Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8asp_a.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ THR 302.A O no hydrogen 3.299 N/A LYS 2.A NZ ASN 303.A OD1 no hydrogen 2.680 N/A ASP 6.A N ALA 173.A O no hydrogen 2.859 N/A ASN 8.A N VAL 171.A O no hydrogen 2.408 N/A TRP 17.A N PHE 14.A O no hydrogen 3.156 N/A GLY 18.A N GLU 15.A O no hydrogen 2.919 N/A LYS 19.A N LYS 16.A O no hydrogen 3.341 N/A THR 26.A N ASP 24.A OD1 no hydrogen 2.642 N/A THR 26.A OG1 ASP 24.A OD1 no hydrogen 3.061 N/A THR 26.A OG1 ASP 24.A OD2 no hydrogen 3.197 N/A ALA 28.A N ASP 24.A O no hydrogen 3.056 N/A ARG 29.A NH1 ARG 25.A O no hydrogen 3.350 N/A GLY 30.A N LEU 27.A O no hydrogen 3.311 N/A THR 33.A OG1 THR 35.A OG1 no hydrogen 3.280 N/A THR 34.A N GLN 703.A O no hydrogen 3.000 N/A THR 34.A OG1 ARG 705.A O no hydrogen 3.534 N/A THR 35.A OG1 THR 33.A OG1 no hydrogen 3.280 N/A TRP 36.A N THR 33.A O no hydrogen 3.328 N/A TRP 36.A NE1 LEU 27.A O no hydrogen 2.485 N/A ILE 37.A N THR 34.A O no hydrogen 2.923 N/A ASN 39.A N THR 35.A O no hydrogen 2.881 N/A LEU 40.A N TRP 36.A O no hydrogen 3.176 N/A HIS 41.A N ILE 37.A O no hydrogen 3.243 N/A ALA 42.A N ASN 39.A O no hydrogen 2.927 N/A ASN 43.A N ASN 39.A O no hydrogen 2.931 N/A SER 49.A OG ASP 46.A O no hydrogen 3.229 N/A SER 49.A OG ASP 46.A OD2 no hydrogen 3.185 N/A GLN 50.A N PHE 47.A O no hydrogen 3.274 N/A GLN 50.A NE2 ASN 43.A O no hydrogen 3.308 N/A GLN 50.A NE2 ALA 44.A O no hydrogen 2.434 N/A GLN 50.A NE2 ASP 46.A O no hydrogen 3.289 N/A THR 51.A N PHE 47.A O no hydrogen 3.489 N/A ASP 53.A N THR 51.A OG1 no hydrogen 3.407 N/A GLU 55.A N ASP 53.A OD1 no hydrogen 3.287 N/A ASP 56.A N ASP 53.A OD2 no hydrogen 3.278 N/A VAL 57.A N ASP 53.A O no hydrogen 3.342 N/A SER 58.A N LEU 54.A O no hydrogen 2.916 N/A SER 58.A OG LEU 54.A O no hydrogen 2.763 N/A ARG 59.A N GLU 55.A O no hydrogen 2.941 N/A ARG 59.A NE PRO 174.A O no hydrogen 2.724 N/A ARG 59.A NH2 ASP 6.A OD2 no hydrogen 2.863 N/A ARG 59.A NH2 PRO 174.A O no hydrogen 3.100 N/A LYS 60.A N ASP 56.A O no hydrogen 2.944 N/A LYS 60.A NZ GLN 50.A OE1 no hydrogen 3.170 N/A ILE 61.A N VAL 57.A O no hydrogen 2.904 N/A PHE 62.A N SER 58.A O no hydrogen 2.919 N/A SER 63.A N ARG 59.A O no hydrogen 3.041 N/A SER 63.A OG GLY 165.A O no hydrogen 2.934 N/A ALA 64.A N LYS 60.A O no hydrogen 2.889 N/A HIS 65.A N ILE 61.A O no hydrogen 2.911 N/A PHE 66.A N PHE 62.A O no hydrogen 2.995 N/A GLY 67.A N SER 63.A O no hydrogen 2.912 N/A HIS 68.A N ALA 64.A O no hydrogen 2.945 N/A LEU 69.A N HIS 65.A O no hydrogen 2.961 N/A ALA 70.A N PHE 66.A O no hydrogen 2.925 N/A VAL 71.A N GLY 67.A O no hydrogen 2.940 N/A VAL 72.A N HIS 68.A O no hydrogen 2.937 N/A PHE 73.A N LEU 69.A O no hydrogen 2.898 N/A VAL 74.A N ALA 70.A O no hydrogen 2.929 N/A TRP 75.A N VAL 71.A O no hydrogen 2.939 N/A LEU 76.A N VAL 72.A O no hydrogen 2.906 N/A SER 77.A N PHE 73.A O no hydrogen 2.907 N/A SER 77.A OG VAL 74.A O no hydrogen 3.097 N/A GLY 78.A N VAL 74.A O no hydrogen 2.891 N/A MET 79.A N TRP 75.A O no hydrogen 2.923 N/A TYR 80.A N LEU 76.A O no hydrogen 2.958 N/A PHE 81.A N SER 77.A O no hydrogen 2.891 N/A HIS 82.A N GLY 78.A O no hydrogen 2.902 N/A GLY 83.A N MET 79.A O no hydrogen 2.929 N/A ALA 84.A N TYR 80.A O no hydrogen 2.894 N/A ALA 84.A N PHE 81.A O no hydrogen 3.072 N/A LYS 85.A N PHE 81.A O no hydrogen 2.920 N/A SER 87.A OG GLY 83.A O no hydrogen 2.240 N/A ASN 88.A N SER 102.A O no hydrogen 3.323 N/A ASN 88.A ND2 LYS 100.A O no hydrogen 3.198 N/A TYR 89.A N SER 87.A OG no hydrogen 3.290 N/A TYR 89.A OH PHE 141.A O no hydrogen 2.532 N/A TRP 92.A N ASN 88.A O no hydrogen 2.673 N/A LEU 93.A N TYR 89.A O no hydrogen 2.892 N/A HIS 98.A ND1 ASP 95.A OD1 no hydrogen 2.730 N/A LYS 100.A N VAL 119.A O no hydrogen 2.877 N/A SER 102.A OG ILE 126.A O no hydrogen 2.651 N/A VAL 106.A N ASN 116.A OD1 no hydrogen 2.936 N/A