Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7d0j_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 10.A N ASP 35.A OD2 no hydrogen 2.550 N/A LEU 12.A N SER 9.A OG no hydrogen 3.397 N/A ALA 13.A N SER 9.A O no hydrogen 3.240 N/A THR 17.A OG1 ASP 15.A OD2 no hydrogen 2.855 N/A ARG 19.A N THR 17.A OG1 no hydrogen 3.233 N/A ARG 20.A NE PHE 5.A O no hydrogen 3.345 N/A ARG 20.A NH1 PHE 5.A O no hydrogen 2.705 N/A TYR 23.A N ARG 19.A O no hydrogen 2.926 N/A TYR 23.A OH SER 701.A OG no hydrogen 2.782 N/A GLY 24.A N ARG 20.A O no hydrogen 2.811 N/A LEU 25.A N ILE 21.A O no hydrogen 2.998 N/A ALA 26.A N TYR 23.A O no hydrogen 2.894 N/A MET 27.A N TYR 23.A O no hydrogen 2.871 N/A SER 33.A N ASP 30.A O no hydrogen 3.073 N/A SER 33.A OG ASP 30.A O no hydrogen 3.407 N/A SER 33.A OG ASP 30.A OD2 no hydrogen 2.932 N/A HIS 34.A NE2 MET 27.A O no hydrogen 3.127 N/A ASP 35.A N PHE 8.A O no hydrogen 2.741 N/A ASN 41.A N THR 38.A OG1 no hydrogen 3.349 N/A TYR 43.A N GLU 39.A O no hydrogen 3.080 N/A GLN 44.A N GLU 40.A O no hydrogen 2.979 N/A GLN 44.A NE2 PRO 163.A O no hydrogen 2.969 N/A LYS 45.A N ASN 41.A O no hydrogen 2.991 N/A ILE 46.A N LEU 42.A O no hydrogen 3.025 N/A PHE 47.A N TYR 43.A O no hydrogen 2.950 N/A ALA 48.A N GLN 44.A O no hydrogen 3.025 N/A SER 49.A N LYS 45.A O no hydrogen 2.943 N/A SER 49.A OG LYS 45.A O no hydrogen 2.798 N/A HIS 50.A N ILE 46.A O no hydrogen 2.982 N/A PHE 51.A N PHE 47.A O no hydrogen 3.164 N/A GLY 52.A N ALA 48.A O no hydrogen 3.025 N/A GLN 53.A N SER 49.A O no hydrogen 2.982 N/A LEU 54.A N HIS 50.A O no hydrogen 3.016 N/A SER 55.A N PHE 51.A O no hydrogen 3.002 N/A SER 55.A OG PHE 51.A O no hydrogen 3.491 N/A SER 55.A OG GLY 52.A O no hydrogen 2.268 N/A ILE 56.A N GLY 52.A O no hydrogen 3.038 N/A ILE 57.A N GLN 53.A O no hydrogen 3.022 N/A PHE 58.A N LEU 54.A O no hydrogen 3.055 N/A LEU 59.A N SER 55.A O no hydrogen 2.959 N/A TRP 60.A N ILE 56.A O no hydrogen 2.943 N/A THR 61.A N ILE 57.A O no hydrogen 3.054 N/A THR 61.A OG1 ILE 57.A O no hydrogen 3.196 N/A SER 62.A N PHE 58.A O no hydrogen 2.995 N/A SER 62.A OG LEU 59.A O no hydrogen 2.498 N/A GLY 63.A N LEU 59.A O no hydrogen 2.960 N/A ASN 64.A N TRP 60.A O no hydrogen 3.032 N/A LEU 65.A N THR 61.A O no hydrogen 3.027 N/A PHE 66.A N SER 62.A O no hydrogen 2.904 N/A HIS 67.A N GLY 63.A O no hydrogen 2.990 N/A VAL 68.A N ASN 64.A O no hydrogen 3.006 N/A ALA 69.A N LEU 65.A O no hydrogen 2.912 N/A TRP 70.A N PHE 66.A O no hydrogen 2.902 N/A GLN 71.A N HIS 67.A O no hydrogen 2.919 N/A GLY 72.A N VAL 68.A O no hydrogen 3.205 N/A GLN 76.A N ASN 73.A O no hydrogen 3.217 N/A TRP 77.A N ASN 73.A O no hydrogen 2.929 N/A THR 79.A N GLN 76.A O no hydrogen 3.485 N/A THR 79.A OG1 GLN 76.A O no hydrogen 2.782 N/A ASP 80.A N TRP 77.A O no hydrogen 3.369 N/A HIS 83.A ND1 ASP 80.A OD2 no hydrogen 2.365 N/A ALA 88.A N ASN 114.A O no hydrogen 2.892 N/A HIS 89.A ND1 ALA 90.A O no hydrogen 3.091 N/A ALA 90.A N GLN 71.A OE1 no hydrogen 2.458 N/A ILE 91.A N PRO 112.A O no hydrogen 2.642 N/A HIS 95.A N ASP 93.A OD1 no hydrogen 3.183 N/A HIS 95.A ND1 ASP 93.A OD1 no hydrogen 2.906 N/A PHE 96.A N ASP 93.A O no hydrogen 3.362 N/A VAL 101.A N GLY 97.A O no hydrogen 3.309 N/A GLU 102.A N GLN 98.A O no hydrogen 2.985 N/A ALA 103.A N PRO 99.A O no hydrogen 2.852 N/A ALA 103.A N ALA 100.A O no hydrogen 2.977 N/A PHE 104.A N ALA 100.A O no hydrogen 2.910 N/A THR 105.A N