Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1de4_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N TYR 2.A O no hydrogen 2.883 N/A LEU 6.A N TYR 2.A O no hydrogen 3.032 N/A LYS 7.A N TRP 3.A O no hydrogen 2.641 N/A ARG 8.A N ASP 4.A O no hydrogen 3.202 N/A ARG 8.A NH2 ASP 5.A OD1 no hydrogen 2.934 N/A LYS 9.A N ASP 5.A O no hydrogen 2.865 N/A LYS 9.A NZ ASP 319.A OD1 no hydrogen 3.220 N/A LEU 10.A N LEU 6.A O no hydrogen 2.864 N/A SER 11.A N LYS 7.A O no hydrogen 2.940 N/A GLU 12.A N ARG 8.A O no hydrogen 2.880 N/A LYS 13.A N LYS 9.A O no hydrogen 2.933 N/A LEU 14.A N LEU 10.A O no hydrogen 2.881 N/A ASP 15.A N SER 11.A O no hydrogen 3.045 N/A SER 16.A N GLU 12.A O no hydrogen 3.309 N/A SER 16.A N LYS 13.A O no hydrogen 3.348 N/A SER 16.A OG LYS 13.A O no hydrogen 3.120 N/A THR 17.A N LEU 14.A O no hydrogen 2.771 N/A THR 17.A OG1 LYS 13.A O no hydrogen 2.820 N/A PHE 19.A N ASN 463.A OD1 no hydrogen 2.734 N/A THR 20.A N ASN 463.A OD1 no hydrogen 2.944 N/A SER 21.A N ASP 18.A OD1 no hydrogen 2.629 N/A SER 21.A OG ASP 18.A OD1 no hydrogen 2.667 N/A THR 22.A OG1 ASP 18.A O no hydrogen 3.339 N/A ILE 23.A N PHE 19.A O no hydrogen 2.892 N/A LYS 24.A N THR 20.A O no hydrogen 2.998 N/A LEU 25.A N SER 21.A O no hydrogen 2.802 N/A LEU 26.A N THR 22.A O no hydrogen 2.909 N/A LEU 26.A N ILE 23.A O no hydrogen 3.141 N/A ASN 27.A N LYS 24.A O no hydrogen 3.007 N/A TYR 31.A N GLU 28.A O no hydrogen 2.709 N/A ARG 34.A NH1 ARG 288.A O no hydrogen 3.144 N/A ARG 34.A NH2 LEU 26.A O no hydrogen 2.738 N/A GLY 37.A N ASP 41.A OD1 no hydrogen 2.985 N/A SER 38.A N GLU 35.A O no hydrogen 2.838 N/A SER 38.A OG GLU 35.A O no hydrogen 2.722 N/A LYS 40.A NZ ASN 29.A O no hydrogen 2.517 N/A ASP 41.A N SER 38.A OG no hydrogen 3.193 N/A GLU 42.A N SER 38.A O no hydrogen 2.968 N/A ASN 43.A N GLN 39.A O no hydrogen 2.643 N/A LEU 44.A N LYS 40.A O no hydrogen 3.028 N/A ALA 45.A N ASP 41.A O no hydrogen 2.934 N/A LEU 46.A N GLU 42.A O no hydrogen 2.996 N/A TYR 47.A N ASN 43.A O no hydrogen 2.919 N/A VAL 48.A N LEU 44.A O no hydrogen 3.026 N/A GLU 49.A N ALA 45.A O no hydrogen 2.831 N/A ASN 50.A N LEU 46.A O no hydrogen 2.955 N/A ASN 50.A N TYR 47.A O no hydrogen 3.243 N/A GLN 51.A N TYR 47.A O no hydrogen 2.967 N/A PHE 52.A N VAL 48.A O no hydrogen 2.958 N/A ARG 53.A N GLU 49.A O no hydrogen 3.374 N/A GLU 54.A N ASN 50.A O no hydrogen 2.826 N/A PHE 55.A N GLN 51.A O no hydrogen 2.871 N/A LYS 56.A N ARG 53.A O no hydrogen 2.730 N/A LYS 59.A N VAL 271.A O no hydrogen 3.382 N/A TRP 61.A N PHE 269.A O no hydrogen 3.159 N/A ARG 62.A NH1 