Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8bcv_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 1.A N GLN 9.A OE1 no hydrogen 3.033 N/A ARG 6.A NH1 GLU 1.A OE1 no hydrogen 3.526 N/A SER 8.A N PRO 5.A O no hydrogen 3.383 N/A GLN 9.A N ASP 34.A OD2 no hydrogen 3.053 N/A LEU 11.A N SER 8.A OG no hydrogen 3.383 N/A ALA 12.A N SER 8.A O no hydrogen 3.012 N/A GLN 13.A N GLN 9.A O no hydrogen 3.141 N/A ASP 14.A N LEU 11.A O no hydrogen 3.054 N/A THR 16.A N ASP 14.A OD1 no hydrogen 2.765 N/A THR 16.A OG1 ASP 14.A OD1 no hydrogen 2.592 N/A THR 17.A N LYS 695.A O no hydrogen 3.040 N/A ARG 18.A N THR 16.A OG1 no hydrogen 3.233 N/A ARG 18.A NH1 ASP 14.A OD2 no hydrogen 3.248 N/A ARG 19.A N THR 16.A O no hydrogen 3.181 N/A ARG 19.A NH1 PHE 4.A O no hydrogen 2.689 N/A ARG 19.A NH2 ASP 694.A OD2 no hydrogen 2.839 N/A ILE 20.A N THR 17.A O no hydrogen 2.944 N/A PHE 22.A N ARG 18.A O no hydrogen 3.298 N/A GLY 23.A N ARG 19.A O no hydrogen 3.059 N/A ILE 24.A N ILE 20.A O no hydrogen 3.124 N/A ALA 25.A N TRP 21.A O no hydrogen 3.150 N/A THR 26.A N PHE 22.A O no hydrogen 3.059 N/A THR 26.A OG1 PHE 22.A O no hydrogen 3.260 N/A ASP 29.A N THR 26.A O no hydrogen 3.457 N/A SER 32.A N ASP 29.A O no hydrogen 3.194 N/A SER 32.A OG ASP 29.A OD2 no hydrogen 2.886 N/A HIS 33.A N PHE 30.A O no hydrogen 3.154 N/A HIS 33.A NE2 THR 26.A O no hydrogen 3.084 N/A ASP 34.A N PHE 7.A O no hydrogen 3.301 N/A GLN 43.A N GLU 39.A O no hydrogen 3.079 N/A GLN 43.A NE2 PRO 162.A O no hydrogen 3.361 N/A ASN 44.A N ARG 40.A O no hydrogen 2.918 N/A ILE 45.A N LEU 41.A O no hydrogen 2.983 N/A PHE 46.A N TYR 42.A O no hydrogen 2.962 N/A ALA 47.A N GLN 43.A O no hydrogen 3.095 N/A SER 48.A N ASN 44.A O no hydrogen 2.975 N/A SER 48.A OG ASN 44.A O no hydrogen 3.007 N/A HIS 49.A N ILE 45.A O no hydrogen 2.949 N/A PHE 50.A N PHE 46.A O no hydrogen 3.120 N/A GLY 51.A N ALA 47.A O no hydrogen 3.051 N/A GLN 52.A N SER 48.A O no hydrogen 3.001 N/A GLN 52.A NE2 GLN 52.A O no hydrogen 3.188 N/A LEU 53.A N HIS 49.A O no hydrogen 3.078 N/A ALA 54.A N PHE 50.A O no hydrogen 3.034 N/A ILE 55.A N GLY 51.A O no hydrogen 3.036 N/A ILE 56.A N GLN 52.A O no hydrogen 3.005 N/A PHE 57.A N LEU 53.A O no hydrogen 3.032 N/A LEU 58.A N ALA 54.A O no hydrogen 3.018 N/A TRP 59.A N ILE 55.A O no hydrogen 2.981 N/A THR 60.A N ILE 56.A O no hydrogen 3.096 N/A THR 60.A OG1 ILE 56.A O no hydrogen 3.230 N/A SER 61.A N PHE 57.A O no hydrogen 2.985 N/A SER 61.A OG ALA 138.A O no hydrogen 2.849 N/A GLY 62.A N LEU 58.A O no hydrogen 2.933 N/A ASN 63.A N TRP 59.A O no hydrogen 3.094 N/A LEU 64.A N THR 60.A O no hydrogen 3.053 N/A PHE 65.A N SER 61.A O no hydrogen 2.934 N/A HIS 66.A N GLY 62.A O no hydrogen 2.985 N/A VAL 67.A N ASN 63.A O no hydrogen 3.027 N/A ALA 68.A N LEU 64.A O no hydrogen 2.973 N/A TRP 69.A N PHE 65.A O no hydrogen 2.892 N/A GLN 70.A N HIS 66.A O no hydrogen 2.948 N/A GLY 71.A N VAL 67.A O no hydrogen 2.789 N/A ASN 72.A N TYR 120.A OH no hydrogen 3.270 N/A ASN 72.A ND2 ARG 84.A O no hydrogen 3.241 N/A ASN 72.A ND2 GLY 106.A O no hydrogen 3.001 N/A TRP 76.A N ASN 72.A O no hydrogen 2.788 N/A ILE 77.A N PHE 73.A O no hydrogen 2.956 N/A GLN 78.A N SER 75.A O no hydrogen 3.306 N/A ASP 79.A N TRP 76.A O no hydrogen 3.309 N/A HIS 82.A N ASP 79.A O no hydrogen 3.463 N/A HIS 82.A ND1 ASP 79.A OD1 no hydrogen 3.292 N/A VAL 83.A N ASP 79.A O no hydrogen 3.295 N/A ILE 86.A N TYR 120.A OH no hydrogen 3.412 N/A ALA 87.A N ASN 113.A O no hydrogen 2.881 N/A HIS 88.A ND1 ALA 89.A O no hydrogen 3.320 N/A ALA 89.A N GLN 70.A OE1 no hydrogen 3.535 N/A ILE 90.A N PRO 111.A O no hydrogen 3.145 N/A HIS 94.A N ASP 92.A OD1 no hydrogen 3.023 N/A HIS 94.A ND1 ASP 92.A OD1 no hydrogen 2.923 N/A PHE 95.A N ASP 92.A O no hydrogen 3.207 N/A GLN 97.A NE2 GLU 101.A OE2 no hydrogen 2.911 N/A VAL 100.A N GLY 