydrogen 3.129 N/A SER 223.A N LYS 220.A O no hydrogen 2.853 N/A SER 223.A OG VAL 228.A O no hydrogen 2.577 N/A GLU 224.A N LYS 220.A O no hydrogen 2.884 N/A MET 225.A N LYS 221.A O no hydrogen 3.147 N/A LEU 226.A N SER 223.A O no hydrogen 3.186 N/A VAL 228.A N SER 223.A O no hydrogen 3.116 N/A ILE 231.A N LYS 229.A O no hydrogen 3.206 N/A LEU 232.A N SER 237.A O no hydrogen 3.306 N/A GLY 233.A N SER 237.A O no hydrogen 3.360 N/A ARG 234.A N LYS 253.A O no hydrogen 3.132 N/A ARG 234.A NE ASP 202.A OD1 no hydrogen 2.768 N/A ARG 234.A NH1 ASP 204.A OD1 no hydrogen 2.963 N/A ARG 234.A NH2 ASP 202.A O no hydrogen 3.168 N/A ARG 234.A NH2 ASP 202.A OD1 no hydrogen 2.823 N/A ARG 234.A NH2 ASP 204.A OD1 no hydrogen 2.867 N/A GLY 236.A N GLY 233.A O no hydrogen 2.992 N/A SER 237.A N ASP 235.A OD1 no hydrogen 3.098 N/A SER 237.A OG ASP 235.A OD1 no hydrogen 2.479 N/A LYS 240.A N GLU 251.A O no hydrogen 2.997 N/A MET 244.A N ARG 247.A O no hydrogen 2.802 N/A GLY 245.A N ARG 247.A O no hydrogen 3.313 N/A PHE 248.A N ASN 213.A OD1 no hydrogen 3.146 N/A ALA 249.A N GLN 242.A O no hydrogen 2.713 N/A VAL 250.A N ASP 212.A OD1 no hydrogen 2.924 N/A GLU 251.A N LYS 240.A O no hydrogen 2.859 N/A LYS 253.A NZ ASP 6.A OD2 no hydrogen 2.593 N/A ARG 255.A N VAL 252.A O no hydrogen 3.028 N/A ILE 256.A N ASP 204.A O no hydrogen 2.981 N/A PHE 258.A N LEU 206.A O no hydrogen 3.049 N/A LEU 260.A N THR 208.A O no hydrogen 2.966 N/A TYR 261.A N ASP 259.A OD1 no hydrogen 2.756 N/A ILE 264.A N LEU 260.A O no hydrogen 3.031 N/A ARG 265.A N TYR 261.A O no hydrogen 3.216 N/A ARG 266.A N VAL 263.A O no hydrogen 2.996 N/A ARG 266.A NH2 GLU 330.A OE1 no hydrogen 2.893 N/A THR 267.A N VAL 263.A O no hydrogen 3.178 N/A THR 267.A N ILE 264.A O no hydrogen 3.197 N/A ILE 268.A N ILE 264.A O no hydrogen 2.836 N/A LEU 270.A N TYR 273.A OH no hydrogen 2.988 N/A TYR 273.A OH ILE 268.A O no hydrogen 2.886 N/A THR 274.A OG1 TYR 273.A O no hydrogen 2.749 N/A TYR 279.A N GLU 276.A O no hydrogen 3.294 N/A TYR 279.A OH GLU 321.A OE1 no hydrogen 2.800 N/A VAL 282.A N VAL 278.A O no hydrogen 3.333 N/A PHE 283.A N TYR 279.A O no hydrogen 2.728 N/A ALA 296.A N GLU 293.A O no hydrogen 3.210 N/A TRP 299.A N ILE 295.A O no hydrogen 2.889 N/A ALA 300.A N ALA 296.A O no hydrogen 2.932 N/A SER 301.A N GLU 297.A O no hydrogen 2.574 N/A GLY 304.A N SER 301.A O no hydrogen 2.862 N/A GLU 306.A N GLU 303.A O no hydrogen 3.449 N/A ARG 307.A