GLN 112.A NE2 TRP 107.A O no hydrogen 2.736 N/A ILE 114.A N GLY 111.A O no hydrogen 3.412 N/A LEU 115.A N GLN 112.A O no hydrogen 2.899 N/A ASN 116.A N GLY 113.A O no hydrogen 3.103 N/A ASN 116.A ND2 VAL 106.A O no hydrogen 2.694 N/A GLY 117.A N LEU 115.A O no hydrogen 2.756 N/A VAL 119.A N PHE 123.A O no hydrogen 3.249 N/A PHE 123.A N GLY 120.A O no hydrogen 3.363 N/A GLY 125.A N GLY 117.A O no hydrogen 3.129 N/A ILE 126.A N GLN 104.A O no hydrogen 2.637 N/A ILE 128.A N PRO 101.A O no hydrogen 3.329 N/A THR 129.A OG1 SER 377.A OG no hydrogen 3.410 N/A TYR 134.A OH ASP 371.A OD2 no hydrogen 2.521 N/A LEU 135.A N GLY 131.A O no hydrogen 3.308 N/A TRP 136.A N LEU 132.A O no hydrogen 2.895 N/A ARG 137.A N PHE 133.A O no hydrogen 2.896 N/A ARG 137.A NH1 ASP 217.A OD1 no hydrogen 3.332 N/A ARG 137.A NH2 ASP 217.A OD1 no hydrogen 3.004 N/A ALA 138.A N TYR 134.A O no hydrogen 2.927 N/A SER 139.A N LEU 135.A O no hydrogen 2.897 N/A SER 139.A OG LEU 135.A O no hydrogen 2.843 N/A GLY 140.A N ARG 137.A O no hydrogen 3.238 N/A PHE 141.A N TRP 136.A O no hydrogen 2.959 N/A THR 142.A N GLN 146.A OE1 no hydrogen 3.229 N/A SER 144.A OG GLU 90.A OE1 no hydrogen 3.079 N/A TYR 145.A N ASP 143.A OD2 no hydrogen 2.844 N/A TYR 148.A N SER 144.A O no hydrogen 2.918 N/A CYS 149.A N TYR 145.A O no hydrogen 2.901 N/A CYS 149.A SG TYR 145.A O no hydrogen 3.317 N/A THR 150.A N GLN 146.A O no hydrogen 2.895 N/A THR 150.A OG1 GLN 146.A O no hydrogen 2.485 N/A ALA 151.A N LEU 147.A O no hydrogen 2.922 N/A ILE 152.A N TYR 148.A O no hydrogen 2.943 N/A GLY 153.A N CYS 149.A O no hydrogen 2.910 N/A GLY 154.A N THR 150.A O no hydrogen 2.880 N/A LEU 155.A N ALA 151.A O no hydrogen 2.954 N/A VAL 156.A N ILE 152.A O no hydrogen 2.958 N/A MET 157.A N GLY 153.A O no hydrogen 2.873 N/A ALA 158.A N GLY 154.A O no hydrogen 2.901 N/A ALA 159.A N LEU 155.A O no hydrogen 2.982 N/A LEU 160.A N VAL 156.A O no hydrogen 2.899 N/A MET 161.A N MET 157.A O no hydrogen 2.862 N/A LEU 162.A N ALA 158.A O no hydrogen 2.969 N/A PHE 163.A N ALA 159.A O no hydrogen 2.952 N/A ALA 164.A N LEU 160.A O no hydrogen 2.847 N/A GLY 165.A N MET 161.A O no hydrogen 2.937 N/A TRP 166.A N LEU 162.A O no hydrogen 2.997 N/A TRP 166.A NE1 THR 12.A OG1 no hydrogen 3.224 N/A PHE 167.A N PHE 163.A O no hydrogen 2.857 N/A HIS 168.A N ALA 164.A O no hydrogen 2.874 N/A TYR 169.A N GLY 165.A O no hydrogen 3.007 N/A HIS 170.A N TRP 166.A O no hydrogen 2.855 N/A VAL 171.A N PHE 167.A O no hydrogen 3.146 N/A LYS 172.A N PHE 167.A O no hydrogen 2.820 N/A ALA 173.A N ASP 6.A O no hydrogen 2.928 N/A LYS 175.A N SER 4.A O no hydrogen 2.775 N/A LEU 176.A N GLU 55.A OE2 no hydrogen 2.651 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.415 N/A PHE 179.A N LYS 175.A O no hydrogen 3.383 N/A GLN 180.A N LEU 176.A O no hydrogen 3.196 N/A GLN 180.A N GLU 177.A O no hydrogen 3.318 N/A GLN 180.A NE2 THR 334.A O no hydrogen 2.677 N/A ASN 181.A N TRP 178.A O no hydrogen 3.468 N/A VAL 182.A N GLN 180.A O no hydrogen 2.783 N/A GLU 183.A N GLU 183.A OE1 no hydrogen 2.841 N/A MET 185.A N ASN 181.A O no hydrogen 2.853 N/A MET 186.A N VAL 182.A O no hydrogen 2.887 N/A ASN 187.A N GLU 183.A O no hydrogen 2.924 N/A ASN 187.A ND2 TYR 300.A O no hydrogen 3.330 N/A HIS 188.A N SER 184.A O no hydrogen 2.924 N/A HIS 188.A ND1 SER 184.A O no hydrogen 3.275 N/A HIS 189.A N MET 185.A O no hydrogen 2.887 N/A LEU 190.A N MET 186.A O no hydrogen 2.895 N/A ALA 191.A N ASN 187.A O no hydrogen 2.938 N/A GLY 192.A N HIS 188.A O no hydrogen 2.922 N/A GLY 195.A N LEU 190.A O no hydrogen 3.052 N/A LEU 196.A N ALA 191.A O no hydrogen 3.054 N/A GLY 197.A N LEU 193.A O no hydrogen 3.003 N/A SER 198.A N LEU 194.A O no hydrogen 2.895 N/A SER 198.A OG LEU 194.A O no hydrogen 2.610 N/A LEU 199.A N GLY 195.A O no hydrogen 2.913 N/A GLY 200.A N LEU 196.A O no hydrogen 2.879 N/A TRP 201.A N