VAL 101.A O no hydrogen 3.323 N/A THR 105.A OG1 VAL 101.A O no hydrogen 3.072 N/A ARG 106.A NH1 PHE 104.A O no hydrogen 2.999 N/A ASN 114.A N HIS 89.A O no hydrogen 3.215 N/A SER 116.A N PRO 86.A O no hydrogen 3.372 N/A TRP 123.A N GLY 119.A O no hydrogen 3.347 N/A TRP 124.A N VAL 120.A O no hydrogen 2.945 N/A TYR 125.A N TYR 121.A O no hydrogen 2.901 N/A THR 126.A N GLN 122.A O no hydrogen 2.898 N/A THR 126.A OG1 GLN 122.A O no hydrogen 3.020 N/A ILE 127.A N TRP 123.A O no hydrogen 2.970 N/A MET 129.A N TRP 124.A O no hydrogen 3.032 N/A ARG 130.A NH1 TYR 125.A O no hydrogen 2.959 N/A ARG 130.A NH1 MET 129.A O no hydrogen 2.545 N/A ARG 130.A NH2 GLU 201.A O no hydrogen 3.184 N/A THR 131.A OG1 ASP 134.A OD2 no hydrogen 3.294 N/A TYR 136.A N ASN 132.A O no hydrogen 2.954 N/A VAL 137.A N GLN 133.A O no hydrogen 2.950 N/A GLY 138.A N ASP 134.A O no hydrogen 2.948 N/A SER 139.A N LEU 135.A O no hydrogen 2.929 N/A SER 139.A OG TYR 136.A O no hydrogen 2.604 N/A VAL 140.A N TYR 136.A O no hydrogen 2.961 N/A PHE 141.A N VAL 137.A O no hydrogen 2.970 N/A LEU 142.A N GLY 138.A O no hydrogen 2.930 N/A ALA 143.A N SER 139.A O no hydrogen 2.951 N/A LEU 144.A N VAL 140.A O no hydrogen 2.986 N/A VAL 145.A N PHE 141.A O no hydrogen 2.946 N/A SER 146.A N LEU 142.A O no hydrogen 2.909 N/A SER 146.A OG SER 55.A O no hydrogen 2.570 N/A ALA 147.A N ALA 143.A O no hydrogen 2.979 N/A ILE 148.A N LEU 144.A O no hydrogen 2.971 N/A PHE 149.A N VAL 145.A O no hydrogen 2.975 N/A LEU 150.A N SER 146.A O no hydrogen 2.960 N/A PHE 151.A N ALA 147.A O no hydrogen 2.944 N/A ALA 152.A N ILE 148.A O no hydrogen 2.944 N/A GLY 153.A N PHE 149.A O no hydrogen 2.948 N/A TRP 154.A N LEU 150.A O no hydrogen 3.019 N/A LEU 155.A N PHE 151.A O no hydrogen 2.827 N/A HIS 156.A N ALA 152.A O no hydrogen 3.005 N/A LEU 157.A N TRP 154.A O no hydrogen 3.408 N/A GLN 158.A N LEU 155.A O no hydrogen 2.847 N/A PHE 161.A N GLN 158.A O no hydrogen 2.875 N/A GLN 162.A NE2 LEU 157.A O no hydrogen 2.482 N/A TRP 167.A N SER 164.A O no hydrogen 3.309 N/A LYS 169.A NZ ASN 328.A OD1 no hydrogen 2.768 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.858 N/A ARG 174.A N ALA 171.A O no hydrogen 3.196 N/A LEU 175.A N ALA 171.A O no hydrogen 3.108 N/A ASN 176.A ND2 TYR 291.A O no hydrogen 3.106 N/A HIS 177.A ND1 SER 173.A O no hydrogen 2.439 N/A HIS 178.A N ARG 174.A O no hydrogen 2.920 N/A LEU 179.A N LEU 175.A O no hydrogen 2.857 N/A SER 180.A N ASN 176.A O no hydrogen 2.881 N/A SER 180.A OG ASN 176.A O no hydrogen 2.503 N/A LEU 182.A N HIS 177.A O no hydrogen 3.126 N/A PHE 183.A N HIS 178.A O no hydrogen 2.994 N/A GLY 184.A N LEU 179.A O no hydrogen 3.364 N/A VAL 185.A N SER 180.A O no hydrogen 3.129 N/A VAL 185.A N GLY 181.A O no hydrogen 2.909 N/A SER 186.A OG LEU 182.A O no hydrogen 2.706 N/A SER 187.A N PHE 183.A O no hydrogen 2.909 N/A SER 187.A OG HIS 277.A O no hydrogen 2.624 N/A LEU 188.A N GLY 184.A O no hydrogen 2.855 N/A ALA 189.A N VAL 185.A O no hydrogen 2.877 N/A TRP 190.A N SER 186.A O no hydrogen 2.889 N/A THR 191.A N SER 187.A O no hydrogen 2.942 N/A THR 191.A OG1 SER 187.A O no hydrogen 2.964 N/A GLY 192.A N LEU 188.A O no hydrogen 2.939 N/A HIS 193.A N ALA 189.A O no hydrogen 2.933 N/A LEU 194.A N TRP 190.A O no hydrogen 2.932 N/A VAL 195.A N THR 191.A O no hydrogen 2.937 N/A HIS 196.A N GLY 192.A O no hydrogen 2.927 N/A VAL 197.A N HIS 193.A O no hydrogen 2.914 N/A