NH2 GLU 288.A OE1 no hydrogen 3.288 N/A ALA 309.A N LEU 305.A O no hydrogen 3.186 N/A ARG 310.A N ARG 307.A O no hydrogen 3.155 N/A TYR 311.A N ARG 307.A O no hydrogen 3.354 N/A SER 312.A N VAL 308.A O no hydrogen 2.994 N/A SER 312.A OG GLU 143.A OE1 no hydrogen 3.184 N/A GLU 314.A N ARG 310.A O no hydrogen 2.892 N/A ASP 315.A N TYR 311.A O no hydrogen 3.183 N/A ALA 316.A N SER 312.A O no hydrogen 3.393 N/A LYS 317.A N MET 313.A O no hydrogen 2.680 N/A ALA 318.A N GLU 314.A O no hydrogen 2.697 N/A THR 319.A N ASP 315.A O no hydrogen 2.793 N/A TYR 320.A N ALA 316.A O no hydrogen 2.885 N/A GLU 321.A N LYS 317.A O no hydrogen 3.068 N/A LEU 322.A N ALA 318.A O no hydrogen 2.784 N/A GLY 323.A N THR 319.A O no hydrogen 2.983 N/A GLU 325.A N LEU 322.A O no hydrogen 2.721 N/A PHE 326.A N LEU 322.A O no hydrogen 2.966 N/A PHE 327.A N GLY 323.A O no hydrogen 3.047 N/A GLU 330.A N PHE 326.A O no hydrogen 3.088 N/A ALA 331.A N PHE 327.A O no hydrogen 2.648 N/A GLN 332.A N PRO 328.A O no hydrogen 3.075 N/A LEU 333.A N MET 329.A O no hydrogen 2.939 N/A SER 334.A N GLU 330.A O no hydrogen 2.960 N/A SER 334.A OG GLU 330.A O no hydrogen 2.633 N/A ARG 335.A N ALA 331.A O no hydrogen 3.199 N/A LEU 336.A N GLN 332.A O no hydrogen 3.074 N/A VAL 337.A N LEU 333.A O no hydrogen 2.700 N/A GLY 338.A N SER 334.A O no hydrogen 2.630 N/A SER 340.A OG ASP 343.A OD2 no hydrogen 2.902 N/A TRP 342.A NE1 VAL 250.A O no hydrogen 3.027 N/A ASP 343.A N SER 340.A OG no hydrogen 3.206 N/A VAL 344.A N SER 340.A O no hydrogen 3.054 N/A SER 345.A N LEU 341.A O no hydrogen 2.954 N/A SER 345.A OG LEU 341.A O no hydrogen 2.863 N/A SER 345.A OG TRP 342.A O no hydrogen 3.395 N/A ARG 346.A N ASP 343.A O no hydrogen 3.420 N/A ARG 346.A NE ASP 212.A OD1 no hydrogen 3.439 N/A ARG 346.A NE ASP 212.A OD2 no hydrogen 3.356 N/A ARG 346.A NH1 HIS 257.A O no hydrogen 3.271 N/A ARG 346.A NH1 TRP 342.A O no hydrogen 2.885 N/A ARG 346.A NH2 ASP 212.A OD1 no hydrogen 3.187 N/A ARG 346.A NH2 HIS 257.A O no hydrogen 2.499 N/A SER 347.A N VAL 344.A O no hydrogen 3.271 N/A SER 347.A OG SER 348.A O no hydrogen 3.155 N/A ASN 351.A N SER 348.A OG no hydrogen 3.204 N/A ASN 351.A ND2 SER 348.A OG no hydrogen 3.167 N/A LEU 352.A N SER 348.A O no hydrogen 3.038 N/A VAL 353.A N THR 349.A O no hydrogen 2.961 N/A GLU 354.A N GLY 350.A O no hydrogen 3.131 N/A TRP 355.A N ASN 351.A O no hydrogen 3.060 N/A PHE 356.A N LEU 352.A O no hydrogen 3.108 