GLY 197.A O no hydrogen 2.918 N/A ALA 202.A N SER 198.A O no hydrogen 2.871 N/A GLY 203.A N LEU 199.A O no hydrogen 2.913 N/A HIS 204.A N GLY 200.A O no hydrogen 2.900 N/A GLN 205.A N TRP 201.A O no hydrogen 2.866 N/A GLN 205.A NE2 TRP 201.A O no hydrogen 3.505 N/A ILE 206.A N ALA 202.A O no hydrogen 2.917 N/A HIS 207.A N GLY 203.A O no hydrogen 2.908 N/A VAL 208.A N HIS 204.A O no hydrogen 2.721 N/A SER 209.A N HIS 204.A O no hydrogen 3.238 N/A SER 209.A OG ALA 138.A O no hydrogen 3.152 N/A MET 210.A N GLN 205.A O no hydrogen 2.904 N/A ILE 212.A N VAL 208.A O no hydrogen 3.482 N/A ASN 213.A N SER 209.A O no hydrogen 2.919 N/A ASN 213.A ND2 ARG 137.A O no hydrogen 3.214 N/A ASN 213.A ND2 ALA 138.A O no hydrogen 3.447 N/A ASN 213.A ND2 SER 209.A O no hydrogen 2.985 N/A LYS 214.A N MET 210.A O no hydrogen 2.854 N/A LEU 215.A N PRO 211.A O no hydrogen 2.959 N/A LEU 216.A N ILE 212.A O no hydrogen 2.874 N/A ASP 217.A N ASN 213.A O no hydrogen 2.890 N/A ALA 218.A N LYS 214.A O no hydrogen 3.166 N/A VAL 220.A N LEU 215.A O no hydrogen 3.307 N/A LYS 223.A NZ GLU 90.A OE2 no hydrogen 3.184 N/A ASP 224.A N ALA 221.A O no hydrogen 3.108 N/A ILE 225.A N PRO 222.A O no hydrogen 3.374 N/A GLU 230.A N LEU 227.A O no hydrogen 2.964 N/A LEU 233.A N HIS 229.A O no hydrogen 2.905 N/A GLU 234.A N GLU 230.A O no hydrogen 2.898 N/A SER 236.A N GLU 234.A OE2 no hydrogen 3.380 N/A SER 236.A OG GLU 234.A OE2 no hydrogen 2.225 N/A ALA 239.A N PRO 235.A O no hydrogen 2.901 N/A GLU 240.A N SER 236.A O no hydrogen 2.877 N/A LEU 241.A N LYS 237.A O no hydrogen 2.934 N/A TYR 242.A N MET 238.A O no hydrogen 2.833 N/A SER 244.A N ASP 262.A OD2 no hydrogen 3.186 N/A SER 244.A OG ASP 262.A OD1 no hydrogen 2.725 N/A SER 244.A OG ASP 262.A OD2 no hydrogen 3.080 N/A PHE 245.A N TYR 242.A O no hydrogen 3.149 N/A ALA 246.A N PRO 243.A O no hydrogen 2.917 N/A GLN 247.A N SER 244.A O no hydrogen 2.914 N/A GLY 248.A N PHE 245.A O no hydrogen 3.336 N/A PHE 253.A N THR 250.A O no hydrogen 3.170 N/A THR 254.A N THR 250.A O no hydrogen 3.201 N/A THR 254.A OG1 THR 250.A O no hydrogen 3.274 N/A THR 254.A OG1 PRO 251.A O no hydrogen 3.383 N/A ASN 256.A N PRO 251.A O no hydrogen 2.891 N/A TRP 257.A NE1 PHE 252.A O no hydrogen 3.025 N/A VAL 259.A N ASN 256.A O no hydrogen 3.471 N/A TYR 260.A N TRP 257.A O no hydrogen 2.919 N/A TYR 260.A OH GLY 248.A O no hydrogen 2.431 N/A SER 261.A N GLY 258.A O no hydrogen 2.920 N/A SER 261.A OG GLY 258.A O no hydrogen 2.916 N/A LEU 264.A N TYR 260.A O no hydrogen 3.071 N/A THR 265.A N SER 280.A OG no hydrogen 2.420 N/A THR 265.A OG1 SER 280.A OG no hydrogen 2.599 N/A THR 265.A OG1 ASP 281.A OD1 no hydrogen 2.882 N/A LYS 267.A N ASP 281.A OD1 no hydrogen 2.791 N/A GLY 268.A N ASP 281.A OD2 no hydrogen 2.628 N/A ASN 271.A N GLY 276.A O no hydrogen 2.498 N/A THR 274.A N ASN 271.A OD1 no hydrogen 3.287 N/A THR 274.A OG1 ASN 271.A OD1 no hydrogen 3.066 N/A GLY 275.A N ASN 271.A O no hydrogen 2.671 N/A GLY 276.A N THR 274.A OG1 no hydrogen 3.301 N/A SER 280.A OG THR 265.A OG1 no hydrogen 2.599 N/A THR 282.A N TRP 278.A O no hydrogen 3.091 N/A THR 282.A OG1 TRP 278.A O no hydrogen 3.166 N/A ALA 283.A N LEU 279.A O no hydrogen 2.861 N/A HIS 284.A N SER 280.A O no hydrogen 2.972 N/A HIS 285.A N ASP 281.A O no hydrogen 2.882 N/A HIS 286.A N THR 282.A O no hydrogen 2.881 N/A LEU 287.A N ALA 283.A O no hydrogen 2.929 N/A ALA 288.A N HIS 284.A O no hydrogen 2.856 N/A ILE 289.A N HIS 285.A O no hydrogen 2.936 N/A ALA 290.A N HIS 286.A O no hydrogen 2.893 N/A VAL 291.A N LEU 287.A O no hydrogen 2.952 N/A LEU 292.A N ALA 288.A O no hydrogen 2.890 N/A PHE 293.A N ILE 289.A O no hydrogen 2.863 N/A ILE 294.A N ALA 290.A O no hydrogen 2.936 N/A ILE 295.A N VAL 291.A O no hydrogen 2.924 N/A ALA 296.A N LEU 292.A O no hydrogen 2.816 N/A GLY 297.A N PHE 293.A O no hydrogen 2.924 N/A HIS 298.A ND1 ILE 