ALA 198.A N HIS 193.A O no hydrogen 3.244 N/A ILE 199.A N LEU 194.A O no hydrogen 2.950 N/A GLU 201.A N VAL 197.A O no hydrogen 2.882 N/A SER 202.A N ALA 198.A O no hydrogen 3.057 N/A SER 202.A OG ALA 198.A O no hydrogen 3.382 N/A SER 202.A OG ILE 199.A O no hydrogen 2.506 N/A ARG 203.A N PRO 200.A O no hydrogen 3.232 N/A ARG 203.A NH1 ALA 253.A O no hydrogen 2.716 N/A GLY 204.A N PRO 200.A O no hydrogen 3.083 N/A HIS 218.A ND1 GLN 252.A O no hydrogen 3.196 N/A PHE 226.A N THR 223.A O no hydrogen 3.243 N/A THR 227.A N THR 223.A O no hydrogen 2.943 N/A THR 227.A OG1 THR 223.A O no hydrogen 2.874 N/A GLY 228.A N PRO 224.A O no hydrogen 3.016 N/A ASN 229.A N PRO 224.A O no hydrogen 2.993 N/A TRP 230.A NE1 PHE 225.A O no hydrogen 3.266 N/A ALA 232.A N ASN 229.A O no hydrogen 2.791 N/A TYR 233.A N TRP 230.A O no hydrogen 2.993 N/A ALA 234.A N ALA 231.A O no hydrogen 3.417 N/A SER 236.A OG GLN 235.A O no hydrogen 2.499 N/A SER 236.A OG SER 236.A O no hydrogen 2.439 N/A THR 239.A N GLY 249.A O no hydrogen 2.895 N/A THR 239.A OG1 GLY 249.A O no hydrogen 3.012 N/A SER 241.A OG SER 241.A O no hydrogen 2.412 N/A THR 246.A N VAL 243.A O no hydrogen 3.414 N/A THR 246.A OG1 VAL 243.A O no hydrogen 3.392 N/A SER 250.A OG GLY 251.A O no hydrogen 3.206 N/A GLY 251.A N ASP 238.A OD1 no hydrogen 2.663 N/A GLN 252.A N SER 236.A O no hydrogen 3.001 N/A ILE 254.A N TYR 233.A O no hydrogen 2.991 N/A LEU 255.A N TYR 233.A O no hydrogen 3.465 N/A THR 256.A OG1 THR 271.A OG1 no hydrogen 2.393 N/A THR 256.A OG1 ASP 272.A OD1 no hydrogen 3.394 N/A LEU 258.A N ASP 272.A OD1 no hydrogen 3.222 N/A GLY 259.A N ASP 272.A OD2 no hydrogen 3.351 N/A HIS 262.A N SER 267.A O no hydrogen 2.525 N/A HIS 262.A NE2 HIS 242.A ND1 no hydrogen 3.246 N/A GLN 264.A N HIS 262.A ND1 no hydrogen 3.194 N/A THR 265.A OG1 HIS 262.A ND1 no hydrogen 3.298 N/A THR 265.A OG1 GLN 264.A OE1 no hydrogen 2.728 N/A GLN 266.A N HIS 262.A O no hydrogen 3.126 N/A SER 267.A OG LEU 268.A O no hydrogen 3.387 N/A LEU 268.A N PRO 356.A O no hydrogen 3.257 N/A THR 271.A OG1 THR 256.A OG1 no hydrogen 2.393 N/A ALA 274.A N LEU 270.A O no hydrogen 2.937 N/A HIS 275.A N THR 271.A O no hydrogen 2.950 N/A HIS 276.A N ASP 272.A O no hydrogen 2.846 N/A HIS 277.A N MET 273.A O no hydrogen 3.015 N/A HIS 277.A ND1 MET 273.A O no hydrogen 2.400 N/A LEU 278.A N ALA 274.A O no hydrogen 2.975 N/A ALA 279.A N HIS 275.A O no hydrogen 2.909 N/A ILE 280.A N HIS 276.A O no hydrogen 2.993 N/A ALA 281.A N HIS 277.A O no hydrogen 2.878 N/A VAL 282.A N LEU 278.A O no hydrogen 3.023 N/A ILE 283.A N ALA 279.A O no hydrogen 3.013 N/A PHE 284.A N ILE 280.A O no hydrogen 2.903 N/A ILE 285.A N ALA 281.A O no hydrogen 2.944 N/A VAL 286.A N VAL 282.A O no hydrogen 2.955 N/A ALA 287.A N ILE 283.A O no hydrogen 2.900 N/A GLY 288.A N ILE 285.A O no hydrogen 3.263 N/A TYR 291.A N ASN 176.A OD1 no hydrogen 3.290 N/A ARG 292.A NE GLY 296.A O no hydrogen 3.235 N/A PHE 295.A N THR 293.A O no hydrogen 2.425 N/A GLY 298.A N GLY 296.A O no hydrogen 2.658 N/A HIS 299.A N MET 290.A O no hydrogen 2.956 N/A ILE 304.A N ARG 300.A O no hydrogen 3.339 N/A LEU 305.A N MET 301.A O no hydrogen 2.959 N/A GLU 306.A N GLN 302.A O no hydrogen 2.874 N/A ALA 307.A N ALA 303.A O no hydrogen 2.977 N/A HIS 308.A ND1 ILE 304.A O no hydrogen 2.716 N/A SER 312.A OG PRO 311.A O no hydrogen 2.354 N/A ALA 317.A N GLY 405.A O no hydrogen 2.449 N/A HIS 319.A ND1 