Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6hqb_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 ALA 2.A O no hydrogen 2.537 N/A GLN 10.A N ASP 35.A OD2 no hydrogen 2.783 N/A ALA 13.A N SER 9.A O no hydrogen 3.294 N/A GLN 14.A N GLN 10.A O no hydrogen 2.914 N/A THR 17.A N ASP 15.A OD2 no hydrogen 2.997 N/A THR 17.A OG1 ASP 15.A OD2 no hydrogen 2.409 N/A THR 18.A N LYS 693.A O no hydrogen 3.185 N/A ARG 19.A N THR 17.A OG1 no hydrogen 3.308 N/A ARG 20.A NE ASP 15.A O no hydrogen 3.226 N/A ILE 21.A N THR 18.A O no hydrogen 2.932 N/A TYR 23.A N ARG 19.A O no hydrogen 3.096 N/A TYR 23.A OH SER 698.A OG no hydrogen 2.840 N/A ILE 25.A N TRP 22.A O no hydrogen 2.900 N/A ALA 26.A N TRP 22.A O no hydrogen 3.072 N/A THR 27.A OG1 TYR 23.A O no hydrogen 2.381 N/A ALA 28.A N ILE 25.A O no hydrogen 3.071 N/A PHE 31.A N HIS 29.A O no hydrogen 2.902 N/A THR 33.A N ASP 30.A O no hydrogen 3.316 N/A THR 33.A OG1 ASP 30.A O no hydrogen 2.855 N/A HIS 34.A N PHE 31.A O no hydrogen 3.250 N/A ASP 35.A N PHE 8.A O no hydrogen 2.612 N/A THR 38.A OG1 ASN 41.A OD1 no hydrogen 2.685 N/A ASN 41.A ND2 GLN 44.A OE1 no hydrogen 3.430 N/A LEU 42.A N THR 38.A O no hydrogen 3.231 N/A GLN 44.A N GLU 40.A O no hydrogen 2.966 N/A GLN 44.A NE2 GLU 40.A OE2 no hydrogen 2.944 N/A GLN 44.A NE2 PRO 163.A O no hydrogen 2.564 N/A LYS 45.A N ASN 41.A O no hydrogen 2.903 N/A ILE 46.A N LEU 42.A O no hydrogen 2.980 N/A PHE 47.A N TYR 43.A O no hydrogen 2.859 N/A ALA 48.A N GLN 44.A O no hydrogen 2.986 N/A SER 49.A N LYS 45.A O no hydrogen 2.934 N/A SER 49.A OG LYS 45.A O no hydrogen 2.872 N/A HIS 50.A N ILE 46.A O no hydrogen 2.899 N/A HIS 50.A ND1 ILE 46.A O no hydrogen 2.541 N/A PHE 51.A N PHE 47.A O no hydrogen 2.996 N/A GLY 52.A N ALA 48.A O no hydrogen 2.967 N/A HIS 53.A N SER 49.A O no hydrogen 2.881 N/A ILE 54.A N HIS 50.A O no hydrogen 2.934 N/A ALA 55.A N PHE 51.A O no hydrogen 3.022 N/A ILE 56.A N GLY 52.A O no hydrogen 2.899 N/A ILE 57.A N HIS 53.A O no hydrogen 2.926 N/A PHE 58.A N ILE 54.A O no hydrogen 2.989 N/A LEU 59.A N ALA 55.A O no hydrogen 2.883 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 2.980 N/A THR 61.A OG1 ILE 57.A O no hydrogen 3.020 N/A SER 62.A N PHE 58.A O no hydrogen 2.870 N/A SER 62.A OG ALA 139.A O no hydrogen 3.041 N/A GLY 63.A N LEU 59.A O no hydrogen 2.929 N/A THR 64.A N TRP 60.A O no hydrogen 2.964 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.964 N/A LEU 65.A N THR 61.A O no hydrogen 2.946 N/A PHE 66.A N SER 62.A O no hydrogen 2.870 N/A HIS 67.A N GLY 63.A O no hydrogen 2.974 N/A VAL 68.A N THR 64.A O no hydrogen 3.423 N/A ALA 69.A N LEU 65.A O no hydrogen 2.955 N/A GLN 71.A N HIS 67.A O no hydrogen 2.892 N/A GLY 72.A N VAL 68.A O no hydrogen 3.138 N/A ASN 73.A ND2 ARG 85.A O no hydrogen 3.071 N/A GLN 76.A N GLN 76.A OE1 no hydrogen 2.702 N/A TRP 77.A N ASN 73.A O no hydrogen 2.916 N/A ILE 78.A N PHE 74.A O no hydrogen 2.926 N/A LYS 79.A N GLU 75.A O no hydrogen 3.385 N/A LYS 79.A N GLN 76.A O no hydrogen 2.926 N/A ASP 80.A N GLN 76.A O no hydrogen 3.345 N/A ASN 83.A N ASP 80.A O no hydrogen 3.472 N/A ILE 84.A N ASP 80.A O no hydrogen 3.013 N/A ARG 85.A NH1 ASP 362.A OD1 no hydrogen 3.162 N/A ILE 87.A N TYR 121.A OH no hydrogen 3.113 N/A ALA 88.A N ASN 114.A O no hydrogen 2.997 N/A HIS 89.A ND1 ALA 90.A O no hydrogen 3.034 N/A ALA 90.A N GLN 71.A OE1 no hydrogen 2.540 N/A ILE 91.A N PRO 112.A O no hydrogen 3.291 N/A HIS 95.A ND1 ASP 93.A OD1 no hydrogen 2.793 N/A ASN 102.A N GLU 98.A O no hydrogen 2.894 N/A ALA 103.A N GLY 