294.A O no hydrogen 3.172 N/A TYR 300.A N ASN 187.A OD1 no hydrogen 3.410 N/A ARG 301.A N HIS 308.A O no hydrogen 2.579 N/A ARG 301.A NH1 GLY 305.A O no hydrogen 3.381 N/A HIS 308.A N MET 299.A O no hydrogen 2.679 N/A LYS 311.A NZ GLU 315.A OE2 no hydrogen 3.443 N/A ILE 313.A N SER 309.A O no hydrogen 3.156 N/A LEU 314.A N MET 310.A O no hydrogen 2.932 N/A GLU 315.A N LYS 311.A O no hydrogen 2.904 N/A ALA 316.A N ILE 313.A O no hydrogen 3.302 N/A HIS 317.A ND1 ILE 313.A O no hydrogen 3.020 N/A LYS 318.A NZ GLY 323.A O no hydrogen 3.020 N/A GLU 324.A N ASN 412.A O no hydrogen 2.981 N/A GLY 325.A N THR 322.A O no hydrogen 2.927 N/A HIS 326.A ND1 HIS 317.A O no hydrogen 3.102 N/A LYS 327.A N GLY 325.A O no hydrogen 2.805 N/A LYS 327.A NZ GLU 324.A OE1 no hydrogen 2.450 N/A ILE 332.A N GLY 328.A O no hydrogen 3.162 N/A LEU 333.A N LEU 329.A O no hydrogen 2.912 N/A THR 334.A OG1 TYR 330.A O no hydrogen 2.260 N/A THR 335.A OG1 GLU 331.A O no hydrogen 2.356 N/A SER 336.A N ILE 332.A O no hydrogen 3.297 N/A SER 336.A OG ASP 404.A OD2 no hydrogen 2.539 N/A TRP 337.A NE1 SER 58.A OG no hydrogen 3.140 N/A GLN 340.A NE2 LEU 333.A O no hydrogen 2.790 N/A LEU 341.A N TRP 337.A O no hydrogen 2.903 N/A ALA 342.A N HIS 338.A O no hydrogen 2.879 N/A ILE 343.A N ALA 339.A O no hydrogen 2.987 N/A ASN 344.A N GLN 340.A O no hydrogen 2.909 N/A LEU 345.A N LEU 341.A O no hydrogen 2.833 N/A ALA 346.A N ALA 342.A O no hydrogen 2.974 N/A LEU 347.A N ILE 343.A O no hydrogen 2.975 N/A LEU 348.A N ASN 344.A O no hydrogen 2.823 N/A GLY 349.A N LEU 345.A O no hydrogen 2.889 N/A SER 350.A N ALA 346.A O no hydrogen 3.001 N/A SER 350.A OG ALA 346.A O no hydrogen 2.983 N/A LEU 351.A N LEU 347.A O no hydrogen 2.862 N/A THR 352.A N LEU 348.A O no hydrogen 2.915 N/A THR 352.A OG1 HIS 382.A O no hydrogen 2.634 N/A ILE 353.A N GLY 349.A O no hydrogen 2.977 N/A ILE 354.A N SER 350.A O no hydrogen 2.895 N/A VAL 355.A N LEU 351.A O no hydrogen 2.861 N/A ALA 356.A N THR 352.A O no hydrogen 2.872 N/A GLN 357.A N ILE 353.A O no hydrogen 2.952 N/A HIS 358.A N ILE 354.A O no hydrogen 2.883 N/A HIS 358.A N VAL 355.A O no hydrogen 3.330 N/A MET 359.A N VAL 355.A O no hydrogen 2.886 N/A MET 362.A N HIS 358.A O no hydrogen 3.346 N/A TYR 365.A N GLN 368.A OE1 no hydrogen 3.407 N/A TYR 367.A N THR 274.A O no hydrogen 2.772 N/A GLN 368.A N TYR 365.A O no hydrogen 3.343 N/A ASP 371.A N GLN 368.A O no hydrogen 3.162 N/A TYR 372.A OH VAL 509.A O no hydrogen 2.918 N/A TYR 372.A OH GLY 608.A O no hydrogen 2.979 N/A THR 374.A OG1 THR 129.A O no hydrogen 3.420 N/A THR 374.A OG1 ASP 371.A OD2 no hydrogen 2.629 N/A GLN 375.A N ASP 371.A O no hydrogen 3.155 N/A LEU 376.A N TYR 372.A O no hydrogen 2.951 N/A SER 377.A N ALA 373.A O no hydrogen 2.902 N/A SER 377.A OG ALA 373.A O no hydrogen 2.519 N/A LEU 378.A N THR 374.A O no hydrogen 2.901 N/A PHE 379.A N GLN 375.A O no hydrogen 2.987 N/A THR 380.A N LEU 376.A O no hydrogen 2.963 N/A THR 380.A OG1 LEU 376.A O no hydrogen 2.821 N/A THR 380.A OG1 SER 377.A O no hydrogen 3.009 N/A HIS 381.A N SER 377.A O no hydrogen 2.880 N/A HIS 382.A N LEU 378.A O no hydrogen 3.031 N/A MET 383.A N PHE 379.A O no hydrogen 2.928 N/A TRP 384.A N THR 380.A O no hydrogen 2.930 N/A ILE 385.A N HIS 381.A O no hydrogen 3.003 N/A GLY 386.A N HIS 382.A O no hydrogen 2.963 N/A GLY 387.A N MET 383.A O no hydrogen 2.996 N/A PHE 388.A N TRP 384.A O no hydrogen 2.967 N/A LEU 389.A N ILE 385.A O no hydrogen 2.974 N/A ILE 390.A N GLY 386.A O no hydrogen 2.954 N/A VAL 391.A N GLY 387.A O no hydrogen 3.022 N/A GLY 392.A N PHE 388.A O no hydrogen 2.925 N/A ALA 393.A N LEU 389.A O no hydrogen 2.930 N/A GLY 394.A N ILE 390.A O no hydrogen 3.000 N/A ALA 395.A N VAL 391.A O no hydrogen 2.931 N/A HIS 396.A N GLY 392.A O no hydrogen 2.903 N/A GLY 397.A N ALA 393.A O no hydrogen 2.958 N/A ILE 399.A N ALA 395.A O no hydrogen 