HIS 308.A O no hydrogen 2.720 N/A LYS 320.A N ALA 317.A O no hydrogen 3.266 N/A LYS 320.A NZ GLU 306.A OE2 no hydrogen 3.562 N/A LEU 322.A N HIS 319.A O no hydrogen 3.471 N/A THR 325.A N LEU 322.A O no hydrogen 2.761 N/A THR 325.A OG1 LEU 322.A O no hydrogen 2.791 N/A VAL 326.A N LEU 322.A O no hydrogen 2.867 N/A ASN 327.A N PHE 323.A O no hydrogen 3.375 N/A ASN 327.A ND2 LYS 169.A O no hydrogen 3.383 N/A ASN 328.A ND2 ASP 324.A O no hydrogen 2.361 N/A SER 329.A OG ASP 397.A OD2 no hydrogen 2.382 N/A HIS 331.A NE2 GLU 32.A OE1 no hydrogen 2.936 N/A GLN 333.A NE2 VAL 326.A O no hydrogen 2.829 N/A LEU 334.A N LEU 330.A O no hydrogen 2.871 N/A GLY 335.A N HIS 331.A O no hydrogen 2.857 N/A LEU 336.A N PHE 332.A O no hydrogen 3.012 N/A ALA 337.A N GLN 333.A O no hydrogen 2.910 N/A LEU 338.A N LEU 334.A O no hydrogen 2.905 N/A ALA 339.A N GLY 335.A O no hydrogen 2.955 N/A SER 340.A N LEU 336.A O no hydrogen 2.976 N/A SER 340.A OG LEU 336.A O no hydrogen 3.081 N/A VAL 341.A N ALA 337.A O no hydrogen 2.905 N/A GLY 342.A N LEU 338.A O no hydrogen 2.879 N/A THR 343.A N ALA 339.A O no hydrogen 3.039 N/A THR 343.A OG1 ALA 339.A O no hydrogen 3.234 N/A ILE 344.A N SER 340.A O no hydrogen 2.941 N/A THR 345.A N VAL 341.A O no hydrogen 2.862 N/A THR 345.A OG1 VAL 341.A O no hydrogen 2.601 N/A SER 346.A N GLY 342.A O no hydrogen 3.044 N/A SER 346.A OG GLY 342.A O no hydrogen 3.542 N/A LEU 347.A N THR 343.A O no hydrogen 2.973 N/A VAL 348.A N ILE 344.A O no hydrogen 2.856 N/A ALA 349.A N THR 345.A O no hydrogen 3.054 N/A GLN 350.A N SER 346.A O no hydrogen 2.906 N/A HIS 351.A N LEU 347.A O no hydrogen 2.954 N/A MET 352.A N VAL 348.A O no hydrogen 2.925 N/A TYR 353.A N ALA 349.A O no hydrogen 3.112 N/A SER 354.A OG GLN 350.A O no hydrogen 3.115 N/A SER 354.A OG HIS 351.A O no hydrogen 3.269 N/A LEU 355.A N HIS 351.A O no hydrogen 2.856 N/A TYR 358.A N GLN 361.A OE1 no hydrogen 3.449 N/A ALA 359.A N THR 126.A OG1 no hydrogen 2.753 N/A GLN 361.A N TYR 358.A O no hydrogen 3.089 N/A THR 367.A OG1 ASP 364.A OD2 no hydrogen 2.411 N/A GLN 368.A NE2 TYR 353.A O no hydrogen 3.431 N/A ALA 369.A N PHE 365.A O no hydrogen 2.990 N/A ALA 370.A N THR 366.A O no hydrogen 2.933 N/A LEU 371.A N THR 367.A O no hydrogen 2.928 N/A TYR 372.A N GLN 368.A O no hydrogen 3.012 N/A TYR 372.A OH GLN 350.A OE1 no hydrogen 2.669 N/A THR 373.A N ALA 369.A O no hydrogen 2.988 N/A THR 373.A OG1 ALA 369.A O no hydrogen 2.859 N/A HIS 374.A N ALA 370.A O no hydrogen 2.894 N/A HIS 375.A N LEU 371.A O no hydrogen 3.033 N/A HIS 375.A ND1 LEU 371.A O no hydrogen 3.046 N/A GLN 376.A N TYR 372.A O no hydrogen 3.007 N/A TYR 377.A N THR 373.A O no hydrogen 3.063 N/A ILE 378.A N HIS 374.A O no hydrogen 3.016 N/A ALA 379.A N HIS 375.A O no hydrogen 2.945 N/A GLY 380.A N GLN 376.A O no hydrogen 3.006 N/A PHE 381.A N TYR 377.A O no hydrogen 3.103 N/A ILE 382.A N ILE 378.A O no hydrogen 3.021 N/A MET 383.A N ALA 379.A O no hydrogen 2.988 N/A CYS 384.A N GLY 380.A O no hydrogen 3.075 N/A CYS 384.A SG GLY 380.A O no hydrogen 3.514 N/A GLY 385.A N PHE 381.A O no hydrogen 3.000 N/A ALA 386.A N ILE 382.A O no hydrogen 2.998 N/A PHE 387.A N MET 383.A O no hydrogen 3.150 N/A ALA 388.A N CYS 384.A O no hydrogen 3.000 N/A HIS 389.A N GLY 385.A O no hydrogen 2.955 N/A GLY 390.A N ALA 386.A O no hydrogen 3.000 N/A ALA 391.A N PHE 387.A O no hydrogen 3.058 N/A ILE 392.A N ALA 388.A O no hydrogen 3.015 