99.A O no hydrogen 2.917 N/A PHE 104.A N ALA 100.A O no hydrogen 2.883 N/A THR 105.A OG1 VAL 101.A O no hydrogen 2.689 N/A GLN 106.A N PHE 104.A O no hydrogen 2.846 N/A ALA 109.A N GLN 106.A O no hydrogen 3.131 N/A ASN 111.A ND2 PRO 112.A O no hydrogen 3.107 N/A VAL 113.A N PHE 104.A O no hydrogen 2.673 N/A ASN 114.A N HIS 89.A O no hydrogen 3.112 N/A ALA 116.A N PRO 86.A O no hydrogen 3.081 N/A TYR 121.A OH ASN 73.A OD1 no hydrogen 3.383 N/A TYR 121.A OH ILE 87.A O no hydrogen 2.383 N/A PHE 124.A N VAL 120.A O no hydrogen 2.919 N/A TYR 125.A N TYR 121.A O no hydrogen 2.927 N/A THR 126.A N HIS 122.A O no hydrogen 2.900 N/A THR 126.A OG1 HIS 122.A O no hydrogen 2.361 N/A ILE 127.A N TRP 123.A O no hydrogen 2.920 N/A GLY 128.A N PHE 124.A O no hydrogen 3.394 N/A THR 130.A N GLU 134.A OE1 no hydrogen 2.762 N/A THR 130.A OG1 GLU 201.A OE2 no hydrogen 3.383 N/A THR 131.A N GLU 134.A OE1 no hydrogen 2.931 N/A TYR 136.A N ASN 132.A O no hydrogen 2.904 N/A SER 137.A N GLN 133.A O no hydrogen 2.891 N/A SER 137.A OG GLN 133.A O no hydrogen 2.816 N/A GLY 138.A N GLU 134.A O no hydrogen 2.945 N/A ALA 139.A N LEU 135.A O no hydrogen 2.902 N/A VAL 140.A N TYR 136.A O no hydrogen 2.966 N/A PHE 141.A N SER 137.A O no hydrogen 2.929 N/A LEU 142.A N GLY 138.A O no hydrogen 2.916 N/A LEU 143.A N ALA 139.A O no hydrogen 2.902 N/A VAL 144.A N VAL 140.A O no hydrogen 2.971 N/A LEU 145.A N PHE 141.A O no hydrogen 2.900 N/A ALA 146.A N LEU 142.A O no hydrogen 2.932 N/A SER 147.A OG LEU 143.A O no hydrogen 3.333 N/A LEU 148.A N VAL 144.A O no hydrogen 2.923 N/A PHE 149.A N LEU 145.A O no hydrogen 2.989 N/A LEU 150.A N ALA 146.A O no hydrogen 2.910 N/A PHE 151.A N SER 147.A O no hydrogen 2.922 N/A ALA 152.A N LEU 148.A O no hydrogen 2.908 N/A GLY 153.A N PHE 149.A O no hydrogen 2.964 N/A TRP 154.A N LEU 150.A O no hydrogen 2.960 N/A LEU 155.A N PHE 151.A O no hydrogen 2.843 N/A HIS 156.A N ALA 152.A O no hydrogen 2.921 N/A HIS 156.A ND1 ALA 152.A O no hydrogen 2.463 N/A LEU 157.A N GLY 153.A O no hydrogen 2.982 N/A GLN 158.A N LEU 155.A O no hydrogen 3.060 N/A GLN 158.A NE2 TRP 154.A O no hydrogen 3.291 N/A ARG 162.A N PRO 159.A O no hydrogen 3.294 N/A ARG 162.A NE GLN 44.A OE1 no hydrogen 2.706 N/A ARG 162.A NH1 GLN 44.A OE1 no hydrogen 3.389 N/A TRP 167.A N SER 164.A OG no hydrogen 3.081 N/A PHE 168.A N SER 164.A O no hydrogen 3.080 N/A LYS 169.A N LEU 165.A O no hydrogen 2.932 N/A LYS 169.A NZ GLU 39.A OE2 no hydrogen 2.678 N/A LYS 169.A NZ ASN 326.A OD1 no hydrogen 3.005 N/A SER 173.A N ASN 170.A OD1 no hydrogen 3.163 N/A LEU 175.A N ALA 171.A O no hydrogen 3.457 N/A HIS 177.A N SER 173.A O no hydrogen 2.953 N/A HIS 177.A ND1 SER 173.A O no hydrogen 2.539 N/A HIS 178.A N ARG 174.A O no hydrogen 2.880 N/A LEU 179.A N LEU 175.A O no hydrogen 2.927 N/A GLY 181.A N HIS 177.A O no hydrogen 3.070 N/A LEU 182.A N HIS 177.A O no hydrogen 3.230 N/A GLY 184.A N LEU 179.A O no hydrogen 2.644 N/A VAL 185.A N ALA 180.A O no hydrogen 2.981 N/A SER 186.A N GLY 181.A O no hydrogen 3.158 N/A SER 186.A OG GLY 181.A O no hydrogen 3.480 N/A SER 186.A OG LEU 182.A O no hydrogen 3.045 N/A SER 187.A N PHE 183.A O no hydrogen 3.163 N/A SER 187.A OG HIS 277.A O no hydrogen 2.629 N/A LEU 188.A N GLY 184.A O no hydrogen 2.909 N/A ALA 189.A N VAL 185.A O no hydrogen 2.875 N/A TRP 190.A N SER 186.A O no hydrogen 2.910 N/A ALA 191.A N SER 187.A O no hydrogen 2.885 N/A GLY 192.A N LEU 188.A O no hydrogen 2.915 N/A HIS 193.A N ALA 189.A O no hydrogen 2.913 N/A LEU 194.A N TRP 190.A O no hydrogen 