GLU 49.A OE1 no hydrogen 2.702 N/A ASP 63.A N ASN 267.A O no hydrogen 2.884 N/A HIS 65.A N ILE 265.A O no hydrogen 2.948 N/A HIS 65.A ND1 SER 194.A O no hydrogen 2.975 N/A VAL 67.A N ILE 263.A O no hydrogen 3.005 N/A LYS 68.A N ASP 186.A OD2 no hydrogen 3.122 N/A ILE 69.A N LYS 261.A O no hydrogen 3.010 N/A GLN 70.A NE2 VAL 99.A O no hydrogen 3.125 N/A VAL 71.A N VAL 259.A O no hydrogen 2.869 N/A LYS 72.A NZ GLY 96.A O no hydrogen 2.442 N/A SER 74.A OG ASP 73.A OD1 no hydrogen 3.533 N/A ALA 75.A N ASP 73.A OD2 no hydrogen 2.958 N/A SER 78.A N THR 255.A O no hydrogen 2.786 N/A VAL 79.A N GLU 93.A O no hydrogen 2.980 N/A ILE 80.A N LYS 253.A O no hydrogen 3.064 N/A VAL 82.A N ASN 251.A O no hydrogen 2.679 N/A ASP 83.A N LEU 88.A O no hydrogen 2.686 N/A LYS 84.A N SER 249.A O no hydrogen 3.165 N/A LEU 88.A N ASP 83.A O no hydrogen 3.311 N/A TYR 90.A N ILE 81.A O no hydrogen 2.913 N/A VAL 92.A N VAL 79.A O no hydrogen 2.804 N/A GLU 93.A N VAL 79.A O no hydrogen 3.237 N/A TYR 98.A OH GLN 70.A O no hydrogen 2.429 N/A ALA 100.A N GLY 178.A O no hydrogen 2.779 N/A TYR 101.A OH LYS 68.A O no hydrogen 2.839 N/A SER 102.A N VAL 99.A O no hydrogen 3.322 N/A SER 102.A OG LYS 103.A O no hydrogen 2.991 N/A SER 102.A OG VAL 213.A O no hydrogen 3.523 N/A LYS 103.A N ILE 211.A O no hydrogen 3.249 N/A ALA 105.A N VAL 256.A O no hydrogen 2.956 N/A VAL 107.A N LEU 254.A O no hydrogen 2.712 N/A GLY 109.A N VAL 252.A O no hydrogen 2.859 N/A VAL 112.A N ILE 133.A O no hydrogen 2.886 N/A HIS 113.A NE2 TYR 161.A OH no hydrogen 3.089 N/A ALA 114.A N ILE 135.A O no hydrogen 3.188 N/A THR 118.A N ASN 115.A O no hydrogen 3.366 N/A PHE 122.A N THR 118.A O no hydrogen 3.109 N/A GLU 123.A N LYS 119.A O no hydrogen 3.235 N/A ASP 124.A N LYS 120.A O no hydrogen 2.838 N/A LEU 125.A N PHE 122.A O no hydrogen 3.128 N/A GLY 131.A N ASN 154.A O no hydrogen 3.032 N/A SER 132.A N VAL 129.A O no hydrogen 2.921 N/A SER 132.A OG VAL 129.A O no hydrogen 2.904 N/A ILE 133.A N LYS 110.A O no hydrogen 2.911 N/A VAL 134.A N GLY 157.A O no hydrogen 3.284 N/A ILE 135.A N VAL 112.A O no hydrogen 2.939 N/A VAL 136.A N LEU 159.A O no hydrogen 2.826 N/A ARG 137.A NH1 ASP 163.A OD2 no hydrogen 2.716 N/A ARG 137.A NH2 TRP 236.A O no hydrogen 3.017 N/A ALA 138.A N TYR 161.A O no hydrogen 2.924 N/A ILE 141.A N GLY 139.A O no hydrogen 2.421 N/A THR 142.A N GLU 145.A OE1 no hydrogen 2.495 N/A THR 142.A OG1 GLU 145.A OE1 no hydrogen 3.024 N/A LYS 146.A N THR 142.A O no hydrogen 2.939 N/A LYS 146.A NZ PHE 116.A O no hydrogen 2.588 N/A LYS 146.A NZ ARG 137.A O no hydrogen 