96.A O no hydrogen 3.060 N/A GLU 101.A N GLN 97.A O no hydrogen 2.955 N/A ALA 102.A N PRO 98.A O no hydrogen 2.883 N/A PHE 103.A N ALA 99.A O no hydrogen 2.957 N/A THR 104.A OG1 VAL 100.A O no hydrogen 2.890 N/A ARG 105.A NE PHE 103.A O no hydrogen 3.585 N/A ARG 105.A NH2 VAL 112.A O no hydrogen 2.817 N/A ALA 108.A N ARG 105.A O no hydrogen 3.212 N/A VAL 112.A N PHE 103.A O no hydrogen 2.852 N/A ASN 113.A N HIS 88.A O no hydrogen 3.166 N/A ALA 115.A N PRO 85.A O no hydrogen 3.261 N/A TYR 120.A OH ASN 72.A OD1 no hydrogen 3.379 N/A TYR 120.A OH ILE 86.A O no hydrogen 2.987 N/A GLN 121.A N GLN 121.A OE1 no hydrogen 2.765 N/A GLN 121.A NE2 ASP 363.A OD2 no hydrogen 3.394 N/A TRP 122.A N GLY 118.A O no hydrogen 3.280 N/A TRP 123.A N VAL 119.A O no hydrogen 2.907 N/A TYR 124.A N TYR 120.A O no hydrogen 2.918 N/A THR 125.A N GLN 121.A O no hydrogen 2.946 N/A THR 125.A OG1 GLN 121.A O no hydrogen 2.660 N/A ILE 126.A N TRP 122.A O no hydrogen 3.285 N/A GLY 127.A N TYR 124.A O no hydrogen 3.452 N/A LEU 128.A N TRP 123.A O no hydrogen 3.242 N/A ARG 129.A NH1 TYR 124.A O no hydrogen 3.166 N/A ARG 129.A NH1 LEU 128.A O no hydrogen 3.092 N/A ARG 129.A NH2 ALA 200.A O no hydrogen 2.949 N/A TYR 135.A N ASN 131.A O no hydrogen 2.924 N/A THR 136.A N GLU 132.A O no hydrogen 2.967 N/A THR 136.A OG1 GLU 132.A O no hydrogen 3.328 N/A THR 136.A OG1 ASP 133.A O no hydrogen 2.630 N/A GLY 137.A N ASP 133.A O no hydrogen 2.960 N/A ALA 138.A N LEU 134.A O no hydrogen 2.943 N/A LEU 139.A N TYR 135.A O no hydrogen 2.980 N/A PHE 140.A N THR 136.A O no hydrogen 2.954 N/A LEU 141.A N GLY 137.A O no hydrogen 2.971 N/A LEU 142.A N ALA 138.A O no hydrogen 2.940 N/A PHE 143.A N LEU 139.A O no hydrogen 2.983 N/A LEU 144.A N PHE 140.A O no hydrogen 2.997 N/A SER 145.A N LEU 141.A O no hydrogen 2.950 N/A SER 145.A OG ALA 54.A O no hydrogen 2.675 N/A THR 146.A N LEU 142.A O no hydrogen 3.306 N/A THR 146.A OG1 LEU 142.A O no hydrogen 3.210 N/A LEU 147.A N PHE 143.A O no hydrogen 2.979 N/A SER 148.A N LEU 144.A O no hydrogen 3.010 N/A LEU 149.A N SER 145.A O no hydrogen 3.469 N/A VAL 150.A N THR 146.A O no hydrogen 2.992 N/A ALA 151.A N LEU 147.A O no hydrogen 2.941 N/A GLY 152.A N SER 148.A O no hydrogen 2.936 N/A TRP 153.A N LEU 149.A O no hydrogen 2.929 N/A LEU 154.A N VAL 150.A O no hydrogen 2.907 N/A HIS 155.A N ALA 151.A O no hydrogen 2.972 N/A LEU 156.A N TRP 153.A O no hydrogen 3.327 N/A GLN 157.A N LEU 154.A O no hydrogen 3.325 N/A GLN 157.A NE2 TRP 153.A O no hydrogen 3.182 N/A TRP 160.A N GLN 157.A O no hydrogen 2.928 N/A TRP 166.A N SER 163.A O no hydrogen 3.199 N/A LYS 168.A NZ GLU 38.A OE2 no hydrogen 3.142 N/A LYS 168.A NZ ASN 327.A OD1 no hydrogen 2.914 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.797 N/A ARG 173.A N ASN 169.A O no hydrogen 3.325 N/A ARG 173.A NH1 PHE 167.A O no hydrogen 3.073 N/A LEU 174.A N ALA 170.A O no hydrogen 2.929 N/A ASN 175.A N GLU 171.A O no hydrogen 2.965 N/A ASN 175.A ND2 TYR 290.A O no hydrogen 2.828 N/A HIS 176.A N SER 172.A O no hydrogen 2.978 N/A HIS 176.A ND1 SER 172.A O no hydrogen 2.921 N/A HIS 177.A N ARG 173.A O no hydrogen 2.913 N/A LEU 178.A N LEU 174.A O no hydrogen 2.915 N/A SER 179.A N ASN 175.A O no hydrogen 2.947 N/A GLY 180.A N HIS 176.A O no hydrogen 2.934 N/A PHE 182.A N HIS 177.A O no hydrogen 3.355 N/A GLY 183.A N LEU 178.A O no hydrogen 3.494 N/A VAL 184.A N SER 179.A O no hydrogen 3.291 N/A SER 185.A OG LEU 181.A O no hydrogen 2.723 N/A SER 186.A N PHE 182.A O no hydrogen 3.143 N/A SER 186.A OG HIS 276.A O no hydrogen 2.887 N/A LEU 187.A N GLY 183.A O no hydrogen 2.936 N/A ALA 188.A N VAL 184.A O no hydrogen 2.905 N/A TRP 189.A N SER 185.A O no hydrogen 2.954 N/A THR 190.A N SER 186.A O no hydrogen 2.919 N/A THR 190.A OG1 SER 186.A O no hydrogen 2.707 N/A GLY 191.A N LEU 187.A O no hydrogen 