2.873 N/A VAL 195.A N ALA 191.A O no hydrogen 2.938 N/A HIS 196.A N GLY 192.A O no hydrogen 2.909 N/A VAL 197.A N HIS 193.A O no hydrogen 2.964 N/A ILE 199.A N LEU 194.A O no hydrogen 3.171 N/A GLU 201.A N VAL 197.A O no hydrogen 2.903 N/A ALA 202.A N ALA 198.A O no hydrogen 2.920 N/A ARG 203.A N PRO 200.A O no hydrogen 2.948 N/A ARG 203.A NH2 ALA 253.A O no hydrogen 2.468 N/A GLN 205.A N PRO 200.A O no hydrogen 2.897 N/A GLY 208.A N ASN 211.A OD1 no hydrogen 2.882 N/A ASN 211.A ND2 HIS 206.A O no hydrogen 3.239 N/A SER 214.A N ASN 211.A O no hydrogen 3.236 N/A SER 214.A OG ASN 211.A O no hydrogen 3.091 N/A THR 215.A N ASN 211.A O no hydrogen 3.072 N/A THR 215.A OG1 ASN 211.A O no hydrogen 3.041 N/A HIS 218.A ND1 THR 252.A O no hydrogen 2.666 N/A PHE 225.A N LEU 222.A O no hydrogen 3.031 N/A PHE 226.A N LEU 222.A O no hydrogen 3.257 N/A THR 227.A N MET 223.A O no hydrogen 2.909 N/A THR 227.A OG1 PRO 224.A O no hydrogen 2.530 N/A THR 227.A OG1 ASN 229.A O no hydrogen 2.904 N/A TRP 230.A NE1 PHE 225.A O no hydrogen 2.856 N/A GLY 231.A N ASN 229.A OD1 no hydrogen 2.957 N/A TYR 233.A N TRP 230.A O no hydrogen 3.143 N/A TYR 233.A OH GLY 221.A O no hydrogen 2.691 N/A ALA 235.A N GLY 231.A O no hydrogen 2.961 N/A ASP 236.A N ASP 236.A OD1 no hydrogen 2.422 N/A THR 239.A N GLY 249.A O no hydrogen 3.060 N/A THR 239.A OG1 GLY 249.A O no hydrogen 2.985 N/A HIS 242.A N THR 239.A O no hydrogen 2.937 N/A ILE 243.A N GLU 248.A O no hydrogen 3.069 N/A PHE 244.A N GLN 264.A OE1 no hydrogen 3.428 N/A THR 246.A N ILE 243.A O no hydrogen 3.411 N/A THR 246.A OG1 ILE 243.A O no hydrogen 3.219 N/A GLY 251.A N ASP 238.A OD1 no hydrogen 3.122 N/A THR 252.A N ASP 236.A O no hydrogen 3.299 N/A THR 252.A OG1 ASP 236.A OD1 no hydrogen 2.536 N/A ILE 254.A N TYR 233.A O no hydrogen 3.404 N/A THR 256.A OG1 THR 271.A OG1 no hydrogen 2.199 N/A THR 256.A OG1 ASP 272.A OD1 no hydrogen 2.510 N/A GLY 259.A N ASP 272.A OD2 no hydrogen 3.130 N/A HIS 262.A N SER 267.A O no hydrogen 2.684 N/A GLN 264.A N HIS 262.A ND1 no hydrogen 3.212 N/A THR 265.A N HIS 262.A ND1 no hydrogen 3.256 N/A THR 265.A OG1 SER 267.A OG no hydrogen 2.452 N/A GLU 266.A N HIS 262.A O no hydrogen 2.712 N/A SER 267.A OG THR 265.A OG1 no hydrogen 2.452 N/A LEU 268.A N PRO 354.A O no hydrogen 2.806 N/A THR 271.A OG1 THR 256.A OG1 no hydrogen 2.199 N/A THR 271.A OG1 ASP 272.A OD1 no hydrogen 3.183 N/A ILE 273.A N TRP 269.A O no hydrogen 3.158 N/A ALA 274.A N LEU 270.A O no hydrogen 2.957 N/A HIS 275.A N THR 271.A O no hydrogen 2.916 N/A HIS 275.A ND1 THR 256.A O no hydrogen 2.846 N/A HIS 276.A N ASP 272.A O no hydrogen 2.870 N/A HIS 277.A N ILE 273.A O no hydrogen 2.940 N/A HIS 277.A ND1 ILE 273.A O no hydrogen 2.759 N/A LEU 278.A N ALA 274.A O no hydrogen 2.927 N/A ALA 279.A N HIS 275.A O no hydrogen 2.931 N/A ILE 280.A N HIS 276.A O no hydrogen 2.936 N/A ALA 281.A N HIS 277.A O no hydrogen 2.827 N/A VAL 282.A N LEU 278.A O no hydrogen 2.988 N/A ILE 283.A N ALA 279.A O no hydrogen 2.964 N/A PHE 284.A N ILE 280.A O no hydrogen 2.864 N/A ILE 285.A N ALA 281.A O no hydrogen 2.895 N/A ILE 286.A N VAL 282.A O no hydrogen 2.943 N/A ALA 287.A N ILE 283.A O no hydrogen 2.919 N/A GLY 288.A N PHE 284.A O no hydrogen 2.930 N/A GLY 288.A N ILE 285.A O no hydrogen 2.961 N/A HIS 289.A N ILE 286.A O no hydrogen 3.150 N/A TYR 291.A N ASN 176.A OD1 no hydrogen 3.231 N/A ARG 292.A N HIS 299.A O no hydrogen 2.747 N/A ARG 292.A NE GLY 298.A O no hydrogen 3.437 N/A ILE 297.A N TRP 295.A O no hydrogen 2.579 N/A HIS 299.A N MET 290.A O