2.540 N/A LYS 146.A NZ GLY 139.A O no hydrogen 2.896 N/A VAL 147.A N PHE 143.A O no hydrogen 2.752 N/A ALA 148.A N ALA 144.A O no hydrogen 2.805 N/A ASN 149.A N GLU 145.A O no hydrogen 2.774 N/A ASN 149.A ND2 GLY 117.A O no hydrogen 3.038 N/A ALA 150.A N LYS 146.A O no hydrogen 2.893 N/A GLU 151.A N VAL 147.A O no hydrogen 2.975 N/A SER 152.A N ALA 148.A O no hydrogen 3.171 N/A SER 152.A OG ALA 148.A O no hydrogen 3.524 N/A SER 152.A OG ASN 149.A O no hydrogen 2.731 N/A LEU 153.A N ALA 150.A O no hydrogen 2.891 N/A ASN 154.A N GLU 151.A O no hydrogen 3.059 N/A ALA 155.A N ALA 150.A O no hydrogen 3.100 N/A ILE 156.A N SER 132.A O no hydrogen 2.782 N/A VAL 158.A N PRO 212.A O no hydrogen 2.997 N/A LEU 159.A N VAL 134.A O no hydrogen 2.762 N/A ILE 160.A N GLN 214.A O no hydrogen 2.876 N/A TYR 161.A N VAL 136.A O no hydrogen 3.039 N/A TYR 161.A OH HIS 113.A NE2 no hydrogen 3.089 N/A GLN 164.A N ASP 239.A OD2 no hydrogen 3.433 N/A THR 165.A N ASP 239.A OD1 no hydrogen 3.021 N/A THR 165.A OG1 ASP 239.A OD1 no hydrogen 3.420 N/A LYS 166.A N ASP 163.A OD2 no hydrogen 3.074 N/A PHE 167.A N ASP 163.A O no hydrogen 2.918 N/A ILE 169.A N PHE 167.A O no hydrogen 2.724 N/A GLU 173.A N ASN 171.A OD1 no hydrogen 2.828 N/A PHE 177.A N GLY 446.A O no hydrogen 2.823 N/A GLY 178.A N TYR 98.A O no hydrogen 3.340 N/A ALA 180.A N ALA 100.A O no hydrogen 2.866 N/A HIS 181.A N HIS 179.A ND1 no hydrogen 2.949 N/A LEU 182.A N GLY 207.A O no hydrogen 2.841 N/A GLY 183.A N HIS 181.A O no hydrogen 2.733 N/A THR 184.A OG1 THR 343.A OG1 no hydrogen 3.062 N/A GLY 185.A N GLY 338.A O no hydrogen 2.870 N/A ASP 186.A N GLU 344.A OE1 no hydrogen 2.935 N/A TYR 188.A N ASP 186.A OD1 no hydrogen 2.641 N/A THR 189.A N ASP 186.A O no hydrogen 3.137 N/A THR 189.A OG1 ASP 186.A O no hydrogen 3.439 N/A THR 189.A OG1 SER 194.A OG no hydrogen 2.637 N/A THR 189.A OG1 GLU 344.A OE1 no hydrogen 3.403 N/A PHE 192.A N THR 189.A O no hydrogen 3.165 N/A SER 194.A N GLU 344.A OE2 no hydrogen 2.722 N/A SER 194.A OG ASP 186.A OD2 no hydrogen 2.971 N/A SER 194.A OG THR 189.A OG1 no hydrogen 2.637 N/A PHE 195.A N PRO 193.A O no hydrogen 2.865 N/A THR 198.A N PHE 195.A O no hydrogen 2.771 N/A GLN 199.A N ASN 196.A O no hydrogen 2.850 N/A ARG 204.A NH2 ASN 210.A OD1 no hydrogen 3.466 N/A SER 205.A N PRO 187.A O no hydrogen 2.878 N/A GLY 207.A N SER 205.A OG no hydrogen 2.995 N/A LEU 208.A N SER 205.A O no hydrogen 3.080 N/A ASN 210.A N GLU 151.A OE1 no hydrogen 3.046 N/A ASN 210.A N GLU 151.A OE2 no hydrogen 2.978 N/A ASN 210.A ND2 GLU 151.A OE1 no hydrogen 2.832 N/A