2.950 N/A HIS 192.A N ALA 188.A O no hydrogen 2.932 N/A LEU 193.A N TRP 189.A O no hydrogen 2.934 N/A VAL 194.A N THR 190.A O no hydrogen 2.948 N/A HIS 195.A N GLY 191.A O no hydrogen 2.902 N/A VAL 196.A N HIS 192.A O no hydrogen 2.763 N/A ILE 198.A N LEU 193.A O no hydrogen 3.098 N/A ALA 200.A N VAL 196.A O no hydrogen 3.045 N/A SER 201.A N ALA 197.A O no hydrogen 2.974 N/A SER 201.A OG ILE 198.A O no hydrogen 2.628 N/A ARG 202.A N PRO 199.A O no hydrogen 2.962 N/A ARG 202.A NE ASP 237.A OD1 no hydrogen 3.320 N/A ARG 202.A NH1 ALA 252.A O no hydrogen 3.544 N/A ARG 202.A NH2 ASP 237.A OD1 no hydrogen 3.532 N/A ARG 202.A NH2 ASP 237.A OD2 no hydrogen 3.436 N/A ARG 202.A NH2 ALA 252.A O no hydrogen 3.231 N/A GLU 204.A N PRO 199.A O no hydrogen 3.118 N/A ARG 207.A N ASN 210.A OD1 no hydrogen 3.060 N/A ARG 207.A NE ASP 133.A OD2 no hydrogen 3.402 N/A ARG 207.A NH1 VAL 206.A O no hydrogen 2.518 N/A ARG 207.A NH2 GLY 127.A O no hydrogen 3.327 N/A ARG 207.A NH2 ASP 133.A OD2 no hydrogen 3.301 N/A ASN 210.A ND2 TYR 205.A O no hydrogen 3.520 N/A GLY 220.A N TYR 217.A O no hydrogen 3.188 N/A LEU 225.A N LEU 221.A O no hydrogen 3.096 N/A THR 226.A N GLY 222.A O no hydrogen 2.917 N/A THR 226.A OG1 GLY 222.A O no hydrogen 2.788 N/A THR 226.A OG1 PRO 223.A O no hydrogen 3.487 N/A GLY 227.A N PRO 223.A O no hydrogen 2.965 N/A TRP 229.A NE1 LEU 224.A O no hydrogen 2.897 N/A LEU 231.A N GLN 228.A O no hydrogen 3.324 N/A TYR 232.A N TRP 229.A O no hydrogen 2.954 N/A TYR 232.A OH GLY 220.A O no hydrogen 2.763 N/A ALA 233.A N ASN 230.A O no hydrogen 3.346 N/A ASN 235.A ND2 THR 251.A OG1 no hydrogen 2.987 N/A SER 238.A N GLY 248.A O no hydrogen 2.979 N/A SER 238.A OG GLY 248.A O no hydrogen 2.888 N/A ASN 240.A ND2 ASN 240.A O no hydrogen 2.829 N/A HIS 241.A N SER 238.A O no hydrogen 3.324 N/A HIS 241.A NE2 THR 245.A O no hydrogen 3.046 N/A LEU 242.A N GLN 247.A O no hydrogen 3.452 N/A PHE 243.A N GLN 263.A OE1 no hydrogen 3.095 N/A THR 245.A N LEU 242.A O no hydrogen 2.951 N/A THR 245.A OG1 LEU 242.A O no hydrogen 3.038 N/A ALA 249.A N ALA 246.A O no hydrogen 3.263 N/A GLY 250.A N ASP 237.A OD1 no hydrogen 2.806 N/A THR 251.A N ASN 235.A O no hydrogen 2.874 N/A ALA 252.A N ASN 235.A O no hydrogen 2.991 N/A ILE 253.A N TYR 232.A O no hydrogen 3.021 N/A LEU 254.A N TYR 232.A O no hydrogen 3.033 N/A THR 255.A OG1 THR 270.A OG1 no hydrogen 2.290 N/A THR 255.A OG1 ASP 271.A OD1 no hydrogen 3.205 N/A LEU 257.A N ASP 271.A OD1 no hydrogen 3.084 N/A GLY 258.A N ASP 271.A OD2 no hydrogen 3.077 N/A HIS 261.A N SER 266.A O no hydrogen 2.721 N/A GLN 263.A N HIS 261.A ND1 no hydrogen 3.207 N/A THR 264.A N HIS 261.A ND1 no hydrogen 3.263 N/A THR 264.A OG1 SER 266.A OG no hydrogen 2.675 N/A GLN 265.A N HIS 261.A O no hydrogen 2.802 N/A SER 266.A OG THR 264.A OG1 no hydrogen 2.675 N/A LEU 267.A N PRO 355.A O no hydrogen 3.130 N/A THR 270.A OG1 THR 255.A OG1 no hydrogen 2.290 N/A ILE 272.A N TRP 268.A O no hydrogen 3.428 N/A ALA 273.A N LEU 269.A O no hydrogen 2.964 N/A HIS 274.A N THR 270.A O no hydrogen 2.961 N/A HIS 275.A N ASP 271.A O no hydrogen 2.898 N/A HIS 276.A N ILE 272.A O no hydrogen 2.968 N/A HIS 276.A ND1 ILE 272.A O no hydrogen 3.002 N/A LEU 277.A N ALA 273.A O no hydrogen 2.986 N/A ALA 278.A N HIS 274.A O no hydrogen 2.985 N/A ILE 279.A N HIS 275.A O no hydrogen 2.954 N/A ALA 280.A N HIS 276.A O no hydrogen 2.912 N/A PHE 281.A N LEU 277.A O no hydrogen 3.029 N/A ILE 282.A N ALA 278.A O no hydrogen 3.017 N/A PHE 283.A N ILE 279.A O no hydrogen 2.984 N/A LEU 284.A N ALA 280.A O no hydrogen 2.924 N/A ILE 285.A N PHE 281.A O no hydrogen 2.980 N/A ALA 286.A N ILE 282.A O no hydrogen 2.916 N/A GLY 287.A N PHE 283.A O no hydrogen 2.983 N/A HIS 288.A N ILE 285.A O no hydrogen 3.333 N/A HIS 288.A ND1 LEU 284.A O no hydrogen 3.233 N/A TYR 290.A N ASN 175.A