no hydrogen 2.667 N/A SER 300.A OG GLU 172.A OE2 no hydrogen 2.984 N/A GLU 303.A N SER 300.A O no hydrogen 2.986 N/A ILE 304.A N SER 300.A O no hydrogen 3.165 N/A LEU 305.A N ILE 301.A O no hydrogen 2.937 N/A ASN 306.A N LYS 302.A O no hydrogen 3.316 N/A ALA 307.A N ILE 304.A O no hydrogen 3.360 N/A HIS 308.A N ILE 304.A O no hydrogen 3.308 N/A HIS 308.A N LEU 305.A O no hydrogen 3.185 N/A LYS 309.A N ALA 307.A O no hydrogen 3.093 N/A ALA 315.A N ASP 403.A O no hydrogen 3.134 N/A GLY 316.A N THR 313.A O no hydrogen 3.308 N/A HIS 317.A N HIS 308.A O no hydrogen 3.315 N/A HIS 317.A ND1 HIS 308.A O no hydrogen 2.563 N/A THR 318.A N ALA 315.A O no hydrogen 3.255 N/A THR 318.A OG1 ALA 315.A O no hydrogen 2.873 N/A ASN 319.A N ASN 306.A OD1 no hydrogen 2.719 N/A LEU 320.A N HIS 317.A O no hydrogen 3.346 N/A THR 323.A N ASN 319.A O no hydrogen 3.011 N/A THR 323.A OG1 ASN 319.A O no hydrogen 2.739 N/A THR 323.A OG1 ASN 401.A OD1 no hydrogen 2.543 N/A ILE 324.A N LEU 320.A O no hydrogen 2.885 N/A ASN 325.A N TYR 321.A O no hydrogen 2.912 N/A ASN 325.A ND2 LYS 169.A O no hydrogen 3.082 N/A ASN 326.A N THR 323.A O no hydrogen 3.398 N/A SER 327.A N ILE 324.A O no hydrogen 3.295 N/A SER 327.A OG ASP 395.A OD2 no hydrogen 3.080 N/A HIS 329.A NE2 GLU 32.A OE1 no hydrogen 2.755 N/A PHE 330.A N SER 327.A OG no hydrogen 3.051 N/A GLN 331.A N SER 327.A O no hydrogen 3.222 N/A GLN 331.A NE2 ILE 324.A O no hydrogen 2.994 N/A LEU 332.A N LEU 328.A O no hydrogen 2.899 N/A GLY 333.A N HIS 329.A O no hydrogen 2.870 N/A LEU 334.A N PHE 330.A O no hydrogen 2.973 N/A ALA 335.A N GLN 331.A O no hydrogen 2.920 N/A LEU 336.A N LEU 332.A O no hydrogen 2.890 N/A ALA 337.A N GLY 333.A O no hydrogen 3.239 N/A SER 338.A N LEU 334.A O no hydrogen 2.993 N/A SER 338.A OG LEU 334.A O no hydrogen 3.381 N/A LEU 339.A N ALA 335.A O no hydrogen 2.898 N/A GLY 340.A N LEU 336.A O no hydrogen 2.873 N/A VAL 341.A N ALA 337.A O no hydrogen 2.967 N/A ILE 342.A N SER 338.A O no hydrogen 2.967 N/A THR 343.A N LEU 339.A O no hydrogen 2.843 N/A THR 343.A OG1 LEU 339.A O no hydrogen 2.425 N/A SER 344.A N GLY 340.A O no hydrogen 2.938 N/A SER 344.A OG GLY 340.A O no hydrogen 3.555 N/A SER 344.A OG GLN 374.A OE1 no hydrogen 2.949 N/A LEU 345.A N VAL 341.A O no hydrogen 2.898 N/A VAL 346.A N ILE 342.A O no hydrogen 2.842 N/A ALA 347.A N THR 343.A O no hydrogen 2.948 N/A GLN 348.A N SER 344.A O no hydrogen 2.866 N/A HIS 349.A N VAL 346.A O no hydrogen 3.229 N/A MET 350.A N VAL 346.A O no hydrogen 2.921 N/A SER 352.A N HIS 349.A O no hydrogen 3.368 N/A LEU 353.A N HIS 349.A O no hydrogen 2.869 N/A ALA 357.A N THR 126.A OG1 no hydrogen 2.834 N/A ILE 359.A N TYR 356.A O no hydrogen 3.463 N/A GLN 361.A NE2 GLN 264.A O no hydrogen 3.555 N/A THR 365.A N ASP 362.A OD1 no hydrogen 3.505 N/A THR 365.A OG1 ASP 362.A O no hydrogen 3.337 N/A ALA 367.A N HIS 363.A O no hydrogen 2.881 N/A ALA 368.A N THR 364.A O no hydrogen 2.907 N/A LEU 369.A N THR 365.A O no hydrogen 2.970 N/A TYR 370.A OH GLN 348.A OE1 no hydrogen 2.583 N/A THR 371.A OG1 ALA 367.A O no hydrogen 3.230 N/A HIS 372.A N ALA 368.A O no hydrogen 2.901 N/A HIS 373.A N LEU 369.A O no hydrogen 2.962 N/A GLN 374.A N TYR 370.A O no hydrogen 2.910 N/A GLN 374.A NE2 TYR 370.A OH no hydrogen 3.085 N/A TYR 375.A N THR 371.A O no hydrogen 2.931 N/A ILE 376.A N HIS 372.A O no hydrogen 2.955 N/A ALA 377.A N HIS 373.A O no hydrogen 2.921 N/A GLY 378.A N GLN 374.A O no hydrogen 2.870 N/A PHE 379.A N TYR 375.A O no hydrogen 2.986 N/A LEU 380.A N ILE 376.A O no