N/A LEU 357.A N VAL 353.A O no hydrogen 2.878 N/A LEU 358.A N GLU 354.A O no hydrogen 2.962 N/A ARG 359.A N TRP 355.A O no hydrogen 3.332 N/A ARG 359.A NH2 LEU 126.A O no hydrogen 2.319 N/A LYS 360.A N PHE 356.A O no hydrogen 3.051 N/A ALA 361.A N LEU 357.A O no hydrogen 2.625 N/A TYR 362.A N LEU 358.A O no hydrogen 3.052 N/A GLU 363.A N ARG 359.A O no hydrogen 3.209 N/A ARG 364.A N LYS 360.A O no hydrogen 2.937 N/A ARG 364.A NH2 SER 451.A OG no hydrogen 3.266 N/A ASN 365.A N TYR 362.A O no hydrogen 3.355 N/A ASP 366.A N ALA 361.A O no hydrogen 2.726 N/A VAL 367.A N LYS 74.A O no hydrogen 2.818 N/A ALA 368.A N GLU 111.A OE2 no hydrogen 2.815 N/A ASN 370.A ND2 ILE 109.A O no hydrogen 3.116 N/A GLU 376.A N ASP 373.A OD1 no hydrogen 2.772 N/A LEU 377.A N ASP 373.A O no hydrogen 2.644 N/A ALA 378.A N GLU 374.A O no hydrogen 2.975 N/A ARG 379.A N ARG 375.A O no hydrogen 3.316 N/A ARG 380.A N GLU 376.A O no hydrogen 3.089 N/A ARG 380.A NE GLU 376.A OE1 no hydrogen 2.803 N/A ARG 380.A NH1 ALA 500.A O no hydrogen 2.905 N/A ARG 380.A NH1 ALA 502.A O no hydrogen 3.048 N/A THR 381.A N LEU 377.A O no hydrogen 2.966 N/A THR 381.A OG1 LEU 377.A O no hydrogen 2.657 N/A GLU 382.A N ARG 379.A O no hydrogen 3.479 N/A GLU 393.A N LEU 537.A O no hydrogen 2.997 N/A TRP 397.A N GLY 586.A O no hydrogen 3.086 N/A ASN 399.A N ARG 584.A O no hydrogen 2.953 N/A ASN 399.A ND2 ALA 551.A O no hydrogen 3.103 N/A ILE 400.A N TYR 583.A O no hydrogen 2.868 N/A VAL 401.A N ALA 546.A O no hydrogen 2.981 N/A TYR 402.A N GLY 581.A O no hydrogen 2.840 N/A LEU 403.A N PHE 544.A O no hydrogen 3.015 N/A ASP 404.A N GLU 578.A O no hydrogen 2.880 N/A TYR 405.A N ASP 542.A O no hydrogen 3.172 N/A TYR 405.A OH ASP 540.A O no hydrogen 2.951 N/A LYS 406.A N GLU 576.A O no hydrogen 2.860 N/A LYS 406.A NZ ASP 404.A OD2 no hydrogen 3.362 N/A SER 411.A N SER 407.A O no hydrogen 3.197 N/A SER 411.A OG SER 407.A O no hydrogen 2.873 N/A SER 411.A OG LEU 408.A O no hydrogen 3.199 N/A ILE 412.A N LEU 408.A O no hydrogen 3.241 N/A ILE 413.A N TYR 409.A O no hydrogen 3.035 N/A ILE 414.A N PRO 410.A O no hydrogen 3.172 N/A THR 415.A N SER 411.A O no hydrogen 2.908 N/A THR 415.A OG1 SER 411.A O no hydrogen 2.808 N/A HIS 416.A N ILE 412.A O no hydrogen 3.035 N/A ASN 417.A N ILE 414.A O no hydrogen 3.184 N/A ASN 417.A ND2 CYS 442.A O no hydrogen 2.769 N/A ASN 417.A ND2 PHE 445.A O no hydrogen 2.873 N/A VAL 418.A N ILE 413.A O no hydrogen 