2.995 N/A PHE 400.A N HIS 396.A O no hydrogen 2.937 N/A MET 401.A N GLY 397.A O no hydrogen 2.931 N/A VAL 402.A N ALA 398.A O no hydrogen 2.920 N/A ARG 403.A N ILE 399.A O no hydrogen 2.945 N/A ARG 403.A NH1 ASP 48.A OD1 no hydrogen 2.683 N/A ARG 403.A NH2 ASP 46.A OD2 no hydrogen 3.524 N/A ASP 404.A N PHE 400.A O no hydrogen 2.732 N/A TYR 405.A N PHE 400.A O no hydrogen 3.047 N/A ASN 410.A N PRO 407.A O no hydrogen 3.183 N/A ASN 410.A ND2 ASP 406.A O no hydrogen 3.224 N/A ASN 412.A N ASP 416.A OD2 no hydrogen 3.186 N/A ASN 413.A ND2 LYS 327.A O no hydrogen 3.258 N/A ASN 413.A ND2 ASN 410.A OD1 no hydrogen 2.630 N/A LEU 414.A N GLY 325.A O no hydrogen 3.299 N/A ASP 416.A N ASN 413.A OD1 no hydrogen 3.245 N/A ARG 417.A N ASN 413.A O no hydrogen 3.033 N/A ARG 417.A NH1 ASN 412.A OD1 no hydrogen 2.832 N/A ARG 417.A NH2 PHE 321.A O no hydrogen 2.555 N/A MET 418.A N LEU 414.A O no hydrogen 2.895 N/A LEU 419.A N LEU 415.A O no hydrogen 2.934 N/A ARG 420.A N ARG 417.A O no hydrogen 3.076 N/A HIS 421.A N ARG 417.A O no hydrogen 3.238 N/A HIS 421.A ND1 ARG 417.A O no hydrogen 3.009 N/A ARG 422.A NH1 LEU 543.A O no hydrogen 3.394 N/A ILE 425.A N HIS 421.A O no hydrogen 3.090 N/A ILE 426.A N ARG 422.A O no hydrogen 2.905 N/A SER 427.A N ASP 423.A O no hydrogen 2.885 N/A SER 427.A OG ASP 423.A O no hydrogen 2.590 N/A SER 427.A OG ALA 424.A O no hydrogen 2.807 N/A HIS 428.A N ALA 424.A O no hydrogen 2.941 N/A LEU 429.A N ILE 425.A O no hydrogen 2.898 N/A ASN 430.A N ILE 426.A O no hydrogen 2.836 N/A TRP 431.A N SER 427.A O no hydrogen 2.929 N/A VAL 432.A N HIS 428.A O no hydrogen 2.930 N/A CYS 433.A N LEU 429.A O no hydrogen 2.899 N/A CYS 433.A SG LEU 429.A O no hydrogen 3.159 N/A ILE 434.A N ASN 430.A O no hydrogen 2.932 N/A PHE 435.A N TRP 431.A O no hydrogen 2.876 N/A LEU 436.A N VAL 432.A O no hydrogen 2.891 N/A GLY 437.A N CYS 433.A O no hydrogen 2.940 N/A PHE 438.A N ILE 434.A O no hydrogen 2.847 N/A HIS 439.A N PHE 435.A O no hydrogen 2.939 N/A SER 440.A N LEU 436.A O no hydrogen 2.956 N/A SER 440.A OG LEU 436.A O no hydrogen 2.571 N/A SER 440.A OG GLY 437.A O no hydrogen 3.473 N/A PHE 441.A N GLY 437.A O no hydrogen 2.929 N/A GLY 442.A N PHE 438.A O no hydrogen 2.813 N/A LEU 443.A N HIS 439.A O no hydrogen 2.909 N/A TYR 444.A N SER 440.A O no hydrogen 3.061 N/A TYR 444.A OH ALA 628.A O no hydrogen 3.155 N/A ILE 445.A N PHE 441.A O no hydrogen 2.896 N/A HIS 446.A N GLY 442.A O no hydrogen 2.782 N/A ASN 447.A N LEU 443.A O no hydrogen 2.922 N/A ASN 447.A ND2 PHE 460.A O no hydrogen 2.909 N/A ASN 447.A ND2 ILE 629.A O no hydrogen 3.378 N/A ASP 448.A N TYR 444.A O no hydrogen 2.941 N/A THR 449.A N ILE 445.A O no hydrogen 2.903 N/A THR 449.A OG1 ILE 445.A O no hydrogen 2.734 N/A MET 450.A N HIS 446.A O no hydrogen 2.905 N/A ARG 451.A N ASN 447.A O no hydrogen 2.920 N/A ARG 451.A NH1 GLN 626.A O no hydrogen 3.206 N/A ARG 451.A NH2 GLN 626.A O no hydrogen 2.942 N/A ALA 452.A N ASP 448.A O no hydrogen 2.902 N/A LEU 453.A N THR 449.A O no hydrogen 2.929 N/A GLY 454.A N ARG 451.A O no hydrogen 3.294 N/A ARG 455.A N MET 450.A O no hydrogen 2.994 N/A ARG 455.A NE ASP 458.A OD2 no hydrogen 2.890 N/A ARG 455.A NH2 ASP 458.A OD2 no hydrogen 2.829 N/A GLN 457.A N GLN 457.A OE1 no hydrogen 2.769 N/A ASP 458.A N ARG 455.A O no hydrogen 3.264 N/A MET 459.A N PRO 456.A O no hydrogen 3.384 N/A PHE 460.A N ASN 447.A OD1 no hydrogen 2.400 N/A SER 461.A OG THR 463.A OG1 no hydrogen 3.275 N/A THR 463.A OG1 SER 461.A OG no hydrogen 3.275 N/A ALA 464.A N SER 461.A OG no hydrogen 2.931 N/A GLN 468.A NE2 ASP 462.A OD2 no hydrogen 3.568 N/A GLN 468.A NE2 GLN 466.A OE1 no hydrogen 2.654 N/A GLN 473.A N PRO 469.A O no hydrogen 3.088 N/A GLN 473.A NE2 GLN 468.A OE1 no hydrogen 3.211 N/A GLN 473.A NE2 LEU 516.A O no hydrogen 3.252 N/A TRP 474.A N ILE 470.A O no hydrogen 2.882 N/A VAL 475.A N PHE 471.A O