hydrogen 2.952 N/A MET 381.A N ALA 377.A O no hydrogen 2.948 N/A GLY 383.A N PHE 379.A O no hydrogen 2.993 N/A ALA 384.A N LEU 380.A O no hydrogen 2.928 N/A PHE 385.A N MET 381.A O no hydrogen 3.029 N/A ALA 386.A N VAL 382.A O no hydrogen 2.884 N/A HIS 387.A N GLY 383.A O no hydrogen 2.952 N/A GLY 388.A N ALA 384.A O no hydrogen 3.338 N/A ALA 389.A N PHE 385.A O no hydrogen 3.025 N/A ILE 390.A N ALA 386.A O no hydrogen 3.305 N/A PHE 391.A N HIS 387.A O no hydrogen 2.883 N/A PHE 392.A N GLY 388.A O no hydrogen 2.975 N/A VAL 393.A N ALA 389.A O no hydrogen 2.930 N/A ARG 394.A N ILE 390.A O no hydrogen 2.857 N/A ARG 394.A NH1 ASP 30.A OD1 no hydrogen 3.397 N/A ARG 394.A NH1 GLU 32.A OE1 no hydrogen 3.182 N/A ARG 394.A NH2 ASP 30.A OD2 no hydrogen 3.440 N/A ASP 395.A N PHE 391.A O no hydrogen 2.820 N/A ASN 401.A N ASP 397.A O no hydrogen 3.113 N/A ASN 401.A ND2 ASP 397.A O no hydrogen 3.196 N/A VAL 405.A N GLY 316.A O no hydrogen 2.843 N/A ALA 407.A N ASN 404.A OD1 no hydrogen 2.907 N/A ARG 408.A N ASN 404.A O no hydrogen 3.236 N/A ARG 408.A NE ASP 403.A O no hydrogen 3.517 N/A MET 409.A N LEU 406.A O no hydrogen 3.233 N/A GLU 411.A N ALA 407.A O no hydrogen 2.938 N/A HIS 412.A N ARG 408.A O no hydrogen 3.171 N/A HIS 412.A ND1 ARG 408.A O no hydrogen 2.340 N/A LYS 413.A NZ ASP 537.A OD1 no hydrogen 3.292 N/A LYS 413.A NZ GLY 540.A O no hydrogen 3.452 N/A GLU 414.A N GLU 414.A OE1 no hydrogen 2.764 N/A LEU 416.A N HIS 412.A O no hydrogen 3.279 N/A ILE 417.A N LYS 413.A O no hydrogen 2.968 N/A SER 418.A N GLU 414.A O no hydrogen 2.878 N/A HIS 419.A N ALA 415.A O no hydrogen 2.925 N/A HIS 419.A ND1 ALA 415.A O no hydrogen 2.699 N/A LEU 420.A N LEU 416.A O no hydrogen 2.969 N/A SER 421.A N ILE 417.A O no hydrogen 2.936 N/A SER 421.A OG ILE 417.A O no hydrogen 3.139 N/A TRP 422.A N SER 418.A O no hydrogen 2.907 N/A VAL 423.A N HIS 419.A O no hydrogen 2.927 N/A SER 424.A N LEU 420.A O no hydrogen 2.956 N/A SER 424.A OG LEU 420.A O no hydrogen 3.265 N/A SER 424.A OG THR 526.A OG1 no hydrogen 3.084 N/A LEU 425.A N SER 421.A O no hydrogen 2.923 N/A PHE 426.A N TRP 422.A O no hydrogen 2.863 N/A LEU 427.A N VAL 423.A O no hydrogen 2.908 N/A GLY 428.A N SER 424.A O no hydrogen 2.916 N/A PHE 429.A N LEU 425.A O no hydrogen 2.925 N/A HIS 430.A ND1 PHE 426.A O no hydrogen 2.413 N/A THR 431.A N LEU 427.A O no hydrogen 2.933 N/A THR 431.A OG1 LEU 427.A O no hydrogen 3.015 N/A LEU 432.A N GLY 428.A O no hydrogen 2.942 N/A GLY 433.A N PHE 429.A O no hydrogen 2.873 N/A LEU 434.A N HIS 430.A O no hydrogen 2.835 N/A TYR 435.A N THR 431.A O no hydrogen 2.978 N/A VAL 436.A N LEU 432.A O no hydrogen 2.900 N/A HIS 437.A N GLY 433.A O no hydrogen 2.819 N/A ASN 438.A N LEU 434.A O no hydrogen 2.872 N/A ASN 438.A ND2 THR 611.A O no hydrogen 2.856 N/A ASP 439.A N TYR 435.A O no hydrogen 2.972 N/A VAL 440.A N VAL 436.A O no hydrogen 2.882 N/A VAL 441.A N HIS 437.A O no hydrogen 2.868 N/A VAL 442.A N ASN 438.A O no hydrogen 2.900 N/A ALA 443.A N ASP 439.A O no hydrogen 2.923 N/A GLY 445.A N VAL 442.A O no hydrogen 3.227 N/A THR 446.A OG1 VAL 441.A O no hydrogen 2.827 N/A GLN 450.A NE2 PRO 447.A O no hydrogen 3.685 N/A GLN 459.A N PRO 455.A O no hydrogen 3.216 N/A GLN 459.A NE2 GLU 454.A OE2 no hydrogen 3.213 N/A GLN 459.A NE2 ILE 509.A O no hydrogen 2.853 N/A TRP 460.A N VAL 456.A O no hydrogen 2.884 N/A GLN 462.A N ALA 458.A O no hydrogen 2.921 N/A GLN 462.A NE2 LEU 507.A O no hydrogen 3.216 N/A ALA 463.A N GLN 459.A O no hydrogen 2.903 N/A THR 464.A N TRP 460.A O no hydrogen 2.905 