3.074 N/A SER 419.A OG ASP 421.A OD1 no hydrogen 2.427 N/A ASP 421.A N ASP 421.A OD1 no hydrogen 2.604 N/A THR 422.A N SER 419.A O no hydrogen 3.288 N/A THR 422.A OG1 ASN 417.A O no hydrogen 2.973 N/A THR 422.A OG1 SER 419.A O no hydrogen 3.037 N/A CYS 428.A N ARG 425.A O no hydrogen 3.431 N/A CYS 428.A SG GLU 430.A O no hydrogen 2.969 N/A CYS 428.A SG ASP 444.A OD2 no hydrogen 3.436 N/A ARG 429.A N ASP 444.A OD2 no hydrogen 2.885 N/A ASP 432.A N PHE 441.A O no hydrogen 3.002 N/A ALA 434.A N HIS 439.A O no hydrogen 2.993 N/A GLY 438.A N ALA 434.A O no hydrogen 3.018 N/A HIS 439.A NE2 GLU 511.A OE1 no hydrogen 3.158 N/A ARG 440.A N ASN 424.A OD1 no hydrogen 3.012 N/A PHE 441.A N ASP 432.A O no hydrogen 2.818 N/A CYS 442.A N THR 422.A O no hydrogen 2.923 N/A CYS 442.A SG GLU 430.A O no hydrogen 3.870 N/A CYS 442.A SG ASP 444.A OD2 no hydrogen 3.269 N/A LYS 443.A N GLU 430.A O no hydrogen 2.692 N/A LYS 443.A NZ THR 415.A O no hydrogen 3.231 N/A LYS 443.A NZ ASP 432.A OD1 no hydrogen 3.036 N/A GLY 447.A N ASN 417.A OD1 no hydrogen 2.894 N/A PHE 448.A N ASP 421.A OD2 no hydrogen 3.202 N/A SER 451.A N GLY 447.A O no hydrogen 3.040 N/A LEU 452.A N PHE 448.A O no hydrogen 3.222 N/A LEU 453.A N ILE 449.A O no hydrogen 2.913 N/A GLY 454.A N PRO 450.A O no hydrogen 3.059 N/A ASP 455.A N SER 451.A O no hydrogen 3.138 N/A LEU 456.A N LEU 452.A O no hydrogen 3.140 N/A LEU 457.A N LEU 453.A O no hydrogen 2.992 N/A GLU 458.A N GLY 454.A O no hydrogen 3.172 N/A GLU 459.A N ASP 455.A O no hydrogen 3.094 N/A ARG 460.A N LEU 456.A O no hydrogen 2.966 N/A ARG 460.A NE GLN 483.A OE1 no hydrogen 2.956 N/A ARG 460.A NH2 GLN 483.A OE1 no hydrogen 2.875 N/A GLN 461.A N LEU 457.A O no hydrogen 3.152 N/A LYS 462.A N GLU 458.A O no hydrogen 3.261 N/A VAL 463.A N GLU 459.A O no hydrogen 3.009 N/A LYS 464.A N ARG 460.A O no hydrogen 3.099 N/A LYS 465.A N GLN 461.A O no hydrogen 3.122 N/A LYS 466.A N LYS 462.A O no hydrogen 3.206 N/A MET 467.A N VAL 463.A O no hydrogen 2.865 N/A LYS 468.A N LYS 464.A O no hydrogen 3.169 N/A LYS 468.A N LYS 465.A O no hydrogen 3.260 N/A ALA 469.A N LYS 465.A O no hydrogen 3.215 N/A ALA 469.A N LYS 466.A O no hydrogen 3.274 N/A ASP 472.A N THR 470.A OG1 no hydrogen 3.295 N/A ILE 474.A N ASP 472.A OD1 no hydrogen 2.874 N/A GLU 475.A N ASP 472.A OD1 no hydrogen 3.244 N/A ARG 476.A N ASP 472.A O no hydrogen 2.887 N/A LYS 477.A N PRO 473.A O no hydrogen 3.345 N/A LEU 478.A N