no hydrogen 2.947 N/A GLN 476.A N ALA 472.A O no hydrogen 2.919 N/A GLN 476.A NE2 ILE 514.A O no hydrogen 3.228 N/A HIS 477.A N GLN 473.A O no hydrogen 2.905 N/A LEU 478.A N TRP 474.A O no hydrogen 2.911 N/A HIS 479.A N VAL 475.A O no hydrogen 2.903 N/A THR 480.A N GLN 476.A O no hydrogen 2.918 N/A THR 480.A OG1 GLN 476.A O no hydrogen 2.446 N/A LEU 481.A N HIS 477.A O no hydrogen 3.185 N/A ALA 482.A N HIS 479.A O no hydrogen 3.438 N/A GLY 484.A N ALA 487.A O no hydrogen 3.184 N/A ALA 485.A N ALA 482.A O no hydrogen 3.250 N/A THR 486.A N ALA 482.A O no hydrogen 3.161 N/A ALA 487.A N ALA 482.A O no hydrogen 2.871 N/A ALA 490.A N ALA 487.A O no hydrogen 3.033 N/A LEU 491.A N PHE 266.A O no hydrogen 3.409 N/A LEU 491.A N LYS 267.A O no hydrogen 3.135 N/A ALA 492.A N LYS 267.A O no hydrogen 2.821 N/A THR 493.A OG1 SER 495.A O no hydrogen 2.474 N/A SER 495.A OG ALA 361.A O no hydrogen 2.561 N/A TYR 496.A OH GLU 501.A OE2 no hydrogen 3.194 N/A ALA 497.A N SER 495.A OG no hydrogen 3.287 N/A GLU 501.A N GLU 501.A OE1 no hydrogen 2.596 N/A ILE 503.A N MET 511.A O no hydrogen 2.909 N/A VAL 505.A N LYS 508.A O no hydrogen 2.832 N/A LYS 508.A N VAL 505.A O no hydrogen 2.957 N/A LYS 508.A NZ ILE 370.A O no hydrogen 2.331 N/A LYS 508.A NZ GLY 740.A OXT no hydrogen 3.244 N/A VAL 509.A N GLY 608.A O no hydrogen 3.085 N/A ALA 510.A N ILE 503.A O no hydrogen 2.732 N/A MET 511.A N ILE 503.A O no hydrogen 2.922 N/A ILE 514.A N ALA 497.A O no hydrogen 3.006 N/A GLY 517.A N ASP 520.A OD1 no hydrogen 3.344 N/A THR 518.A N ASP 462.A OD2 no hydrogen 3.411 N/A THR 518.A OG1 ASP 462.A OD2 no hydrogen 3.508 N/A THR 518.A OG1 GLN 466.A O no hydrogen 2.238 N/A PHE 521.A N GLY 517.A O no hydrogen 2.985 N/A MET 522.A N THR 518.A O no hydrogen 2.948 N/A VAL 523.A N ALA 519.A O no hydrogen 2.892 N/A HIS 524.A N ASP 520.A O no hydrogen 2.880 N/A HIS 525.A N PHE 521.A O no hydrogen 3.003 N/A ILE 526.A N MET 522.A O no hydrogen 2.891 N/A HIS 527.A N VAL 523.A O no hydrogen 2.871 N/A HIS 527.A NE2 HIS 597.A ND1 no hydrogen 3.121 N/A ALA 528.A N HIS 524.A O no hydrogen 2.959 N/A PHE 529.A N HIS 525.A O no hydrogen 2.922 N/A THR 530.A N ILE 526.A O no hydrogen 2.940 N/A THR 530.A OG1 ILE 526.A O no hydrogen 3.069 N/A THR 530.A OG1 HIS 527.A O no hydrogen 2.769 N/A THR 530.A OG1 SER 590.A OG no hydrogen 3.108 N/A ILE 531.A N HIS 527.A O no hydrogen 2.917 N/A HIS 532.A N ALA 528.A O no hydrogen 2.908 N/A VAL 533.A N PHE 529.A O no hydrogen 2.963 N/A THR 534.A N THR 530.A O no hydrogen 2.976 N/A THR 534.A OG1 THR 530.A O no hydrogen 2.645 N/A ALA 535.A N ILE 531.A O no hydrogen 2.897 N/A LEU 536.A N HIS 532.A O no hydrogen 2.851 N/A ILE 537.A N VAL 533.A O no hydrogen 2.977 N/A LEU 538.A N THR 534.A O no hydrogen 2.999 N/A LEU 539.A N ALA 535.A O no hydrogen 2.819 N/A LYS 540.A N LEU 536.A O no hydrogen 2.895 N/A GLY 541.A N ILE 537.A O no hydrogen 2.969 N/A VAL 542.A N LEU 538.A O no hydrogen 2.923 N/A LEU 543.A N LEU 539.A O no hydrogen 2.874 N/A TYR 544.A N LYS 540.A O no hydrogen 3.092 N/A ARG 546.A NH1 VAL 402.A O no hydrogen 3.217 N/A SER 548.A N VAL 551.A O no hydrogen 2.865 N/A SER 548.A OG VAL 551.A O no hydrogen 3.463 N/A LYS 554.A NZ TYR 544.A O no hydrogen 3.229 N/A LYS 554.A NZ VAL 574.A O no hydrogen 2.357 N/A ASN 556.A N ASP 553.A O no hydrogen 3.137 N/A GLY 558.A N ALA 555.A O no hydrogen 3.291 N/A ARG 560.A NH2 ASN 43.A OD1 no hydrogen 3.298 N/A ASP 564.A N THR 571.A O no hydrogen 3.451 N/A ASP 564.A N THR 571.A OG1 no hydrogen 3.171 N/A GLY 565.A N THR 571.A OG1 no hydrogen 2.673 N/A GLY 570.A N GLY 567.A O no hydrogen 2.825 N/A THR 571.A N GLY 565.A O no hydrogen 3.073 N/A THR 571.A OG1 GLY 565.A O no hydrogen 2.518 N/A GLN 573.A N PRO 562.A O no hydrogen 3.330 N/A SER 575.A N ASP 578.A OD2 no hydrogen 3.265 N/A SER 575.A OG PHE 561.A O no hydrogen 3.180 N/A SER 575.A OG ASP 578.A OD2 no