N/A PHE 393.A N HIS 389.A O no hydrogen 2.899 N/A PHE 394.A N GLY 390.A O no hydrogen 3.033 N/A ILE 395.A N ALA 391.A O no hydrogen 3.054 N/A ARG 396.A N ILE 392.A O no hydrogen 2.900 N/A ARG 396.A NH1 ASP 30.A OD1 no hydrogen 3.317 N/A ARG 396.A NH1 GLU 32.A OE1 no hydrogen 3.050 N/A ARG 396.A NH2 ASP 30.A OD2 no hydrogen 3.433 N/A ASP 397.A N PHE 393.A O no hydrogen 2.930 N/A ASN 403.A N PRO 400.A O no hydrogen 2.852 N/A ASN 403.A ND2 ASP 399.A O no hydrogen 3.046 N/A LYS 404.A NZ GLU 401.A OE1 no hydrogen 2.707 N/A LYS 404.A NZ GLU 401.A OE2 no hydrogen 3.252 N/A ASN 406.A ND2 ASN 403.A OD1 no hydrogen 2.890 N/A VAL 407.A N GLY 318.A O no hydrogen 3.022 N/A ALA 409.A N ASN 406.A OD1 no hydrogen 3.002 N/A ARG 410.A N ASN 406.A O no hydrogen 3.348 N/A MET 411.A N VAL 407.A O no hydrogen 2.961 N/A ASP 413.A N ARG 410.A O no hydrogen 3.016 N/A HIS 414.A ND1 ARG 410.A O no hydrogen 2.677 N/A LYS 415.A NZ LEU 539.A O no hydrogen 2.748 N/A LYS 415.A NZ ASP 540.A OD1 no hydrogen 3.307 N/A GLU 416.A N GLU 416.A OE1 no hydrogen 2.741 N/A ALA 417.A N HIS 414.A O no hydrogen 3.163 N/A ILE 419.A N LYS 415.A O no hydrogen 2.964 N/A SER 420.A N GLU 416.A O no hydrogen 2.853 N/A SER 420.A OG GLU 416.A O no hydrogen 2.548 N/A HIS 421.A N ALA 417.A O no hydrogen 2.937 N/A HIS 421.A ND1 ALA 417.A O no hydrogen 2.388 N/A LEU 422.A N LEU 418.A O no hydrogen 2.956 N/A SER 423.A N ILE 419.A O no hydrogen 2.922 N/A TRP 424.A N SER 420.A O no hydrogen 2.869 N/A VAL 425.A N HIS 421.A O no hydrogen 2.975 N/A SER 426.A N LEU 422.A O no hydrogen 2.986 N/A SER 426.A OG LEU 422.A O no hydrogen 3.160 N/A SER 426.A OG SER 423.A O no hydrogen 2.535 N/A LEU 427.A N SER 423.A O no hydrogen 2.933 N/A PHE 428.A N TRP 424.A O no hydrogen 2.889 N/A LEU 429.A N VAL 425.A O no hydrogen 2.981 N/A GLY 430.A N SER 426.A O no hydrogen 2.945 N/A PHE 431.A N LEU 427.A O no hydrogen 2.920 N/A HIS 432.A N PHE 428.A O no hydrogen 3.058 N/A HIS 432.A ND1 PHE 428.A O no hydrogen 3.132 N/A THR 433.A N LEU 429.A O no hydrogen 2.882 N/A THR 433.A OG1 LEU 429.A O no hydrogen 2.582 N/A LEU 434.A N GLY 430.A O no hydrogen 2.980 N/A GLY 435.A N PHE 431.A O no hydrogen 2.858 N/A LEU 436.A N HIS 432.A O no hydrogen 2.921 N/A TYR 437.A N THR 433.A O no hydrogen 3.032 N/A VAL 438.A N LEU 434.A O no hydrogen 2.914 N/A HIS 439.A N GLY 435.A O no hydrogen 2.871 N/A ASN 440.A N LEU 436.A O no hydrogen 2.968 N/A ASN 440.A ND2 ILE 453.A O no hydrogen 3.663 N/A ASN 440.A ND2 THR 614.A O no hydrogen 3.114 N/A ASP 441.A N TYR 437.A O no hydrogen 2.931 N/A VAL 442.A N VAL 438.A O no hydrogen 2.910 N/A MET 443.A N HIS 439.A O no hydrogen 2.967 N/A GLN 444.A N ASN 440.A O no hydrogen 2.915 N/A ALA 445.A N ASP 441.A O no hydrogen 2.883 N/A PHE 446.A N VAL 442.A O no hydrogen 3.153 N/A THR 448.A OG1 THR 448.A O no hydrogen 2.510 N/A GLU 450.A N GLU 450.A OE1 no hydrogen 2.562 N/A GLN 461.A N PRO 457.A O no hydrogen 3.379 N/A GLN 461.A NE2 GLU 456.A OE2 no hydrogen 2.537 N/A GLN 461.A NE2 ILE 512.A O no hydrogen 2.751 N/A TRP 462.A N VAL 458.A O no hydrogen 2.892 N/A ILE 463.A N PHE 459.A O no hydrogen 2.970 N/A GLN 464.A N ALA 460.A O no hydrogen 2.887 N/A GLN 464.A NE2 LEU 510.A O no hydrogen 3.090 N/A ALA 465.A N GLN 461.A O no hydrogen 2.917 N/A ALA 466.A N TRP 462.A O no hydrogen 2.903 N/A HIS 467.A N ILE 463.A O no hydrogen 2.975 N/A LYS 469.A N GLN 464.A O no hydrogen 3.095 N/A ALA 470.A N