N/A THR 464.A OG1 ILE 461.A O no hydrogen 2.241 N/A SER 465.A N GLN 462.A O no hydrogen 3.160 N/A GLY 466.A N ALA 463.A O no hydrogen 3.316 N/A LYS 467.A N GLN 462.A O no hydrogen 3.195 N/A LYS 467.A NZ GLN 462.A OE1 no hydrogen 3.472 N/A LYS 467.A NZ PHE 506.A O no hydrogen 3.326 N/A LYS 467.A NZ THR 508.A OG1 no hydrogen 3.158 N/A ALA 468.A N ASN 499.A OD1 no hydrogen 2.845 N/A TYR 470.A OH GLN 462.A OE1 no hydrogen 3.279 N/A VAL 474.A N SER 477.A OG no hydrogen 2.541 N/A SER 477.A N VAL 474.A O no hydrogen 3.157 N/A SER 477.A OG ALA 463.A O no hydrogen 3.059 N/A SER 477.A OG VAL 474.A O no hydrogen 2.545 N/A ASN 478.A N LEU 475.A O no hydrogen 3.027 N/A ASN 478.A ND2 ASP 473.A O no hydrogen 3.258 N/A ASP 480.A N ASN 478.A OD1 no hydrogen 2.968 N/A SER 481.A N ASN 478.A O no hydrogen 3.404 N/A ALA 483.A N SER 481.A OG no hydrogen 3.326 N/A SER 484.A N SER 481.A O no hydrogen 3.236 N/A SER 484.A OG PRO 479.A O no hydrogen 3.313 N/A SER 484.A OG SER 481.A O no hydrogen 2.877 N/A TRP 494.A N TRP 490.A O no hydrogen 3.022 N/A TRP 494.A NE1 SER 465.A O no hydrogen 2.722 N/A LEU 495.A N LEU 491.A O no hydrogen 2.936 N/A ASP 496.A N PRO 492.A O no hydrogen 3.286 N/A ALA 497.A N GLY 493.A O no hydrogen 2.909 N/A ILE 498.A N TRP 494.A O no hydrogen 2.952 N/A ASN 499.A ND2 GLY 466.A O no hydrogen 2.430 N/A ASN 499.A ND2 LEU 495.A O no hydrogen 3.681 N/A SER 500.A OG ALA 497.A O no hydrogen 3.336 N/A ASN 503.A ND2 ALA 497.A O no hydrogen 2.415 N/A ILE 509.A N TYR 470.A OH no hydrogen 3.343 N/A GLY 510.A N ASP 513.A OD1 no hydrogen 2.788 N/A PHE 514.A N GLY 510.A O no hydrogen 3.130 N/A LEU 515.A N PRO 511.A O no hydrogen 2.923 N/A VAL 516.A N GLY 512.A O no hydrogen 2.937 N/A HIS 517.A N ASP 513.A O no hydrogen 2.843 N/A HIS 517.A ND1 ASP 513.A O no hydrogen 2.690 N/A HIS 518.A N PHE 514.A O no hydrogen 2.986 N/A HIS 518.A ND1 PHE 514.A O no hydrogen 2.950 N/A ALA 519.A N LEU 515.A O no hydrogen 2.956 N/A ILE 520.A N VAL 516.A O no hydrogen 2.879 N/A ALA 521.A N HIS 517.A O no hydrogen 2.845 N/A LEU 522.A N HIS 518.A O no hydrogen 2.934 N/A GLY 523.A N ALA 519.A O no hydrogen 2.928 N/A LEU 524.A N ILE 520.A O no hydrogen 2.909 N/A HIS 525.A N ALA 521.A O no hydrogen 2.895 N/A HIS 525.A ND1 ALA 521.A O no hydrogen 2.555 N/A THR 526.A N LEU 522.A O no hydrogen 2.938 N/A THR 526.A OG1 SER 424.A OG no hydrogen 3.084 N/A THR 526.A OG1 LEU 522.A O no hydrogen 3.052 N/A THR 527.A N GLY 523.A O no hydrogen 3.400 N/A THR 527.A OG1 GLY 523.A O no hydrogen 2.437 N/A ALA 528.A N LEU 524.A O no hydrogen 2.922 N/A LEU 529.A N HIS 525.A O no hydrogen 2.838 N/A ILE 530.A N THR 526.A O no hydrogen 2.939 N/A LEU 531.A N THR 527.A O no hydrogen 2.959 N/A ILE 532.A N ALA 528.A O no hydrogen 2.846 N/A ILE 532.A N LEU 529.A O no hydrogen 3.269 N/A LYS 533.A N LEU 529.A O no hydrogen 2.882 N/A LYS 533.A NZ LYS 533.A O no hydrogen 3.432 N/A LYS 533.A NZ ASP 537.A OD2 no hydrogen 3.530 N/A GLY 534.A N ILE 530.A O no hydrogen 2.949 N/A LEU 536.A N ILE 532.A O no hydrogen 2.879 N/A ASP 537.A N LYS 533.A O no hydrogen 3.095 N/A MET 544.A N SER 541.A OG no hydrogen 3.130 N/A LYS 547.A N MET 544.A O no hydrogen 3.259 N/A LYS 547.A NZ ASP 537.A O no hydrogen 2.374 N/A LYS 547.A NZ ILE 567.A O no hydrogen 3.318 N/A LYS 548.A N ARG 539.A O no hydrogen 2.778 N/A ASP 549.A N ASP 546.A O no hydrogen 3.045 N/A PHE 550.A N LYS 547.A O no hydrogen 3.153 N/A ASP 557.A N THR 564.A OG1 no hydrogen 3.149 N/A ARG 561.A NE LEU 543.A O no hydrogen 3.239 N/A ARG 561.A NH1 ASP 557.A OD2 no hydrogen 