hydrogen 2.489 N/A TRP 577.A N PHE 559.A O no hydrogen 3.427 N/A ASP 578.A N SER 575.A OG no hydrogen 3.096 N/A HIS 579.A N SER 575.A O no hydrogen 3.274 N/A HIS 579.A ND1 SER 575.A O no hydrogen 2.834 N/A VAL 580.A N GLY 576.A O no hydrogen 2.951 N/A PHE 581.A N TRP 577.A O no hydrogen 2.890 N/A LEU 582.A N ASP 578.A O no hydrogen 2.904 N/A GLY 583.A N HIS 579.A O no hydrogen 2.876 N/A LEU 584.A N VAL 580.A O no hydrogen 2.943 N/A MET 587.A N GLY 583.A O no hydrogen 2.904 N/A TYR 588.A N LEU 584.A O no hydrogen 2.947 N/A ASN 589.A N PHE 585.A O no hydrogen 2.891 N/A SER 590.A N TRP 586.A O no hydrogen 2.918 N/A SER 590.A OG THR 530.A OG1 no hydrogen 3.108 N/A LEU 591.A N MET 587.A O no hydrogen 2.915 N/A SER 592.A N TYR 588.A O no hydrogen 2.867 N/A SER 592.A OG TYR 588.A O no hydrogen 2.828 N/A ILE 593.A N ASN 589.A O no hydrogen 2.997 N/A VAL 594.A N SER 590.A O no hydrogen 2.925 N/A ILE 595.A N LEU 591.A O no hydrogen 2.903 N/A PHE 596.A N SER 592.A O no hydrogen 2.921 N/A HIS 597.A N ILE 593.A O no hydrogen 2.918 N/A HIS 597.A ND1 HIS 527.A NE2 no hydrogen 3.121 N/A PHE 598.A N VAL 594.A O no hydrogen 2.927 N/A SER 599.A N ILE 595.A O no hydrogen 2.888 N/A TRP 600.A N PHE 596.A O no hydrogen 2.947 N/A TRP 600.A NE1 ASN 623.A OD1 no hydrogen 3.211 N/A LYS 601.A N HIS 597.A O no hydrogen 2.930 N/A LYS 601.A NZ THR 515.A O no hydrogen 2.749 N/A LYS 601.A NZ ASP 520.A OD1 no hydrogen 2.800 N/A LYS 601.A NZ ASP 605.A OD2 no hydrogen 2.781 N/A MET 602.A N PHE 598.A O no hydrogen 2.890 N/A GLN 603.A N SER 599.A O no hydrogen 2.935 N/A GLN 603.A NE2 SER 599.A O no hydrogen 3.639 N/A GLN 603.A NE2 SER 599.A OG no hydrogen 2.999 N/A GLN 603.A NE2 GLN 642.A OE1 no hydrogen 2.940 N/A SER 604.A N TRP 600.A O no hydrogen 2.913 N/A SER 604.A OG ASP 605.A OD1 no hydrogen 3.351 N/A SER 604.A OG LEU 621.A O no hydrogen 2.761 N/A SER 604.A OG ASN 623.A OD1 no hydrogen 3.453 N/A ASP 605.A N LYS 601.A O no hydrogen 2.938 N/A VAL 606.A N MET 602.A O no hydrogen 3.367 N/A TRP 607.A N MET 602.A O no hydrogen 2.850 N/A GLY 608.A N TYR 372.A OH no hydrogen 3.202 N/A THR 609.A N THR 617.A O no hydrogen 2.901 N/A SER 611.A N SER 615.A O no hydrogen 2.830 N/A GLY 614.A N SER 611.A OG no hydrogen 3.157 N/A THR 617.A N THR 609.A O no hydrogen 2.907 N/A VAL 619.A N TRP 607.A O no hydrogen 3.302 N/A THR 620.A N GLN 603.A O no hydrogen 3.322 N/A THR 620.A OG1 ASN 623.A OD1 no hydrogen 3.071 N/A PHE 624.A N SER 604.A OG no hydrogen 3.156 N/A SER 627.A OG ASN 623.A O no hydrogen 3.007 N/A SER 627.A OG ASP 637.A OD2 no hydrogen 3.317 N/A ALA 628.A N PHE 624.A O no hydrogen 3.103 N/A THR 630.A N SER 627.A O no hydrogen 3.445 N/A ILE 631.A N ASP 448.A OD1 no hydrogen 2.993 N/A GLY 633.A N THR 630.A OG1 no hydrogen 3.137 N/A TRP 634.A N THR 630.A O no hydrogen 3.184 N/A LEU 635.A N ILE 631.A O no hydrogen 2.903 N/A ARG 636.A N ASN 632.A O no hydrogen 2.890 N/A ARG 636.A NE ASP 637.A OD2 no hydrogen 2.985 N/A ARG 636.A NH2 ASP 637.A OD2 no hydrogen 3.141 N/A ASP 637.A N GLY 633.A O no hydrogen 2.882 N/A LEU 639.A N TRP 634.A O no hydrogen 3.360 N/A TRP 640.A N LEU 635.A O no hydrogen 3.142 N/A ALA 641.A N ARG 636.A O no hydrogen 3.117 N/A GLN 642.A N PHE 638.A O no hydrogen 3.284 N/A ALA 643.A N LEU 639.A O no hydrogen 2.912 N/A VAL 646.A N ALA 643.A O no hydrogen 3.223 N/A ILE 647.A N ALA 643.A O no hydrogen 2.950 N/A ASN 648.A N ALA 644.A O no hydrogen 2.909 N/A SER 649.A OG LEU 654.A O no hydrogen 3.354 N/A SER 652.A N SER 649.A O no hydrogen 3.461 N/A SER 652.A OG SER 649.A O no hydrogen 3.129 N/A LEU 654.A N SER 652.A OG no hydrogen 3.306 N/A SER 655.A N SER 652.A O no hydrogen 3.243 N/A SER 655.A OG SER 652.A O no hydrogen 2.986 N/A GLY 658.A N LEU 654.A O no hydrogen 3.442 N/A ILE 659.A N SER 655.A O no hydrogen 2.867 N/A MET 660.A N ALA 656.A O no hydrogen 2.744 N/A PHE 661.A N TYR 657.A O no