ASN 502.A OD1 no hydrogen 3.280 N/A LEU 471.A N LYS 469.A O no hydrogen 2.916 N/A TYR 472.A OH GLN 464.A OE1 no hydrogen 3.233 N/A LEU 478.A N PHE 476.A O no hydrogen 2.811 N/A SER 479.A N PHE 476.A O no hydrogen 3.507 N/A SER 479.A OG ALA 465.A O no hydrogen 2.524 N/A LYS 481.A NZ SER 479.A O no hydrogen 3.267 N/A ALA 485.A N SER 483.A OG no hydrogen 3.324 N/A ALA 487.A N SER 483.A O no hydrogen 3.315 N/A ASN 488.A N ALA 484.A O no hydrogen 2.907 N/A GLY 489.A N ALA 485.A O no hydrogen 2.971 N/A GLN 490.A N ALA 487.A O no hydrogen 3.465 N/A LEU 494.A N GLY 489.A O no hydrogen 3.247 N/A LEU 498.A N LEU 494.A O no hydrogen 2.938 N/A ASP 499.A N PRO 495.A O no hydrogen 3.207 N/A ALA 500.A N GLY 496.A O no hydrogen 2.934 N/A ILE 501.A N LEU 498.A O no hydrogen 3.169 N/A ASN 502.A N LEU 498.A O no hydrogen 3.009 N/A GLN 505.A N ASN 503.A OD1 no hydrogen 3.080 N/A ASN 506.A ND2 ALA 500.A O no hydrogen 2.945 N/A SER 507.A OG HIS 598.A NE2 no hydrogen 3.054 N/A ASP 516.A N GLY 513.A O no hydrogen 2.889 N/A PHE 517.A N GLY 513.A O no hydrogen 3.236 N/A LEU 518.A N PRO 514.A O no hydrogen 3.053 N/A VAL 519.A N GLY 515.A O no hydrogen 2.942 N/A HIS 520.A N ASP 516.A O no hydrogen 2.871 N/A HIS 520.A ND1 ASP 516.A O no hydrogen 2.640 N/A HIS 521.A N PHE 517.A O no hydrogen 3.074 N/A HIS 521.A ND1 PHE 517.A O no hydrogen 2.447 N/A ALA 522.A N LEU 518.A O no hydrogen 3.002 N/A ILE 523.A N VAL 519.A O no hydrogen 2.900 N/A ALA 524.A N HIS 520.A O no hydrogen 2.941 N/A LEU 525.A N HIS 521.A O no hydrogen 2.901 N/A GLY 526.A N ALA 522.A O no hydrogen 2.972 N/A LEU 527.A N ILE 523.A O no hydrogen 2.964 N/A HIS 528.A N ALA 524.A O no hydrogen 2.962 N/A HIS 528.A ND1 ALA 524.A O no hydrogen 2.401 N/A THR 529.A N LEU 525.A O no hydrogen 2.913 N/A THR 529.A OG1 LEU 525.A O no hydrogen 2.803 N/A THR 530.A N GLY 526.A O no hydrogen 2.949 N/A THR 530.A OG1 GLY 526.A O no hydrogen 2.736 N/A THR 531.A N LEU 527.A O no hydrogen 2.943 N/A THR 531.A OG1 LEU 527.A O no hydrogen 2.606 N/A LEU 532.A N HIS 528.A O no hydrogen 2.877 N/A ILE 533.A N THR 529.A O no hydrogen 2.985 N/A LEU 534.A N THR 530.A O no hydrogen 2.992 N/A VAL 535.A N THR 531.A O no hydrogen 2.819 N/A LYS 536.A N LEU 532.A O no hydrogen 2.906 N/A GLY 537.A N ILE 533.A O no hydrogen 2.945 N/A ALA 538.A N LEU 534.A O no hydrogen 2.891 N/A LEU 539.A N VAL 535.A O no hydrogen 2.912 N/A ASP 540.A N LYS 536.A O no hydrogen 2.957 N/A ALA 541.A N ALA 538.A O no hydrogen 3.280 N/A SER 544.A N MET 547.A O no hydrogen 2.596 N/A LYS 550.A NZ ASP 540.A O no hydrogen 2.965 N/A LYS 550.A NZ ILE 570.A O no hydrogen 3.085 N/A LYS 551.A NZ ASP 552.A OD1 no hydrogen 3.213 N/A ASP 552.A N ASP 549.A O no hydrogen 3.231 N/A PHE 553.A N LYS 550.A O no hydrogen 3.359 N/A ASP 560.A N THR 567.A OG1 no hydrogen 3.048 N/A GLY 566.A N GLY 563.A O no hydrogen 2.729 N/A THR 567.A N GLY 561.A O no hydrogen 3.186 N/A THR 567.A OG1 THR 567.A O no hydrogen 2.515 N/A SER 571.A OG PHE 557.A O no hydrogen 3.569 N/A SER 571.A OG ASP 574.A OD2 no hydrogen 2.082 N/A ASP 574.A N SER 571.A O no hydrogen 3.167 N/A ASP 574.A N SER 571.A OG no hydrogen 3.049 N/A ALA 575.A N SER 571.A O no hydrogen 3.248 N/A PHE 576.A N ALA 572.A O no hydrogen 3.011 N/A TYR 577.A N TYR 573.A O no hydrogen 2.840 N/A TYR 577.A OH ARG 706.A O no hydrogen 2.757 N/A LEU 578.A N ASP 574.A O no hydrogen 2.923 N/A ALA 579.A N ALA 575.A O no hydrogen 2.991 