2.910 N/A ARG 561.A NH2 ASP 557.A OD2 no hydrogen 2.691 N/A GLY 563.A N GLY 560.A O no hydrogen 2.988 N/A THR 564.A OG1 GLY 558.A O no hydrogen 2.299 N/A SER 568.A N ASP 571.A OD2 no hydrogen 2.862 N/A SER 568.A OG PHE 554.A O no hydrogen 3.397 N/A SER 568.A OG ASP 571.A OD2 no hydrogen 2.637 N/A ASP 571.A N SER 568.A OG no hydrogen 3.228 N/A TYR 574.A N TRP 570.A O no hydrogen 2.933 N/A LEU 575.A N ASP 571.A O no hydrogen 2.890 N/A ALA 576.A N ALA 572.A O no hydrogen 2.895 N/A MET 577.A N PHE 573.A O no hydrogen 2.966 N/A PHE 578.A N LEU 575.A O no hydrogen 3.204 N/A MET 580.A N ALA 576.A O no hydrogen 2.926 N/A LEU 581.A N MET 577.A O no hydrogen 2.953 N/A ASN 582.A N PHE 578.A O no hydrogen 2.906 N/A THR 583.A N TRP 579.A O no hydrogen 2.898 N/A THR 583.A OG1 GLY 523.A O no hydrogen 3.235 N/A THR 583.A OG1 TRP 579.A O no hydrogen 2.785 N/A LEU 584.A N MET 580.A O no hydrogen 2.913 N/A GLY 585.A N LEU 581.A O no hydrogen 2.878 N/A GLY 585.A N ASN 582.A O no hydrogen 3.142 N/A TRP 586.A N ASN 582.A O no hydrogen 2.943 N/A LEU 587.A N THR 583.A O no hydrogen 2.912 N/A THR 588.A OG1 LEU 584.A O no hydrogen 2.600 N/A THR 588.A OG1 GLY 585.A O no hydrogen 2.842 N/A PHE 589.A N GLY 585.A O no hydrogen 2.919 N/A TYR 590.A N TRP 586.A O no hydrogen 2.965 N/A TYR 590.A OH ASP 513.A OD2 no hydrogen 2.581 N/A TRP 591.A N LEU 587.A O no hydrogen 2.942 N/A HIS 592.A N THR 588.A O no hydrogen 2.902 N/A HIS 592.A ND1 TYR 620.A OH no hydrogen 3.226 N/A TRP 593.A N PHE 589.A O no hydrogen 2.948 N/A LYS 594.A N TYR 590.A O no hydrogen 3.006 N/A LYS 594.A NZ THR 508.A O no hydrogen 2.940 N/A HIS 595.A N TRP 591.A O no hydrogen 2.900 N/A LEU 596.A N HIS 592.A O no hydrogen 2.880 N/A GLY 597.A N TRP 593.A O no hydrogen 2.995 N/A VAL 598.A N LYS 594.A O no hydrogen 2.931 N/A TRP 599.A N HIS 595.A O no hydrogen 2.820 N/A SER 600.A N LEU 596.A O no hydrogen 2.934 N/A SER 600.A OG LEU 596.A O no hydrogen 2.796 N/A GLY 601.A N VAL 598.A O no hydrogen 3.299 N/A GLN 605.A N ASN 602.A O no hydrogen 3.185 N/A GLN 605.A N ASN 602.A OD1 no hydrogen 3.190 N/A ASN 607.A N VAL 603.A O no hydrogen 2.925 N/A GLU 608.A N GLN 605.A O no hydrogen 3.378 N/A ASN 609.A N PHE 606.A O no hydrogen 3.366 N/A ASN 609.A ND2 GLN 605.A O no hydrogen 2.567 N/A SER 610.A N PHE 606.A O no hydrogen 3.098 N/A SER 610.A OG PHE 606.A O no hydrogen 2.607 N/A THR 611.A OG1 GLN 450.A OE1 no hydrogen 2.951 N/A LEU 613.A N ASP 439.A OD2 no hydrogen 3.170 N/A MET 614.A N ASP 439.A OD1 no hydrogen 3.125 N/A GLY 615.A N TYR 612.A O no hydrogen 3.062 N/A TRP 616.A NE1 SER 610.A O no hydrogen 3.109 N/A PHE 617.A N LEU 613.A O no hydrogen 2.912 N/A ARG 618.A N MET 614.A O no hydrogen 2.894 N/A ARG 618.A NE ASP 619.A OD1 no hydrogen 2.502 N/A TYR 620.A OH HIS 592.A ND1 no hydrogen 3.226 N/A LEU 621.A N TRP 616.A O no hydrogen 3.080 N/A TRP 622.A N PHE 617.A O no hydrogen 3.345 N/A ALA 623.A N ARG 618.A O no hydrogen 2.783 N/A ASN 624.A N TYR 620.A O no hydrogen 3.235 N/A SER 625.A OG LEU 621.A O no hydrogen 2.266 N/A ILE 629.A N SER 625.A O no hydrogen 2.953 N/A ASN 630.A N GLN 627.A O no hydrogen 2.927 N/A ASN 630.A ND2 ALA 626.A O no hydrogen 2.221 N/A ASN 633.A N GLY 636.A O no hydrogen 2.958 N/A ASN 633.A ND2 ASN 630.A O no hydrogen 3.412 N/A ASN 633.A ND2 ASN 630.A OD1 no hydrogen 3.152 N/A ASN 638.A N GLY 631.A O no hydrogen 3.181 N/A ASN 638.A ND2 ASN 630.A O no hydrogen 2.940 N/A ASN 639.A ND2 GLN 106.A OE1 no hydrogen 3.134 N/A LEU 640.A N ASN 638.A OD1 no hydrogen 3.178 N/A SER 641.A N ASN 638.A O