ILE 474.A O no hydrogen 3.203 N/A LEU 479.A N GLU 475.A O no hydrogen 2.885 N/A ASP 480.A N ARG 476.A O no hydrogen 3.177 N/A TYR 481.A N LYS 477.A O no hydrogen 3.264 N/A TYR 481.A OH GLU 325.A OE2 no hydrogen 3.071 N/A ARG 482.A N LEU 478.A O no hydrogen 2.981 N/A ARG 482.A NE GLN 332.A OE1 no hydrogen 2.955 N/A ARG 482.A NH2 GLN 332.A OE1 no hydrogen 3.551 N/A GLN 483.A N LEU 479.A O no hydrogen 3.096 N/A GLN 483.A NE2 ASP 480.A O no hydrogen 3.378 N/A GLN 483.A NE2 ASP 480.A OD1 no hydrogen 3.116 N/A ARG 484.A N ASP 480.A O no hydrogen 3.044 N/A ALA 485.A N TYR 481.A O no hydrogen 3.041 N/A ILE 486.A N ARG 482.A O no hydrogen 3.437 N/A LYS 487.A N GLN 483.A O no hydrogen 3.231 N/A ILE 488.A N ARG 484.A O no hydrogen 3.089 N/A LEU 489.A N ALA 485.A O no hydrogen 3.123 N/A ALA 490.A N ILE 486.A O no hydrogen 2.775 N/A ASN 491.A N LYS 487.A O no hydrogen 2.956 N/A SER 492.A N LEU 489.A O no hydrogen 3.055 N/A SER 492.A OG ILE 488.A O no hydrogen 3.022 N/A TYR 494.A OH THR 514.A OG1 no hydrogen 2.721 N/A TYR 496.A N SER 492.A O no hydrogen 3.045 N/A TYR 496.A OH GLU 354.A OE2 no hydrogen 2.655 N/A TYR 497.A N TYR 493.A O no hydrogen 3.259 N/A TYR 497.A N TYR 494.A O no hydrogen 3.231 N/A TYR 497.A OH VAL 418.A O no hydrogen 3.019 N/A ALA 498.A N GLY 495.A O no hydrogen 3.149 N/A TYR 499.A N TYR 496.A O no hydrogen 3.033 N/A ALA 502.A N TYR 499.A O no hydrogen 2.767 N/A ARG 503.A N GLU 354.A OE2 no hydrogen 2.602 N/A ARG 503.A NE PRO 369.A O no hydrogen 3.051 N/A ARG 503.A NH1 ASP 113.A OD2 no hydrogen 3.014 N/A ARG 503.A NH2 ASP 113.A OD2 no hydrogen 3.432 N/A ARG 503.A NH2 PRO 369.A O no hydrogen 3.463 N/A TRP 504.A N TYR 496.A OH no hydrogen 3.406 N/A CYS 506.A N TYR 497.A O no hydrogen 3.111 N/A ARG 507.A NH1 SER 383.A OG no hydrogen 2.487 N/A GLU 508.A N GLU 508.A OE2 no hydrogen 2.748 N/A ALA 510.A N CYS 506.A O no hydrogen 3.151 N/A GLU 511.A N ARG 507.A O no hydrogen 2.997 N/A SER 512.A N GLU 508.A O no hydrogen 2.979 N/A SER 512.A OG GLU 508.A O no hydrogen 2.848 N/A VAL 513.A N CYS 509.A O no hydrogen 2.930 N/A THR 514.A N ALA 510.A O no hydrogen 3.115 N/A THR 514.A OG1 TYR 494.A OH no hydrogen 2.721 N/A THR 514.A OG1 ALA 510.A O no hydrogen 2.988 N/A ALA 515.A N GLU 511.A O no hydrogen 3.215 N/A TRP 516.A N SER 512.A O no hydrogen 2.935 N/A GLY 517.A N VAL 513.A O no hydrogen 3.045 N/A ARG 518.A N THR 514.A O no hydrogen 3.242 N/A ARG 518.A NE GLU 522.A OE1 no