OD1 no hydrogen 3.350 N/A ARG 291.A N HIS 298.A O no hydrogen 3.334 N/A HIS 298.A N MET 289.A O no hydrogen 2.876 N/A SER 299.A OG ASP 302.A OD2 no hydrogen 3.019 N/A LEU 303.A N SER 299.A O no hydrogen 2.958 N/A LEU 304.A N ILE 300.A O no hydrogen 2.952 N/A GLU 305.A N LYS 301.A O no hydrogen 2.929 N/A ALA 306.A N LEU 303.A O no hydrogen 3.382 N/A HIS 307.A ND1 LEU 303.A O no hydrogen 3.259 N/A GLY 312.A N PRO 309.A O no hydrogen 3.331 N/A GLY 315.A N GLY 312.A O no hydrogen 3.332 N/A ARG 316.A N ASP 404.A O no hydrogen 2.935 N/A GLY 317.A N LEU 314.A O no hydrogen 2.921 N/A HIS 318.A ND1 HIS 307.A O no hydrogen 3.296 N/A GLY 320.A N GLU 305.A OE2 no hydrogen 3.334 N/A THR 324.A N GLY 320.A O no hydrogen 3.446 N/A THR 324.A OG1 GLY 320.A O no hydrogen 2.927 N/A THR 324.A OG1 ASN 402.A OD1 no hydrogen 2.808 N/A ILE 325.A N LEU 321.A O no hydrogen 2.915 N/A ASN 326.A N TYR 322.A O no hydrogen 2.892 N/A ASN 326.A ND2 LYS 168.A O no hydrogen 3.608 N/A ASN 327.A N ASP 323.A O no hydrogen 2.945 N/A SER 328.A N ILE 325.A O no hydrogen 3.267 N/A SER 328.A OG ASP 396.A OD2 no hydrogen 2.800 N/A HIS 330.A NE2 GLU 31.A OE1 no hydrogen 2.851 N/A PHE 331.A N SER 328.A OG no hydrogen 3.407 N/A GLN 332.A NE2 ILE 325.A O no hydrogen 3.273 N/A LEU 333.A N ILE 329.A O no hydrogen 2.905 N/A GLY 334.A N HIS 330.A O no hydrogen 2.901 N/A LEU 335.A N PHE 331.A O no hydrogen 3.040 N/A ALA 336.A N GLN 332.A O no hydrogen 2.977 N/A LEU 337.A N LEU 333.A O no hydrogen 2.881 N/A ALA 338.A N GLY 334.A O no hydrogen 2.979 N/A SER 339.A N LEU 335.A O no hydrogen 3.077 N/A SER 339.A OG LEU 335.A O no hydrogen 3.114 N/A LEU 340.A N ALA 336.A O no hydrogen 2.938 N/A GLY 341.A N LEU 337.A O no hydrogen 2.907 N/A VAL 342.A N ALA 338.A O no hydrogen 3.079 N/A ILE 343.A N SER 339.A O no hydrogen 3.053 N/A THR 344.A N LEU 340.A O no hydrogen 2.872 N/A THR 344.A OG1 LEU 340.A O no hydrogen 2.723 N/A SER 345.A N GLY 341.A O no hydrogen 3.083 N/A SER 345.A OG GLN 375.A OE1 no hydrogen 3.010 N/A LEU 346.A N VAL 342.A O no hydrogen 2.991 N/A VAL 347.A N ILE 343.A O no hydrogen 2.852 N/A ALA 348.A N THR 344.A O no hydrogen 3.024 N/A GLN 349.A N SER 345.A O no hydrogen 2.945 N/A HIS 350.A N LEU 346.A O no hydrogen 2.929 N/A MET 351.A N VAL 347.A O no hydrogen 2.952 N/A SER 353.A OG GLN 349.A O no hydrogen 3.281 N/A LEU 354.A N HIS 350.A O no hydrogen 3.268 N/A ALA 358.A N THR 125.A OG1 no hydrogen 3.110 N/A ILE 360.A N TYR 357.A O no hydrogen 3.346 N/A ASP 363.A N ILE 360.A O no hydrogen 3.089 N/A THR 365.A OG1 GLY 733.A OXT no hydrogen 2.948 N/A GLN 367.A N ASP 363.A O no hydrogen 3.286 N/A ALA 368.A N PHE 364.A O no hydrogen 3.018 N/A ALA 369.A N THR 365.A O no hydrogen 2.941 N/A LEU 370.A N THR 366.A O no hydrogen 2.952 N/A TYR 371.A N GLN 367.A O no hydrogen 3.055 N/A THR 372.A N ALA 368.A O no hydrogen 3.051 N/A THR 372.A OG1 ALA 368.A O no hydrogen 2.968 N/A HIS 373.A N ALA 369.A O no hydrogen 2.906 N/A HIS 374.A N LEU 370.A O no hydrogen 3.060 N/A GLN 375.A N TYR 371.A O no hydrogen 3.055 N/A GLN 375.A NE2 TYR 371.A OH no hydrogen 3.288 N/A TYR 376.A N THR 372.A O no hydrogen 3.054 N/A ILE 377.A N HIS 373.A O no hydrogen 3.081 N/A ALA 378.A N HIS 374.A O no hydrogen 2.969 N/A GLY 379.A N GLN 375.A O no hydrogen 3.016 N/A PHE 380.A N TYR 376.A O no hydrogen 3.105 N/A ILE 381.A N ILE 377.A O no hydrogen 3.036 N/A MET 382.A N ALA 378.A O no hydrogen 2.942 N/A THR 383.A N GLY 379.A O no hydrogen 3.092 N/A THR 383.A OG1 PHE 380.A O no hydrogen 2.662 N/A GLY 384.A N PHE 380.A O no hydrogen 3.058 N/A ALA 385.A N ILE 381.A O no hydrogen 3.030 N/A ALA 387.A N THR 383.A O no hydrogen 3.085 N/A HIS 388.A N GLY 384.A O no hydrogen 3.021 N/A GLY 389.A N ALA 385.A O no hydrogen 2.964 N/A ALA 390.A N PHE 386.A O no hydrogen 2.900 N/A ILE 391.A N ALA 387.A O no hydrogen 3.007 N/A