hydrogen 2.655 N/A LEU 662.A N GLY 658.A O no hydrogen 3.091 N/A ALA 663.A N ILE 659.A O no hydrogen 2.841 N/A GLY 664.A N MET 660.A O no hydrogen 2.871 N/A HIS 665.A N PHE 661.A O no hydrogen 3.204 N/A PHE 666.A N LEU 662.A O no hydrogen 2.954 N/A PHE 666.A N ALA 663.A O no hydrogen 2.970 N/A VAL 667.A N ALA 663.A O no hydrogen 3.098 N/A PHE 668.A N GLY 664.A O no hydrogen 3.204 N/A PHE 670.A N PHE 666.A O no hydrogen 2.842 N/A SER 671.A N VAL 667.A O no hydrogen 2.818 N/A SER 671.A OG PHE 668.A O no hydrogen 2.250 N/A LEU 672.A N ALA 669.A O no hydrogen 2.935 N/A MET 673.A N PHE 670.A O no hydrogen 2.946 N/A PHE 674.A N SER 671.A O no hydrogen 2.922 N/A LEU 675.A N SER 671.A O no hydrogen 3.273 N/A SER 677.A OG MET 673.A O no hydrogen 2.483 N/A ARG 679.A NE LEU 707.A O no hydrogen 2.917 N/A ARG 679.A NH2 GLN 683.A OE1 no hydrogen 3.373 N/A ARG 679.A NH2 ALA 706.A O no hydrogen 2.631 N/A TRP 682.A NE1 SER 677.A OG no hydrogen 3.279 N/A GLN 683.A N ARG 679.A O no hydrogen 2.858 N/A GLN 683.A NE2 GLN 683.A O no hydrogen 3.083 N/A GLU 684.A N GLY 680.A O no hydrogen 2.921 N/A LEU 685.A N TYR 681.A O no hydrogen 2.945 N/A ILE 686.A N TRP 682.A O no hydrogen 2.855 N/A GLU 687.A N GLN 683.A O no hydrogen 2.862 N/A SER 688.A N GLU 684.A O no hydrogen 3.023 N/A SER 688.A OG GLU 684.A O no hydrogen 3.306 N/A ILE 689.A N LEU 685.A O no hydrogen 2.951 N/A VAL 690.A N ILE 686.A O no hydrogen 2.788 N/A TRP 691.A N GLU 687.A O no hydrogen 2.943 N/A ALA 692.A N SER 688.A O no hydrogen 2.977 N/A HIS 693.A N ILE 689.A O no hydrogen 2.914 N/A HIS 693.A ND1 ILE 689.A O no hydrogen 3.181 N/A ASN 694.A N VAL 690.A O no hydrogen 2.833 N/A ASN 694.A ND2 VAL 690.A O no hydrogen 3.560 N/A LYS 695.A N TRP 691.A O no hydrogen 2.941 N/A LYS 695.A N ALA 692.A O no hydrogen 3.189 N/A ASN 697.A N ASN 694.A O no hydrogen 2.986 N/A VAL 698.A N HIS 693.A O no hydrogen 2.994 N/A GLN 703.A N LYS 32.A O no hydrogen 3.207 N/A ARG 705.A N THR 34.A OG1 no hydrogen 2.813 N/A ALA 706.A N GLN 683.A OE1 no hydrogen 3.171 N/A GLN 711.A N SER 708.A OG no hydrogen 2.896 N/A GLY 712.A N SER 708.A O no hydrogen 2.678 N/A ARG 713.A N ILE 709.A O no hydrogen 2.962 N/A ARG 713.A NH1 PRO 562.A O no hydrogen 3.354 N/A ALA 714.A N ILE 710.A O no hydrogen 2.910 N/A VAL 715.A N GLN 711.A O no hydrogen 2.870 N/A GLY 716.A N GLY 712.A O no hydrogen 2.942 N/A VAL 717.A N ARG 713.A O no hydrogen 2.942 N/A ALA 718.A N ALA 714.A O no hydrogen 2.900 N/A HIS 719.A N VAL 715.A O no hydrogen 2.958 N/A HIS 719.A ND1 VAL 715.A O no hydrogen 2.932 N/A TYR 720.A N GLY 716.A O no hydrogen 2.913 N/A LEU 721.A N VAL 717.A O no hydrogen 2.929 N/A LEU 722.A N ALA 718.A O no hydrogen 2.926 N/A GLY 723.A N HIS 719.A O no hydrogen 2.922 N/A GLY 724.A N TYR 720.A O no hydrogen 2.976 N/A ILE 725.A N LEU 721.A O no hydrogen 2.908 N/A VAL 726.A N LEU 722.A O no hydrogen 2.903 N/A THR 727.A N GLY 723.A O no hydrogen 2.942 N/A THR 727.A OG1 GLY 723.A O no hydrogen 2.824 N/A THR 728.A N GLY 724.A O no hydrogen 2.986 N/A THR 728.A OG1 GLY 724.A O no hydrogen 3.481 N/A TRP 729.A N ILE 725.A O no hydrogen 2.845 N/A ALA 730.A N VAL 726.A O no hydrogen 2.929 N/A PHE 731.A N THR 727.A O no hydrogen 2.972 N/A PHE 732.A N THR 728.A O no hydrogen 2.863 N/A LEU 733.A N TRP 729.A O no hydrogen 2.915 N/A ALA 734.A N ALA 730.A O no hydrogen 2.956 N/A ARG 735.A N PHE 731.A O no hydrogen 2.964 N/A ARG 735.A NE GLN 603.A OE1 no hydrogen 2.956 N/A ARG 735.A NH1 ASN 645.A OD1 no hydrogen 2.974 N/A ARG 735.A NH2 GLN 603.A OE1 no hydrogen 3.276 N/A SER 736.A N PHE 732.A O no hydrogen 2.877 N/A SER 736.A OG PHE 732.A O no hydrogen 2.562 N/A SER 736.A OG LEU 733.A O no hydrogen 3.102 N/A LEU 737.A N LEU 733.A O no hydrogen 2.915 N/A SER 738.A N ALA 734.A O no hydrogen 2.963 N/A SER 738.A N ARG 735.A O no hydrogen 3.220 N/A SER 738.A OG ALA 734.A O no hydrogen 2.491 N/A