hydrogen 2.931 N/A ARG 518.A NH1 GLN 436.A OE1 no hydrogen 3.352 N/A ARG 518.A NH2 GLU 522.A OE1 no hydrogen 3.224 N/A GLN 519.A N ALA 515.A O no hydrogen 3.196 N/A TYR 520.A N TRP 516.A O no hydrogen 2.979 N/A ILE 521.A N GLY 517.A O no hydrogen 3.102 N/A GLU 522.A N ARG 518.A O no hydrogen 2.991 N/A THR 523.A N GLN 519.A O no hydrogen 3.245 N/A THR 523.A N TYR 520.A O no hydrogen 2.937 N/A THR 523.A OG1 TYR 520.A O no hydrogen 3.354 N/A THR 524.A N TYR 520.A O no hydrogen 2.915 N/A MET 525.A N ILE 521.A O no hydrogen 2.863 N/A ARG 526.A N GLU 522.A O no hydrogen 3.006 N/A GLU 527.A N THR 523.A O no hydrogen 3.000 N/A ILE 528.A N THR 524.A O no hydrogen 3.282 N/A GLU 529.A N MET 525.A O no hydrogen 3.310 N/A GLU 530.A N ARG 526.A O no hydrogen 3.379 N/A LYS 531.A N GLU 527.A O no hydrogen 2.994 N/A PHE 534.A N ILE 528.A O no hydrogen 3.409 N/A LYS 535.A N THR 547.A O no hydrogen 2.755 N/A VAL 536.A N GLU 529.A OE1 no hydrogen 3.049 N/A LEU 537.A N PHE 545.A O no hydrogen 3.015 N/A TYR 538.A OH ASP 540.A OD2 no hydrogen 2.774 N/A TYR 538.A OH LYS 591.A O no hydrogen 2.621 N/A ASP 540.A N GLY 543.A O no hydrogen 3.106 N/A ASP 542.A N ASP 540.A OD1 no hydrogen 2.597 N/A GLY 543.A N ASP 540.A OD1 no hydrogen 3.002 N/A PHE 544.A N LEU 403.A O no hydrogen 3.155 N/A PHE 545.A N TYR 538.A O no hydrogen 2.821 N/A ALA 546.A N VAL 401.A O no hydrogen 3.007 N/A THR 547.A N LYS 535.A O no hydrogen 3.237 N/A THR 547.A OG1 GLU 398.A O no hydrogen 3.324 N/A THR 547.A OG1 ASN 399.A O no hydrogen 2.749 N/A THR 555.A N ASP 552.A OD1 no hydrogen 2.596 N/A THR 555.A OG1 ASP 552.A OD1 no hydrogen 2.785 N/A THR 555.A OG1 ASP 552.A OD2 no hydrogen 2.630 N/A VAL 556.A N ASP 552.A O no hydrogen 3.272 N/A LYS 557.A N ALA 553.A O no hydrogen 3.072 N/A LYS 557.A NZ GLU 599.A OE1 no hydrogen 3.125 N/A LYS 557.A NZ GLU 599.A OE2 no hydrogen 3.235 N/A ASN 558.A N GLU 554.A O no hydrogen 3.045 N/A LYS 559.A N THR 555.A O no hydrogen 3.013 N/A LYS 559.A NZ PHE 532.A O no hydrogen 2.977 N/A ALA 560.A N VAL 556.A O no hydrogen 2.963 N/A LYS 561.A N LYS 557.A O no hydrogen 2.993 N/A GLU 562.A N ASN 558.A O no hydrogen 2.928 N/A PHE 563.A N LYS 559.A O no hydrogen 3.046 N/A PHE 563.A N ALA 560.A O no hydrogen 2.768 N/A LEU 564.A N ALA 560.A O no hydrogen 3.079 N/A TYR 566.A N PHE 563.A O no hydrogen 3.219 N/A ILE 567.A N PHE 563.A O no hydrogen 2.990 N/A ASN 568.A N LEU 564.A O no hydrogen 2.798 N/A ARG 570.A N