PHE 392.A N HIS 388.A O no hydrogen 3.027 N/A ARG 395.A N ILE 391.A O no hydrogen 2.999 N/A ARG 395.A NH1 ASP 29.A OD1 no hydrogen 3.515 N/A ARG 395.A NH1 GLU 31.A OE1 no hydrogen 2.916 N/A ARG 395.A NH2 ASP 29.A OD2 no hydrogen 3.371 N/A ASP 396.A N PHE 392.A O no hydrogen 3.032 N/A TYR 397.A N PHE 392.A O no hydrogen 3.196 N/A ASN 402.A N PRO 399.A O no hydrogen 2.959 N/A ASN 402.A ND2 ASN 398.A O no hydrogen 2.452 N/A ASN 405.A N ASN 402.A O no hydrogen 3.307 N/A ASN 405.A ND2 LYS 319.A O no hydrogen 3.408 N/A ASN 405.A ND2 ASN 402.A OD1 no hydrogen 3.434 N/A VAL 406.A N GLY 317.A O no hydrogen 3.236 N/A ALA 408.A N ASN 405.A OD1 no hydrogen 3.184 N/A ARG 409.A N ASN 405.A O no hydrogen 3.137 N/A ARG 409.A NE ASP 404.A OD1 no hydrogen 3.128 N/A MET 410.A N VAL 406.A O no hydrogen 2.985 N/A ASP 412.A N ALA 408.A O no hydrogen 2.940 N/A HIS 413.A N ARG 409.A O no hydrogen 3.038 N/A HIS 413.A ND1 ARG 409.A O no hydrogen 2.701 N/A LYS 414.A NZ ASP 539.A OD1 no hydrogen 3.125 N/A ILE 417.A N HIS 413.A O no hydrogen 3.124 N/A ILE 418.A N LYS 414.A O no hydrogen 2.923 N/A SER 419.A N GLU 415.A O no hydrogen 2.956 N/A SER 419.A OG GLU 415.A O no hydrogen 2.990 N/A SER 419.A OG ALA 416.A O no hydrogen 2.960 N/A HIS 420.A N ALA 416.A O no hydrogen 3.044 N/A HIS 420.A ND1 ALA 416.A O no hydrogen 3.246 N/A LEU 421.A N ILE 417.A O no hydrogen 3.077 N/A SER 422.A N ILE 418.A O no hydrogen 2.956 N/A TRP 423.A N SER 419.A O no hydrogen 2.947 N/A ALA 424.A N HIS 420.A O no hydrogen 3.042 N/A SER 425.A N LEU 421.A O no hydrogen 3.056 N/A SER 425.A OG LEU 421.A O no hydrogen 3.387 N/A SER 425.A OG THR 528.A OG1 no hydrogen 3.383 N/A LEU 426.A N SER 422.A O no hydrogen 2.973 N/A PHE 427.A N TRP 423.A O no hydrogen 2.985 N/A LEU 428.A N ALA 424.A O no hydrogen 3.075 N/A GLY 429.A N SER 425.A O no hydrogen 2.979 N/A PHE 430.A N LEU 426.A O no hydrogen 2.965 N/A HIS 431.A N PHE 427.A O no hydrogen 3.120 N/A HIS 431.A ND1 PHE 427.A O no hydrogen 3.330 N/A THR 432.A N LEU 428.A O no hydrogen 2.998 N/A THR 432.A OG1 LEU 428.A O no hydrogen 2.905 N/A LEU 433.A N GLY 429.A O no hydrogen 3.030 N/A GLY 434.A N PHE 430.A O no hydrogen 2.978 N/A LEU 435.A N HIS 431.A O no hydrogen 3.001 N/A TYR 436.A N THR 432.A O no hydrogen 3.102 N/A VAL 437.A N LEU 433.A O no hydrogen 2.978 N/A HIS 438.A N GLY 434.A O no hydrogen 2.930 N/A ASN 439.A N LEU 435.A O no hydrogen 3.021 N/A ASN 439.A ND2 ILE 452.A O no hydrogen 3.383 N/A ASN 439.A ND2 THR 613.A O no hydrogen 3.193 N/A ASP 440.A N TYR 436.A O no hydrogen 2.952 N/A VAL 441.A N VAL 437.A O no hydrogen 2.960 N/A MET 442.A N HIS 438.A O no hydrogen 2.984 N/A LEU 443.A N ASN 439.A O no hydrogen 2.963 N/A ALA 444.A N ASP 440.A O no hydrogen 2.938 N/A PHE 445.A N VAL 441.A O no hydrogen 3.089 N/A GLY 446.A N LEU 443.A O no hydrogen 3.127 N/A THR 447.A N MET 442.A O no hydrogen 3.129 N/A THR 447.A OG1 MET 442.A O no hydrogen 3.522 N/A GLU 449.A N GLU 449.A OE1 no hydrogen 2.760 N/A LYS 450.A N THR 447.A O no hydrogen 3.159 N/A GLN 451.A N PRO 448.A O no hydrogen 3.453 N/A GLN 451.A NE2 PRO 448.A O no hydrogen 3.312 N/A ILE 452.A N ASN 439.A OD1 no hydrogen 3.106 N/A GLN 460.A N PRO 456.A O no hydrogen 3.133 N/A GLN 460.A NE2 GLU 455.A OE2 no hydrogen 3.075 N/A GLN 460.A NE2 ILE 511.A O no hydrogen 3.344 N/A TRP 461.A N ILE 457.A O no hydrogen 2.878 N/A ILE 462.A N PHE 458.A O no hydrogen 2.976 N/A GLN 463.A N ALA 459.A O no hydrogen 2.918 N/A GLN 463.A NE2 LEU 509.A O no hydrogen 3.035 N/A SER 464.A N GLN 460.A O no hydrogen 2.898 N/A SER 464.A OG GLN 460.A O no hydrogen 2.979 N/A ALA 465.A N TRP 461.A O no hydrogen 2.917 N/A HIS 466.A N ILE 462.A O no hydrogen 2.966 N/A HIS 466.A N GLN 463.A O no hydrogen 3.072 N/A GLY 467.A N SER 464.A O no hydrogen 3.080 N/A LYS 468.A N GLN 463.A O no hydrogen 3.118 N/A LYS 468.A