VAL 213.A N SER 102.A OG no hydrogen 2.987 N/A GLN 214.A N VAL 158.A O no hydrogen 2.941 N/A GLN 214.A NE2 GLY 97.A O no hydrogen 2.989 N/A GLN 214.A NE2 THR 215.A O no hydrogen 2.901 N/A THR 215.A OG1 PHE 176.A O no hydrogen 3.362 N/A ILE 216.A N ILE 160.A O no hydrogen 2.883 N/A SER 217.A N GLU 93.A OE1 no hydrogen 2.977 N/A SER 217.A OG GLU 93.A OE2 no hydrogen 2.545 N/A ALA 219.A N ALA 172.A O no hydrogen 2.985 N/A ALA 220.A N SER 217.A OG no hydrogen 3.058 N/A ALA 221.A N SER 217.A O no hydrogen 3.112 N/A GLU 222.A N ARG 218.A O no hydrogen 2.869 N/A LYS 223.A N ALA 219.A O no hydrogen 2.879 N/A LEU 224.A N ALA 220.A O no hydrogen 2.894 N/A PHE 225.A N ALA 221.A O no hydrogen 2.851 N/A GLY 226.A N GLU 222.A O no hydrogen 3.007 N/A GLY 226.A N LYS 223.A O no hydrogen 3.214 N/A ASN 227.A N LEU 224.A O no hydrogen 3.005 N/A ASN 227.A ND2 LYS 223.A O no hydrogen 2.921 N/A MET 228.A N PHE 225.A O no hydrogen 3.214 N/A GLU 229.A N VAL 245.A O no hydrogen 2.983 N/A TRP 236.A N PRO 233.A O no hydrogen 2.990 N/A LYS 237.A N SER 234.A O no hydrogen 2.875 N/A THR 241.A OG1 GLU 222.A OE2 no hydrogen 3.410 N/A MET 244.A N GLY 230.A O no hydrogen 3.357 N/A THR 246.A OG1 LYS 250.A O no hydrogen 3.184 N/A SER 247.A N ASN 227.A O no hydrogen 2.956 N/A SER 247.A OG ASN 227.A O no hydrogen 3.498 N/A LYS 250.A N SER 247.A O no hydrogen 2.583 N/A ASN 251.A N VAL 82.A O no hydrogen 3.266 N/A VAL 252.A N GLY 109.A O no hydrogen 2.959 N/A LYS 253.A N ILE 80.A O no hydrogen 2.672 N/A LEU 254.A N VAL 107.A O no hydrogen 2.629 N/A THR 255.A N SER 78.A O no hydrogen 2.858 N/A VAL 256.A N ALA 105.A O no hydrogen 2.871 N/A SER 257.A OG ASP 73.A OD2 no hydrogen 3.546 N/A ASN 258.A ND2 ASN 77.A OD1 no hydrogen 2.873 N/A VAL 259.A N VAL 71.A O no hydrogen 2.753 N/A LYS 261.A N ILE 69.A O no hydrogen 2.878 N/A ILE 263.A N VAL 67.A O no hydrogen 2.817 N/A LYS 264.A NZ GLU 42.A OE2 no hydrogen 2.861 N/A ILE 265.A N HIS 65.A O no hydrogen 2.636 N/A ASN 267.A N ASP 63.A O no hydrogen 2.999 N/A ASN 267.A ND2 GLY 341.A O no hydrogen 3.206 N/A ILE 268.A N SER 331.A O no hydrogen 3.097 N/A PHE 269.A N TRP 61.A O no hydrogen 2.744 N/A GLY 270.A N PHE 329.A O no hydrogen 2.736 N/A VAL 271.A N LYS 59.A O no hydrogen 2.864 N/A ILE 272.A N ILE 327.A O no hydrogen 2.837 N/A LYS 273.A N SER 58.A OG no hydrogen 2.657 N/A GLY 274.A N SER 326.A OG no hydrogen 3.057 N/A PHE 275.A N PRO 323.A O no hydrogen 2.625 N/A VAL 276.A N SER 324.A O no hydrogen 3.026 N/A GLU 277.A N SER 324.A O no hydrogen 2.741 N/A HIS 280.A N GLU 277.A O no hydrogen 3.379 N/A TYR 