ILE 567.A O no hydrogen 2.758 N/A LEU 571.A N ASN 568.A O no hydrogen 3.251 N/A GLU 578.A N ASP 404.A O no hydrogen 2.874 N/A GLU 580.A N TYR 402.A O no hydrogen 2.922 N/A TYR 583.A N ILE 400.A O no hydrogen 2.613 N/A TYR 583.A OH GLU 580.A OE1 no hydrogen 2.896 N/A ARG 584.A N ILE 597.A O no hydrogen 2.996 N/A ARG 585.A NH1 LEU 631.A O no hydrogen 2.967 N/A GLY 586.A N TRP 397.A O no hydrogen 3.014 N/A PHE 587.A N ALA 595.A O no hydrogen 3.091 N/A VAL 589.A N LYS 593.A O no hydrogen 2.994 N/A THR 590.A N LYS 593.A O no hydrogen 3.278 N/A THR 590.A OG1 GLU 391.A OE2 no hydrogen 2.611 N/A LYS 591.A N THR 590.A OG1 no hydrogen 2.437 N/A LYS 592.A NZ ASP 542.A OD2 no hydrogen 3.033 N/A LYS 593.A N THR 590.A O no hydrogen 2.864 N/A TYR 594.A N ARG 606.A O no hydrogen 3.267 N/A ALA 595.A N PHE 587.A O no hydrogen 3.206 N/A VAL 596.A N THR 604.A O no hydrogen 3.047 N/A ILE 597.A N ARG 585.A O no hydrogen 3.344 N/A ASP 598.A N LYS 602.A O no hydrogen 3.292 N/A GLU 600.A N ASP 598.A OD2 no hydrogen 2.947 N/A ASP 601.A N ASP 598.A O no hydrogen 3.250 N/A LYS 602.A N ASP 598.A OD2 no hydrogen 2.849 N/A THR 604.A N VAL 596.A O no hydrogen 2.841 N/A ARG 606.A NH1 TYR 594.A OH no hydrogen 3.085 N/A ARG 612.A NH1 ASN 712.A O no hydrogen 3.187 N/A ARG 612.A NH2 ASN 712.A O no hydrogen 2.443 N/A ILE 618.A N LYS 659.A O no hydrogen 3.110 N/A ALA 619.A N SER 616.A OG no hydrogen 3.274 N/A LYS 620.A N SER 616.A O no hydrogen 3.201 N/A GLU 621.A N GLU 617.A O no hydrogen 2.755 N/A THR 622.A N ILE 618.A O no hydrogen 2.948 N/A THR 622.A OG1 ILE 618.A O no hydrogen 2.570 N/A GLN 623.A N ALA 619.A O no hydrogen 3.228 N/A GLN 623.A NE2 ALA 717.A O no hydrogen 2.684 N/A ARG 625.A N GLU 621.A O no hydrogen 3.279 N/A ARG 625.A NH1 GLU 645.A OE2 no hydrogen 3.445 N/A ARG 625.A NH2 GLU 645.A OE2 no hydrogen 3.496 N/A VAL 626.A N THR 622.A O no hydrogen 2.914 N/A LEU 627.A N GLN 623.A O no hydrogen 2.776 N/A GLU 628.A N ALA 624.A O no hydrogen 2.873 N/A ALA 629.A N ARG 625.A O no hydrogen 3.046 N/A ILE 630.A N VAL 626.A O no hydrogen 3.244 N/A LEU 631.A N LEU 627.A O no hydrogen 2.943 N/A LYS 632.A N GLU 628.A O no hydrogen 2.963 N/A HIS 633.A N GLU 628.A O no hydrogen 3.259 N/A HIS 633.A N ALA 629.A O no hydrogen 3.268 N/A ASP 635.A N ALA 629.A O no hydrogen 3.219 N/A GLU 638.A N ASP 635.A OD1 no hydrogen 2.544 N/A ALA 639.A N VAL 636.A O no hydrogen 3.055 N/A VAL 640.A N GLU 637.A O no hydrogen 2.825 