NZ THR 470.A OG1 no hydrogen 3.259 N/A LYS 468.A NZ PHE 508.A O no hydrogen 3.456 N/A LYS 468.A NZ THR 510.A OG1 no hydrogen 3.257 N/A TYR 471.A OH GLN 463.A OE1 no hydrogen 2.985 N/A SER 478.A N ILE 475.A O no hydrogen 3.020 N/A SER 478.A OG LYS 468.A O no hydrogen 2.956 N/A SER 478.A OG PHE 473.A O no hydrogen 3.522 N/A SER 479.A N LEU 476.A O no hydrogen 3.049 N/A SER 479.A OG LEU 476.A O no hydrogen 2.560 N/A ASN 486.A N GLY 482.A O no hydrogen 2.928 N/A ALA 487.A N PRO 483.A O no hydrogen 2.922 N/A ARG 489.A N ASN 486.A O no hydrogen 3.249 N/A LEU 491.A N GLY 488.A O no hydrogen 3.271 N/A LEU 493.A N GLY 488.A O no hydrogen 3.361 N/A TRP 496.A N TRP 492.A O no hydrogen 3.242 N/A TRP 496.A NE1 HIS 466.A O no hydrogen 3.281 N/A LEU 497.A N LEU 493.A O no hydrogen 2.850 N/A ASN 498.A N PRO 494.A O no hydrogen 2.930 N/A ALA 499.A N GLY 495.A O no hydrogen 2.933 N/A VAL 500.A N TRP 496.A O no hydrogen 2.934 N/A ASN 501.A N LEU 497.A O no hydrogen 3.207 N/A GLU 502.A N ALA 499.A O no hydrogen 3.386 N/A ASN 505.A ND2 ALA 499.A O no hydrogen 3.176 N/A SER 506.A OG HIS 597.A NE2 no hydrogen 3.125 N/A LEU 507.A N ASN 505.A OD1 no hydrogen 3.296 N/A ILE 511.A N TYR 471.A OH no hydrogen 3.394 N/A GLY 512.A N ASP 515.A OD1 no hydrogen 2.756 N/A PHE 516.A N GLY 512.A O no hydrogen 3.178 N/A LEU 517.A N PRO 513.A O no hydrogen 3.021 N/A VAL 518.A N GLY 514.A O no hydrogen 3.001 N/A HIS 519.A N ASP 515.A O no hydrogen 2.940 N/A HIS 519.A ND1 ASP 515.A O no hydrogen 3.068 N/A HIS 520.A N PHE 516.A O no hydrogen 3.090 N/A HIS 520.A ND1 PHE 516.A O no hydrogen 3.104 N/A ALA 521.A N LEU 517.A O no hydrogen 3.041 N/A ILE 522.A N VAL 518.A O no hydrogen 2.966 N/A ALA 523.A N HIS 519.A O no hydrogen 2.987 N/A LEU 524.A N HIS 520.A O no hydrogen 3.007 N/A GLY 525.A N ALA 521.A O no hydrogen 3.052 N/A LEU 526.A N ILE 522.A O no hydrogen 3.024 N/A HIS 527.A N ALA 523.A O no hydrogen 3.001 N/A HIS 527.A ND1 ALA 523.A O no hydrogen 3.178 N/A THR 528.A N LEU 524.A O no hydrogen 3.007 N/A THR 528.A OG1 SER 425.A OG no hydrogen 3.383 N/A THR 528.A OG1 LEU 524.A O no hydrogen 3.084 N/A THR 529.A N GLY 525.A O no hydrogen 3.040 N/A THR 529.A OG1 GLY 525.A O no hydrogen 2.931 N/A THR 530.A N LEU 526.A O no hydrogen 3.029 N/A THR 530.A OG1 LEU 526.A O no hydrogen 2.927 N/A LEU 531.A N HIS 527.A O no hydrogen 2.939 N/A ILE 532.A N THR 528.A O no hydrogen 3.050 N/A LEU 533.A N THR 529.A O no hydrogen 3.067 N/A VAL 534.A N THR 530.A O no hydrogen 2.889 N/A LYS 535.A N LEU 531.A O no hydrogen 2.947 N/A GLY 536.A N ILE 532.A O no hydrogen 3.016 N/A ALA 537.A N LEU 533.A O no hydrogen 2.964 N/A LEU 538.A N VAL 534.A O no hydrogen 2.921 N/A ASP 539.A N LYS 535.A O no hydrogen 3.218 N/A ALA 540.A N ALA 537.A O no hydrogen 3.332 N/A ARG 541.A NH1 PHE 393.A O no hydrogen 2.870 N/A GLY 542.A N ASP 539.A O no hydrogen 3.267 N/A SER 543.A N MET 546.A O no hydrogen 3.193 N/A LYS 549.A NZ ASP 539.A O no hydrogen 2.984 N/A LYS 549.A NZ ILE 569.A O no hydrogen 3.092 N/A ASP 551.A N ASP 548.A O no hydrogen 3.293 N/A PHE 552.A N LYS 549.A O no hydrogen 2.941 N/A ASP 559.A N THR 566.A OG1 no hydrogen 2.944 N/A ARG 563.A NE LEU 545.A O no hydrogen 3.298 N/A ARG 563.A NH2 LEU 545.A O no hydrogen 3.161 N/A ARG 563.A NH2 ASP 559.A OD2 no hydrogen 2.950 N/A GLY 565.A N GLY 562.A O no hydrogen 3.047 N/A THR 566.A OG1 GLY 560.A O no hydrogen 2.807 N/A SER 570.A N ASP 573.A OD2 no hydrogen 3.219 N/A SER 570.A OG PHE 556.A O no hydrogen 3.518 N/A SER 570.A OG ASP 573.A OD2 no hydrogen 2.776 N/A TRP 572.A N TYR 554.A O no hydrogen 3.507 N/A ALA 574.A N SER 570.A O no hydrogen 3.399 N/A PHE 575.A N ALA 571.A O no hydrogen 3.045 N/A TYR 576.A N TRP 572.A O no hydrogen 2.963 N/A LEU 577.A N ASP 573.A O no hydrogen 2.915 N/A ALA 578.A N ALA 574.A O no hydrogen 2.942 N/A VAL 579.A N PHE 575.A