N/A VAL 580.A N PHE 576.A O no hydrogen 3.058 N/A MET 583.A N ALA 579.A O no hydrogen 3.017 N/A LEU 584.A N VAL 580.A O no hydrogen 3.018 N/A ASN 585.A N PHE 581.A O no hydrogen 2.941 N/A THR 586.A N TRP 582.A O no hydrogen 2.883 N/A THR 586.A OG1 TRP 582.A O no hydrogen 2.847 N/A ILE 587.A N MET 583.A O no hydrogen 3.026 N/A GLY 588.A N LEU 584.A O no hydrogen 2.936 N/A TRP 589.A N ASN 585.A O no hydrogen 2.923 N/A VAL 590.A N THR 586.A O no hydrogen 3.009 N/A THR 591.A N ILE 587.A O no hydrogen 2.919 N/A THR 591.A OG1 ILE 587.A O no hydrogen 2.376 N/A THR 591.A OG1 GLY 588.A O no hydrogen 3.105 N/A PHE 592.A N GLY 588.A O no hydrogen 2.879 N/A TYR 593.A N TRP 589.A O no hydrogen 2.946 N/A TYR 593.A OH ASP 516.A OD1 no hydrogen 2.199 N/A TRP 594.A N VAL 590.A O no hydrogen 2.916 N/A HIS 595.A N THR 591.A O no hydrogen 2.885 N/A HIS 595.A ND1 TYR 623.A OH no hydrogen 2.330 N/A HIS 595.A NE2 THR 729.A OG1 no hydrogen 2.913 N/A TRP 596.A N PHE 592.A O no hydrogen 2.932 N/A LYS 597.A N TYR 593.A O no hydrogen 2.999 N/A LYS 597.A NZ THR 511.A O no hydrogen 3.252 N/A HIS 598.A N TRP 594.A O no hydrogen 2.982 N/A HIS 598.A ND1 TRP 594.A O no hydrogen 3.281 N/A HIS 598.A NE2 SER 507.A OG no hydrogen 3.054 N/A LEU 599.A N HIS 595.A O no hydrogen 2.846 N/A THR 600.A N TRP 596.A O no hydrogen 2.965 N/A THR 600.A OG1 TRP 596.A O no hydrogen 3.190 N/A THR 600.A OG1 LYS 597.A O no hydrogen 2.819 N/A LEU 601.A N LYS 597.A O no hydrogen 2.935 N/A TRP 602.A N HIS 598.A O no hydrogen 2.849 N/A GLN 603.A N LEU 599.A O no hydrogen 2.913 N/A GLY 604.A N THR 600.A O no hydrogen 3.252 N/A ASN 605.A ND2 GLN 608.A OE1 no hydrogen 2.769 N/A ASP 610.A N VAL 606.A O no hydrogen 2.932 N/A GLU 611.A N ALA 607.A O no hydrogen 2.920 N/A SER 612.A N GLN 608.A O no hydrogen 2.902 N/A SER 612.A OG GLN 608.A O no hydrogen 3.407 N/A SER 612.A OG ASP 622.A OD2 no hydrogen 3.151 N/A SER 613.A N PHE 609.A O no hydrogen 2.885 N/A THR 614.A OG1 GLU 611.A O no hydrogen 3.358 N/A MET 617.A N ASP 441.A OD1 no hydrogen 3.283 N/A GLY 618.A N TYR 615.A O no hydrogen 2.663 N/A LEU 620.A N LEU 616.A O no hydrogen 2.978 N/A ARG 621.A N MET 617.A O no hydrogen 2.893 N/A ARG 621.A NE ASP 622.A OD1 no hydrogen 3.446 N/A ASP 622.A N GLY 618.A O no hydrogen 2.885 N/A TYR 623.A N TRP 619.A O no hydrogen 2.940 N/A TYR 623.A OH HIS 595.A ND1 no hydrogen 2.330 N/A LEU 624.A N TRP 619.A O no hydrogen 3.221 N/A TRP 625.A N LEU 620.A O no hydrogen 3.108 N/A LEU 626.A N ARG 621.A O no hydrogen 3.144 N/A ASN 627.A ND2 TYR 623.A O no hydrogen 2.812 N/A SER 628.A OG LEU 624.A O no hydrogen 3.157 N/A SER 628.A OG TRP 625.A O no hydrogen 3.442 N/A SER 629.A OG LEU 626.A O no hydrogen 2.930 N/A ASN 633.A ND2 SER 629.A O no hydrogen 2.681 N/A GLY 634.A N LEU 631.A O no hydrogen 2.804 N/A ASN 636.A N GLY 639.A O no hydrogen 2.956 N/A PHE 638.A N ASN 636.A OD1 no hydrogen 2.694 N/A GLY 639.A N ASN 636.A O no hydrogen 3.286 N/A GLY 639.A N ASN 636.A OD1 no hydrogen 2.630 N/A ASN 641.A N GLY 634.A O no hydrogen 3.418 N/A TRP 648.A N VAL 645.A O no hydrogen 3.007 N/A THR 649.A N VAL 645.A O no hydrogen 2.816 N/A THR 649.A OG1 VAL 645.A O no hydrogen 2.995 N/A PHE 650.A N TRP 646.A O no hydrogen 2.736 N/A LEU 651.A N TRP 648.A O no hydrogen 3.033 N/A PHE 652.A N TRP 648.A O no hydrogen 2.962 N/A GLY 653.A N THR 649.A O no hydrogen 2.871 N/A HIS 654.A ND1 PHE 650.A O no hydrogen 2.659 N/A LEU 655.A