281.A N LYS 356.A O no hydrogen 2.961 N/A VAL 282.A N SER 326.A O no hydrogen 3.104 N/A VAL 283.A N THR 359.A O no hydrogen 2.959 N/A VAL 284.A N ILE 328.A O no hydrogen 2.800 N/A GLY 285.A N ILE 361.A O no hydrogen 2.986 N/A ALA 286.A N ALA 330.A O no hydrogen 3.103 N/A GLN 287.A N ASP 364.A OD1 no hydrogen 2.476 N/A GLN 287.A NE2 ASP 289.A O no hydrogen 2.797 N/A GLN 287.A NE2 ASP 336.A OD1 no hydrogen 3.502 N/A ARG 288.A N TRP 332.A O no hydrogen 2.759 N/A ARG 288.A NE SER 331.A OG no hydrogen 3.194 N/A ARG 288.A NH1 ASP 41.A OD2 no hydrogen 2.656 N/A ARG 288.A NH1 LEU 266.A O no hydrogen 3.179 N/A ARG 288.A NH2 LEU 266.A O no hydrogen 2.411 N/A ARG 288.A NH2 SER 331.A O no hydrogen 2.773 N/A ALA 290.A N ARG 34.A O no hydrogen 2.754 N/A ALA 295.A N ASP 450.A O no hydrogen 2.922 N/A ALA 296.A N ASP 450.A OD1 no hydrogen 2.852 N/A LYS 297.A N ASP 450.A OD2 no hydrogen 3.129 N/A LYS 297.A NZ ASP 336.A OD1 no hydrogen 2.658 N/A LYS 297.A NZ ASP 336.A OD2 no hydrogen 3.446 N/A SER 298.A N GLY 294.A O no hydrogen 2.681 N/A SER 298.A OG GLN 287.A O no hydrogen 2.985 N/A SER 298.A OG ARG 288.A O no hydrogen 2.574 N/A SER 298.A OG ASP 289.A O no hydrogen 3.339 N/A GLY 299.A N GLY 294.A O no hydrogen 2.842 N/A VAL 300.A N ALA 295.A O no hydrogen 2.885 N/A THR 302.A N SER 298.A O no hydrogen 2.988 N/A THR 302.A OG1 GLN 287.A O no hydrogen 3.081 N/A THR 302.A OG1 SER 298.A O no hydrogen 3.317 N/A ALA 303.A N GLY 299.A O no hydrogen 2.678 N/A LEU 304.A N VAL 300.A O no hydrogen 2.862 N/A LEU 305.A N GLY 301.A O no hydrogen 2.907 N/A LEU 306.A N THR 302.A O no hydrogen 2.980 N/A LYS 307.A N ALA 303.A O no hydrogen 3.035 N/A LYS 307.A NZ GLN 310.A OE1 no hydrogen 3.139 N/A LEU 308.A N LEU 304.A O no hydrogen 2.886 N/A ALA 309.A N LEU 305.A O no hydrogen 3.015 N/A GLN 310.A N LEU 306.A O no hydrogen 3.063 N/A MET 311.A N LYS 307.A O no hydrogen 2.827 N/A PHE 312.A N LEU 308.A O no hydrogen 3.020 N/A SER 313.A N ALA 309.A O no hydrogen 3.284 N/A SER 313.A N GLN 310.A O no hydrogen 2.737 N/A SER 313.A OG PHE 55.A O no hydrogen 2.446 N/A ASP 314.A N GLN 310.A O no hydrogen 3.010 N/A MET 315.A N MET 311.A O no hydrogen 2.981 N/A VAL 316.A N PHE 312.A O no hydrogen 3.191 N/A LEU 317.A N SER 313.A O no hydrogen 2.809 N/A LYS 318.A N ASP 314.A O no hydrogen 2.499 N/A PHE 321.A N MET 315.A O no hydrogen 2.623 N/A SER 324.A N THR 481.A O no hydrogen 2.826 N/A ARG 325.A NH1 ASP 483.A O no hydrogen 3.546 N/A ARG 325.A NH2 ASP 483.A O no hydrogen 2.723 N/A SER 326.A N HIS 280.A O no hydrogen 3.002 N/A SER 326.A OG PRO 278.A O no