O no hydrogen 3.092 N/A MET 582.A N ALA 578.A O no hydrogen 2.972 N/A LEU 583.A N VAL 579.A O no hydrogen 3.007 N/A ASN 584.A N PHE 580.A O no hydrogen 2.984 N/A THR 585.A N TRP 581.A O no hydrogen 2.956 N/A THR 585.A OG1 TRP 581.A O no hydrogen 2.933 N/A ILE 586.A N MET 582.A O no hydrogen 2.994 N/A GLY 587.A N LEU 583.A O no hydrogen 2.929 N/A TRP 588.A N ASN 584.A O no hydrogen 3.028 N/A VAL 589.A N THR 585.A O no hydrogen 3.026 N/A THR 590.A N ILE 586.A O no hydrogen 2.967 N/A THR 590.A OG1 ILE 586.A O no hydrogen 2.910 N/A THR 590.A OG1 GLY 587.A O no hydrogen 3.196 N/A PHE 591.A N GLY 587.A O no hydrogen 2.914 N/A TYR 592.A N TRP 588.A O no hydrogen 3.040 N/A TYR 592.A OH ASP 515.A OD2 no hydrogen 2.466 N/A TRP 593.A N VAL 589.A O no hydrogen 3.035 N/A HIS 594.A N THR 590.A O no hydrogen 2.954 N/A HIS 594.A ND1 TYR 622.A OH no hydrogen 2.707 N/A HIS 594.A NE2 THR 728.A OG1 no hydrogen 3.295 N/A TRP 595.A N PHE 591.A O no hydrogen 2.999 N/A LYS 596.A N TYR 592.A O no hydrogen 3.072 N/A LYS 596.A NZ THR 510.A O no hydrogen 3.157 N/A LYS 596.A NZ ASP 515.A OD2 no hydrogen 3.324 N/A HIS 597.A N TRP 593.A O no hydrogen 3.022 N/A HIS 597.A NE2 SER 506.A OG no hydrogen 3.125 N/A ILE 598.A N HIS 594.A O no hydrogen 2.864 N/A THR 599.A N TRP 595.A O no hydrogen 3.049 N/A THR 599.A OG1 TRP 595.A O no hydrogen 2.955 N/A THR 599.A OG1 LYS 596.A O no hydrogen 2.972 N/A LEU 600.A N LYS 596.A O no hydrogen 2.998 N/A TRP 601.A N HIS 597.A O no hydrogen 2.892 N/A GLY 603.A N LEU 600.A O no hydrogen 3.186 N/A ASN 604.A N THR 599.A O no hydrogen 3.087 N/A SER 606.A OG ASN 604.A OD1 no hydrogen 3.473 N/A GLN 607.A N ASN 604.A O no hydrogen 3.144 N/A ASN 609.A N VAL 605.A O no hydrogen 2.962 N/A GLU 610.A N SER 606.A O no hydrogen 2.911 N/A SER 611.A N GLN 607.A O no hydrogen 2.956 N/A SER 611.A OG GLN 607.A O no hydrogen 3.334 N/A SER 611.A OG ASP 621.A OD2 no hydrogen 2.594 N/A SER 612.A N PHE 608.A O no hydrogen 3.130 N/A SER 612.A OG PHE 608.A O no hydrogen 2.894 N/A THR 613.A OG1 GLN 451.A OE1 no hydrogen 3.128 N/A LEU 615.A N ASP 440.A OD2 no hydrogen 3.000 N/A MET 616.A N ASP 440.A OD1 no hydrogen 3.394 N/A GLY 617.A N TYR 614.A O no hydrogen 3.085 N/A TRP 618.A NE1 SER 612.A O no hydrogen 3.168 N/A LEU 619.A N LEU 615.A O no hydrogen 3.006 N/A ARG 620.A N MET 616.A O no hydrogen 2.900 N/A ARG 620.A NE ASP 621.A OD1 no hydrogen 3.213 N/A ARG 620.A NH2 TYR 614.A OH no hydrogen 3.288 N/A ARG 620.A NH2 ASP 621.A OD2 no hydrogen 3.296 N/A ASP 621.A N GLY 617.A O no hydrogen 2.902 N/A TYR 622.A N TRP 618.A O no hydrogen 3.364 N/A TYR 622.A OH HIS 594.A ND1 no hydrogen 2.707 N/A LEU 623.A N TRP 618.A O no hydrogen 3.440 N/A TRP 624.A N LEU 619.A O no hydrogen 3.162 N/A LEU 625.A N ARG 620.A O no hydrogen 3.224 N/A ASN 626.A ND2 TYR 622.A O no hydrogen 2.787 N/A SER 627.A OG LEU 623.A O no hydrogen 2.967 N/A GLN 629.A NE2 GLY 730.A O no hydrogen 3.452 N/A ILE 631.A N SER 627.A O no hydrogen 3.081 N/A ASN 632.A N GLN 629.A O no hydrogen 2.979 N/A ASN 632.A ND2 SER 628.A O no hydrogen 2.965 N/A GLY 633.A N LEU 630.A O no hydrogen 3.333 N/A ASN 635.A N GLY 638.A O no hydrogen 2.908 N/A ASN 635.A ND2 ASN 632.A OD1 no hydrogen 3.313 N/A PHE 637.A N ASN 635.A OD1 no hydrogen 3.050 N/A GLY 638.A N ASN 635.A O no hydrogen 3.196 N/A GLY 638.A N ASN 635.A OD1 no hydrogen 3.078 N/A ASN 640.A N GLY 633.A O no hydrogen 2.975 N/A ASN 640.A ND2 ASN 632.A O no hydrogen 3.566 N/A LEU 642.A N ASN 640.A OD1 no hydrogen 3.080 N/A SER 643.A N ASN 640.A O no hydrogen 3.171 N/A SER 643.A OG ASN 640.A O no hydrogen 3.139 N/A ALA 646.A N LEU 642.A O no hydrogen 2.880 N/A TRP 647.A N SER 643.A O no hydrogen 2.792 N/A MET 648.A N VAL 644.A O no hydrogen 2.769 N/A PHE 649.A N TRP 645.A O no hydrogen 2.788 N/A LEU 650.A N ALA 646.A O no hydrogen 3.276 N/A PHE 651.A N