no hydrogen 3.172 N/A ALA 644.A N LEU 640.A O no hydrogen 2.769 N/A TRP 645.A N SER 641.A O no hydrogen 2.896 N/A MET 646.A N VAL 642.A O no hydrogen 2.904 N/A PHE 647.A N TRP 643.A O no hydrogen 2.922 N/A PHE 649.A N TRP 645.A O no hydrogen 2.941 N/A GLY 650.A N MET 646.A O no hydrogen 2.850 N/A HIS 651.A N PHE 647.A O no hydrogen 3.004 N/A HIS 651.A ND1 PHE 647.A O no hydrogen 3.166 N/A LEU 652.A N LEU 648.A O no hydrogen 2.882 N/A VAL 653.A N PHE 649.A O no hydrogen 2.982 N/A TRP 654.A N GLY 650.A O no hydrogen 2.916 N/A ALA 655.A N HIS 651.A O no hydrogen 2.928 N/A THR 656.A N LEU 652.A O no hydrogen 2.870 N/A THR 656.A OG1 LEU 652.A O no hydrogen 2.567 N/A GLY 657.A N VAL 653.A O no hydrogen 3.045 N/A PHE 658.A N ALA 655.A O no hydrogen 3.211 N/A MET 659.A N THR 656.A O no hydrogen 3.149 N/A LEU 661.A N GLY 657.A O no hydrogen 3.012 N/A ILE 662.A N PHE 658.A O no hydrogen 2.893 N/A SER 663.A N MET 659.A O no hydrogen 3.208 N/A SER 663.A OG MET 659.A O no hydrogen 2.693 N/A ARG 665.A NE ALA 696.A O no hydrogen 3.133 N/A ARG 665.A NH2 ALA 696.A O no hydrogen 3.113 N/A TRP 668.A NE1 SER 663.A OG no hydrogen 2.971 N/A GLN 669.A N ARG 665.A O no hydrogen 2.938 N/A GLU 670.A N GLY 666.A O no hydrogen 2.966 N/A LEU 671.A N TYR 667.A O no hydrogen 2.936 N/A ILE 672.A N TRP 668.A O no hydrogen 2.843 N/A GLU 673.A N GLN 669.A O no hydrogen 2.918 N/A THR 674.A N GLU 670.A O no hydrogen 3.023 N/A THR 674.A OG1 GLU 670.A O no hydrogen 3.508 N/A THR 674.A OG1 LEU 671.A O no hydrogen 2.431 N/A VAL 676.A N ILE 672.A O no hydrogen 2.876 N/A TRP 677.A N GLU 673.A O no hydrogen 2.979 N/A ALA 678.A N THR 674.A O no hydrogen 2.915 N/A HIS 679.A N ILE 675.A O no hydrogen 2.903 N/A HIS 679.A NE2 VAL 688.A O no hydrogen 3.151 N/A GLU 680.A N VAL 676.A O no hydrogen 2.950 N/A THR 682.A N HIS 679.A O no hydrogen 3.158 N/A THR 682.A OG1 ALA 678.A O no hydrogen 2.375 N/A ASN 686.A N THR 682.A O no hydrogen 3.079 N/A VAL 688.A N ALA 685.A O no hydrogen 2.794 N/A VAL 695.A N THR 18.A OG1 no hydrogen 3.305 N/A ALA 696.A N GLN 669.A OE1 no hydrogen 2.924 N/A SER 698.A OG TYR 23.A OH no hydrogen 2.840 N/A GLN 701.A N SER 698.A OG no hydrogen 3.395 N/A ALA 702.A N SER 698.A O no hydrogen 2.673 N/A ARG 703.A N ILE 699.A O no hydrogen 2.947 N/A LEU 704.A N VAL 700.A O no hydrogen 2.920 N/A VAL 705.A N GLN 701.A O no hydrogen 2.856 N/A GLY 706.A N ALA 702.A O no hydrogen 2.932 N/A LEU 707.A N ARG 703.A O no hydrogen 2.898 N/A ALA 708.A N LEU 704.A O no hydrogen 2.875 N/A HIS 709.A N VAL 705.A O no hydrogen 2.928 N/A PHE 710.A N GLY 706.A O no hydrogen 2.908 N/A THR 711.A N LEU 707.A O no hydrogen 2.867 N/A THR 711.A OG1 LEU 707.A O no hydrogen 2.451 N/A VAL 712.A N ALA 708.A O no hydrogen 2.905 N/A GLY 713.A N HIS 709.A O no hydrogen 2.925 N/A TYR 714.A N THR 711.A O no hydrogen 3.198 N/A VAL 715.A N THR 711.A O no hydrogen 2.899 N/A LEU 716.A N VAL 712.A O no hydrogen 2.908 N/A THR 717.A OG1 GLY 713.A O no hydrogen 2.301 N/A ALA 719.A N VAL 715.A O no hydrogen 2.894 N/A ALA 720.A N LEU 716.A O no hydrogen 2.884 N/A PHE 721.A N THR 717.A O no hydrogen 2.980 N/A LEU 722.A N TYR 718.A O no hydrogen 2.819 N/A ILE 723.A N ALA 719.A O no hydrogen 2.923 N/A SER 725.A N PHE 721.A O no hydrogen 2.909 N/A SER 725.A OG PHE 721.A O no hydrogen 2.519 N/A THR 726.A OG1 HIS 592.A NE2 no hydrogen 3.128 N/A THR 726.A OG1 LEU 722.A O no hydrogen 2.288 N/A ALA 727.A N ILE 723.A O no hydrogen 2.927 N/A LYS 729.A NZ SER 725.A O no hydrogen 3.257 N/A GLY 731.A N THR 726.A O no hydrogen 3.197 N/A