hydrogen 2.530 N/A ILE 327.A N ILE 272.A O no hydrogen 3.164 N/A ILE 328.A N VAL 282.A O no hydrogen 2.866 N/A PHE 329.A N GLY 270.A O no hydrogen 2.530 N/A ALA 330.A N VAL 284.A O no hydrogen 2.847 N/A SER 331.A N ILE 268.A O no hydrogen 2.840 N/A TRP 332.A N ALA 286.A O no hydrogen 3.057 N/A TRP 332.A NE1 TYR 360.A OH no hydrogen 3.241 N/A SER 333.A OG ASP 41.A OD1 no hydrogen 2.782 N/A GLY 335.A N ASP 289.A OD1 no hydrogen 2.740 N/A ASP 336.A N ASP 289.A OD2 no hydrogen 3.025 N/A GLY 338.A N GLY 335.A O no hydrogen 2.959 N/A SER 339.A N GLY 335.A O no hydrogen 3.156 N/A VAL 340.A N ALA 334.A O no hydrogen 3.009 N/A GLY 341.A N SER 333.A O no hydrogen 2.934 N/A THR 343.A N SER 339.A O no hydrogen 2.919 N/A THR 343.A OG1 THR 184.A OG1 no hydrogen 3.062 N/A THR 343.A OG1 SER 339.A O no hydrogen 2.725 N/A GLU 344.A N VAL 340.A O no hydrogen 2.845 N/A TRP 345.A N GLY 341.A O no hydrogen 3.079 N/A LEU 346.A N ALA 342.A O no hydrogen 3.069 N/A GLU 347.A N THR 343.A O no hydrogen 2.854 N/A GLY 348.A N GLU 344.A O no hydrogen 2.808 N/A TYR 349.A N TRP 345.A O no hydrogen 2.736 N/A TYR 349.A OH ASP 63.A OD1 no hydrogen 2.536 N/A TYR 349.A OH ASP 63.A OD2 no hydrogen 3.211 N/A SER 352.A N TYR 349.A O no hydrogen 2.869 N/A LEU 353.A N TYR 349.A O no hydrogen 3.084 N/A LEU 353.A N LEU 350.A O no hydrogen 2.975 N/A HIS 354.A N LEU 350.A O no hydrogen 3.065 N/A LYS 356.A N LEU 353.A O no hydrogen 2.724 N/A LYS 356.A NZ ASP 279.A OD2 no hydrogen 3.155 N/A ALA 357.A N LEU 353.A O no hydrogen 3.008 N/A PHE 358.A N TYR 281.A O no hydrogen 2.941 N/A THR 359.A OG1 PHE 358.A O no hydrogen 2.599 N/A TYR 360.A N PRO 430.A O no hydrogen 2.857 N/A ILE 361.A N VAL 283.A O no hydrogen 2.815 N/A ASN 362.A N VAL 432.A O no hydrogen 3.024 N/A ASN 362.A ND2 TYR 360.A OH no hydrogen 2.509 N/A ASN 362.A ND2 ASP 364.A OD2 no hydrogen 3.378 N/A LEU 363.A N GLY 285.A O no hydrogen 2.872 N/A ASP 364.A N ASN 362.A OD1 no hydrogen 3.364 N/A LEU 368.A N PHE 436.A O no hydrogen 2.743 N/A GLY 369.A N PHE 436.A O no hydrogen 2.800 N/A THR 370.A N GLU 438.A OE1 no hydrogen 3.228 N/A THR 370.A N GLU 438.A OE2 no hydrogen 3.240 N/A SER 371.A N GLU 438.A OE2 no hydrogen 2.701 N/A SER 371.A OG GLU 438.A OE2 no hydrogen 2.373 N/A ASN 372.A N CYS 437.A O no hydrogen 2.919 N/A ASN 372.A ND2 ASP 439.A OD1 no hydrogen 2.926 N/A LYS 374.A N CYS 435.A O no hydrogen 2.971 N/A LYS 374.A NZ GLU 438.A O no hydrogen 2.681 N/A SER 376.A N SER 433.A O no hydrogen 2.909 N/A SER 376.A OG GLU 412.A O no hydrogen 2.450 N/A SER 378.A N ALA 431.A O no hydrogen 3.007 N/A SER 