N LEU 651.A O no hydrogen 3.006 N/A ILE 656.A N PHE 652.A O no hydrogen 3.032 N/A TYR 657.A N GLY 653.A O no hydrogen 2.895 N/A ALA 658.A N HIS 654.A O no hydrogen 2.742 N/A THR 659.A N LEU 655.A O no hydrogen 2.947 N/A THR 659.A OG1 LEU 655.A O no hydrogen 3.032 N/A GLY 660.A N ILE 656.A O no hydrogen 2.811 N/A PHE 661.A N TYR 657.A O no hydrogen 3.253 N/A PHE 661.A N ALA 658.A O no hydrogen 2.983 N/A MET 662.A N THR 659.A O no hydrogen 2.945 N/A LEU 664.A N PHE 661.A O no hydrogen 2.963 N/A ILE 665.A N PHE 661.A O no hydrogen 2.875 N/A SER 666.A N MET 662.A O no hydrogen 3.271 N/A SER 666.A OG MET 662.A O no hydrogen 2.957 N/A SER 666.A OG SER 666.A O no hydrogen 2.390 N/A ARG 668.A NH2 GLN 672.A OE1 no hydrogen 2.921 N/A TRP 671.A N ARG 668.A O no hydrogen 2.624 N/A TRP 671.A NE1 SER 666.A OG no hydrogen 3.310 N/A GLN 672.A NE2 GLU 676.A OE2 no hydrogen 3.051 N/A GLU 673.A N GLY 669.A O no hydrogen 3.043 N/A LEU 674.A N TYR 670.A O no hydrogen 3.011 N/A ILE 675.A N TRP 671.A O no hydrogen 2.873 N/A GLU 676.A N GLN 672.A O no hydrogen 2.962 N/A THR 677.A N GLU 673.A O no hydrogen 3.046 N/A THR 677.A OG1 LEU 674.A O no hydrogen 2.666 N/A LEU 678.A N LEU 674.A O no hydrogen 3.009 N/A VAL 679.A N ILE 675.A O no hydrogen 2.906 N/A TRP 680.A N GLU 676.A O no hydrogen 3.015 N/A ALA 681.A N THR 677.A O no hydrogen 2.938 N/A HIS 682.A N LEU 678.A O no hydrogen 2.943 N/A HIS 682.A NE2 VAL 691.A O no hydrogen 2.583 N/A GLU 683.A N VAL 679.A O no hydrogen 2.931 N/A LYS 684.A N TRP 680.A O no hydrogen 2.991 N/A THR 685.A OG1 ALA 681.A O no hydrogen 2.358 N/A TYR 692.A OH ASN 689.A O no hydrogen 2.713 N/A LYS 696.A N PRO 16.A O no hydrogen 3.035 N/A ALA 699.A N GLN 672.A OE1 no hydrogen 3.453 N/A SER 701.A OG TYR 23.A OH no hydrogen 2.782 N/A ALA 705.A N SER 701.A O no hydrogen 3.218 N/A VAL 708.A N GLN 704.A O no hydrogen 2.918 N/A GLY 709.A N ALA 705.A O no hydrogen 2.867 N/A LEU 710.A N ARG 706.A O no hydrogen 2.917 N/A ALA 711.A N LEU 707.A O no hydrogen 2.869 N/A HIS 712.A N VAL 708.A O no hydrogen 2.993 N/A HIS 712.A ND1 VAL 708.A O no hydrogen 2.749 N/A PHE 713.A N GLY 709.A O no hydrogen 2.916 N/A SER 714.A N LEU 710.A O no hydrogen 2.895 N/A SER 714.A OG LEU 710.A O no hydrogen 2.823 N/A VAL 715.A N ALA 711.A O no hydrogen 2.924 N/A GLY 716.A N HIS 712.A O no hydrogen 2.923 N/A TYR 717.A N PHE 713.A O no hydrogen 2.947 N/A ILE 718.A N SER 714.A O no hydrogen 2.915 N/A PHE 719.A N VAL 715.A O no hydrogen 2.926 N/A THR 720.A N GLY 716.A O no hydrogen 2.949 N/A THR 720.A OG1 GLY 716.A O no hydrogen 2.670 N/A TYR 721.A N TYR 717.A O no hydrogen 3.057 N/A ALA 722.A N ILE 718.A O no hydrogen 2.890 N/A ALA 723.A N PHE 719.A O no hydrogen 2.936 N/A PHE 724.A N THR 720.A O no hydrogen 3.010 N/A LEU 725.A N TYR 721.A O no hydrogen 2.896 N/A ILE 726.A N ALA 722.A O no hydrogen 2.937 N/A ALA 727.A N ALA 723.A O no hydrogen 2.920 N/A SER 728.A N PHE 724.A O no hydrogen 2.869 N/A SER 728.A OG PHE 724.A O no hydrogen 3.003 N/A SER 728.A OG LEU 725.A O no hydrogen 3.234 N/A THR 729.A N LEU 725.A O no hydrogen 2.996 N/A THR 729.A OG1 LEU 725.A O no hydrogen 3.042 N/A SER 730.A N ILE 726.A O no hydrogen 2.912 N/A SER 730.A OG ILE 726.A O no hydrogen 2.430 N/A GLY 731.A N ALA 727.A O no hydrogen 2.814 N/A ARG 732.A N SER 728.A O no hydrogen 3.012 N/A ARG 732.A NH1 ASN 627.A OD1 no hydrogen 2.884 N/A PHE 733.A N THR 729.A O no hydrogen 2.906 N/A