TRP 647.A O no hydrogen 2.969 N/A GLY 652.A N MET 648.A O no hydrogen 2.907 N/A HIS 653.A N PHE 649.A O no hydrogen 3.256 N/A LEU 654.A N LEU 650.A O no hydrogen 3.061 N/A LEU 654.A N PHE 651.A O no hydrogen 3.034 N/A VAL 655.A N PHE 651.A O no hydrogen 3.133 N/A TRP 656.A N GLY 652.A O no hydrogen 3.132 N/A ALA 657.A N HIS 653.A O no hydrogen 3.326 N/A THR 658.A N LEU 654.A O no hydrogen 2.934 N/A THR 658.A OG1 LEU 654.A O no hydrogen 3.234 N/A GLY 659.A N VAL 655.A O no hydrogen 3.092 N/A GLY 659.A N TRP 656.A O no hydrogen 2.989 N/A PHE 660.A N ALA 657.A O no hydrogen 2.948 N/A MET 661.A N THR 658.A O no hydrogen 2.964 N/A LEU 663.A N GLY 659.A O no hydrogen 3.205 N/A LEU 663.A N PHE 660.A O no hydrogen 2.956 N/A ILE 664.A N PHE 660.A O no hydrogen 2.987 N/A SER 665.A N MET 661.A O no hydrogen 3.422 N/A SER 665.A OG MET 661.A O no hydrogen 2.866 N/A TRP 666.A NE1 LEU 663.A O no hydrogen 3.204 N/A ARG 667.A NE LEU 699.A O no hydrogen 2.937 N/A ARG 667.A NH2 ALA 698.A O no hydrogen 3.196 N/A TRP 670.A NE1 SER 665.A OG no hydrogen 3.335 N/A GLN 671.A N ARG 667.A O no hydrogen 3.063 N/A ILE 674.A N TRP 670.A O no hydrogen 2.984 N/A GLU 675.A N GLN 671.A O no hydrogen 3.100 N/A LEU 677.A N LEU 673.A O no hydrogen 3.451 N/A ALA 678.A N ILE 674.A O no hydrogen 3.034 N/A TRP 679.A N GLU 675.A O no hydrogen 3.022 N/A ALA 680.A N THR 676.A O no hydrogen 2.914 N/A HIS 681.A N LEU 677.A O no hydrogen 2.952 N/A HIS 681.A NE2 ILE 690.A O no hydrogen 3.278 N/A GLU 682.A N ALA 678.A O no hydrogen 3.066 N/A ARG 683.A N ALA 680.A O no hydrogen 3.243 N/A THR 684.A N HIS 681.A O no hydrogen 3.388 N/A THR 684.A OG1 ALA 680.A O no hydrogen 2.814 N/A ASN 688.A N THR 684.A O no hydrogen 3.036 N/A ILE 690.A N ALA 687.A O no hydrogen 3.243 N/A LYS 695.A N PRO 15.A O no hydrogen 3.250 N/A ALA 698.A N GLN 671.A OE1 no hydrogen 3.168 N/A SER 700.A N GLN 703.A OE1 no hydrogen 3.337 N/A GLN 703.A N SER 700.A OG no hydrogen 3.097 N/A ALA 704.A N SER 700.A O no hydrogen 2.879 N/A ARG 705.A N ILE 701.A O no hydrogen 3.061 N/A ARG 705.A NH1 PRO 557.A O no hydrogen 3.464 N/A LEU 706.A N VAL 702.A O no hydrogen 2.974 N/A VAL 707.A N GLN 703.A O no hydrogen 2.898 N/A GLY 708.A N ALA 704.A O no hydrogen 2.947 N/A LEU 709.A N ARG 705.A O no hydrogen 3.012 N/A ALA 710.A N LEU 706.A O no hydrogen 2.935 N/A HIS 711.A N VAL 707.A O no hydrogen 3.009 N/A HIS 711.A ND1 VAL 707.A O no hydrogen 3.057 N/A PHE 712.A N GLY 708.A O no hydrogen 3.009 N/A SER 713.A N LEU 709.A O no hydrogen 2.946 N/A SER 713.A OG LEU 709.A O no hydrogen 3.060 N/A VAL 714.A N ALA 710.A O no hydrogen 3.009 N/A GLY 715.A N HIS 711.A O no hydrogen 3.050 N/A TYR 716.A N PHE 712.A O no hydrogen 2.982 N/A ILE 717.A N SER 713.A O no hydrogen 3.023 N/A PHE 718.A N VAL 714.A O no hydrogen 3.009 N/A THR 719.A N GLY 715.A O no hydrogen 2.990 N/A THR 719.A OG1 GLY 715.A O no hydrogen 2.918 N/A TYR 720.A N TYR 716.A O no hydrogen 3.128 N/A TYR 720.A OH TYR 622.A OH no hydrogen 3.367 N/A ALA 721.A N ILE 717.A O no hydrogen 2.957 N/A ALA 722.A N PHE 718.A O no hydrogen 3.030 N/A PHE 723.A N THR 719.A O no hydrogen 3.075 N/A LEU 724.A N TYR 720.A O no hydrogen 2.908 N/A ILE 725.A N ALA 721.A O no hydrogen 3.022 N/A ALA 726.A N ALA 722.A O no hydrogen 2.976 N/A SER 727.A N PHE 723.A O no hydrogen 2.906 N/A SER 727.A OG PHE 723.A O no hydrogen 2.908 N/A SER 727.A OG LEU 724.A O no hydrogen 3.063 N/A THR 728.A N LEU 724.A O no hydrogen 3.056 N/A THR 728.A OG1 HIS 594.A NE2 no hydrogen 3.295 N/A THR 728.A OG1 LEU 724.A O no hydrogen 2.976 N/A SER 729.A N ILE 725.A O no hydrogen 2.929 N/A SER 729.A OG ILE 725.A O no hydrogen 2.709 N/A GLY 730.A N ALA 726.A O no hydrogen 2.937 N/A LYS 731.A N THR 728.A O no hydrogen 3.283 N/A PHE 732.A N THR 728.A O no hydrogen 2.964 N/A GLY 733.A N SER 729.A O no hydrogen 2.822 N/A