N/A ARG 641.A N GLU 637.A O no hydrogen 3.066 N/A ARG 641.A NH2 GLU 638.A OE1 no hydrogen 2.706 N/A ILE 642.A N GLU 638.A O no hydrogen 3.062 N/A VAL 643.A N ALA 639.A O no hydrogen 3.524 N/A LYS 644.A N VAL 640.A O no hydrogen 3.178 N/A GLU 645.A N ARG 641.A O no hydrogen 2.975 N/A VAL 646.A N ILE 642.A O no hydrogen 3.039 N/A THR 647.A N VAL 643.A O no hydrogen 3.088 N/A THR 647.A OG1 VAL 643.A O no hydrogen 3.470 N/A THR 647.A OG1 LYS 644.A O no hydrogen 2.742 N/A THR 647.A OG1 LEU 732.A O no hydrogen 3.536 N/A GLU 648.A N LYS 644.A O no hydrogen 2.688 N/A LYS 649.A N GLU 645.A O no hydrogen 3.238 N/A LEU 650.A N VAL 646.A O no hydrogen 2.753 N/A ARG 652.A N LYS 649.A O no hydrogen 2.962 N/A ARG 652.A NH2 GLU 648.A OE2 no hydrogen 3.123 N/A GLU 654.A N LYS 649.A O no hydrogen 3.212 N/A VAL 655.A N TYR 704.A OH no hydrogen 3.327 N/A LYS 659.A N PRO 656.A O no hydrogen 3.032 N/A LEU 660.A N PRO 657.A O no hydrogen 3.037 N/A ILE 662.A N TYR 678.A O no hydrogen 3.116 N/A GLU 664.A N ILE 676.A O no hydrogen 3.057 N/A ALA 665.A N ARG 613.A O no hydrogen 3.440 N/A HIS 668.A N GLY 666.A O no hydrogen 2.490 N/A ILE 676.A N GLU 664.A O no hydrogen 3.183 N/A ILE 679.A N ILE 692.A O no hydrogen 3.030 N/A VAL 680.A N TYR 709.A OH no hydrogen 2.660 N/A LYS 682.A N ARG 703.A O no hydrogen 2.582 N/A GLY 683.A N ASP 689.A OD1 no hydrogen 3.356 N/A ILE 692.A N ILE 679.A O no hydrogen 3.195 N/A LYS 701.A N ASP 698.A O no hydrogen 2.823 N/A HIS 702.A N ASP 698.A O no hydrogen 2.783 N/A TYR 708.A N ASP 705.A O no hydrogen 3.071 N/A TYR 709.A N ASP 705.A O no hydrogen 3.448 N/A TYR 709.A OH LEU 660.A O no hydrogen 3.337 N/A ASN 712.A N TYR 708.A O no hydrogen 3.283 N/A ASN 712.A ND2 TYR 708.A O no hydrogen 3.621 N/A VAL 714.A N TYR 709.A O no hydrogen 3.094 N/A LEU 715.A N ILE 710.A O no hydrogen 3.198 N/A VAL 718.A N LEU 715.A O no hydrogen 2.750 N/A GLU 719.A N LEU 715.A O no hydrogen 2.627 N/A LEU 722.A N VAL 718.A O no hydrogen 3.226 N/A ARG 723.A N GLU 719.A O no hydrogen 2.865 N/A ALA 724.A N ARG 720.A O no hydrogen 3.318 N/A ALA 724.A N ILE 721.A O no hydrogen 3.073 N/A PHE 725.A N LEU 722.A O no hydrogen 3.016 N/A GLY 726.A N ARG 723.A O no hydrogen 3.089 N/A TYR 727.A N LEU 722.A O no hydrogen 3.001 N/A ARG 728.A N ASP 731.A OD2 no hydrogen 3.421 N/A ASP 731.A N ARG 728.A O no hydrogen 2.917 N/A LEU 732.A N LYS 729.A O no hydrogen 3.140 N/A ARG 733.A N LYS 729.A O no hydrogen 3.168 N/A