378.A OG GLU 561.A OE1 no hydrogen 2.519 N/A LEU 380.A N SER 378.A OG no hydrogen 3.056 N/A LEU 381.A N SER 378.A O no hydrogen 2.944 N/A TYR 382.A N PRO 379.A O no hydrogen 2.973 N/A THR 383.A OG1 ASP 489.A OD2 no hydrogen 2.507 N/A ILE 385.A N LEU 381.A O no hydrogen 2.914 N/A GLU 386.A N TYR 382.A O no hydrogen 2.680 N/A LYS 387.A N THR 383.A O no hydrogen 2.930 N/A THR 388.A N LEU 384.A O no hydrogen 3.057 N/A THR 388.A OG1 LEU 384.A O no hydrogen 2.853 N/A MET 389.A N ILE 385.A O no hydrogen 2.995 N/A GLN 390.A N GLU 386.A O no hydrogen 2.929 N/A GLN 390.A N LYS 387.A O no hydrogen 3.082 N/A ASN 391.A N LYS 387.A O no hydrogen 3.268 N/A ASN 391.A N THR 388.A O no hydrogen 3.391 N/A ASN 391.A ND2 LYS 387.A O no hydrogen 3.296 N/A ASN 391.A ND2 GLN 475.A OE1 no hydrogen 2.638 N/A HIS 394.A N GLN 399.A O no hydrogen 2.739 N/A GLY 398.A N HIS 394.A O no hydrogen 2.933 N/A LEU 401.A N VAL 392.A O no hydrogen 3.064 N/A TYR 402.A N MET 389.A O no hydrogen 2.762 N/A ASN 406.A N ASP 404.A OD1 no hydrogen 2.617 N/A TRP 407.A N ASP 404.A O no hydrogen 3.441 N/A TRP 407.A NE1 GLU 386.A OE2 no hydrogen 3.024 N/A SER 409.A N ASN 406.A O no hydrogen 2.953 N/A SER 409.A OG ASN 406.A O no hydrogen 2.844 N/A LYS 410.A N TRP 407.A O no hydrogen 2.922 N/A VAL 411.A N ALA 408.A O no hydrogen 3.459 N/A THR 415.A OG1 ASP 417.A OD1 no hydrogen 2.349 N/A ASN 418.A N THR 415.A O no hydrogen 2.770 N/A PHE 421.A N ASN 418.A O no hydrogen 2.784 N/A LEU 424.A N ALA 420.A O no hydrogen 3.248 N/A ALA 425.A N PHE 421.A O no hydrogen 2.897 N/A TYR 426.A N PRO 422.A O no hydrogen 2.849 N/A SER 427.A N PRO 422.A O no hydrogen 3.166 N/A GLY 428.A N LEU 424.A O no hydrogen 3.326 N/A ILE 429.A N PHE 423.A O no hydrogen 2.902 N/A VAL 432.A N TYR 360.A O no hydrogen 3.010 N/A SER 433.A N SER 376.A O no hydrogen 2.806 N/A SER 433.A OG ASN 418.A OD1 no hydrogen 3.120 N/A CYS 435.A N LYS 374.A O no hydrogen 3.092 N/A PHE 436.A N ALA 366.A O no hydrogen 2.896 N/A CYS 437.A N ASN 372.A O no hydrogen 2.896 N/A LEU 445.A N TYR 442.A O no hydrogen 3.200 N/A THR 447.A N TYR 444.A O no hydrogen 2.874 N/A THR 447.A OG1 TYR 444.A O no hydrogen 2.540 N/A MET 449.A N THR 447.A OG1 no hydrogen 2.986 N/A THR 451.A N MET 449.A O no hydrogen 2.791 N/A LEU 455.A N THR 451.A O no hydrogen 2.907 N/A ILE 456.A N TYR 452.A O no hydrogen 2.946 N/A GLU 457.A N LYS 453.A O no hydrogen 3.124 N/A ARG 458.A N GLU 454.A O no hydrogen 2.933 N/A ILE 459.A N LEU 455.A O no hydrogen 2.906 N/A GLU 461.A N GLU 461.A OE1 no hydrogen 2.489 N/A VAL 465.A N GLU 461.A O no hydrogen 3.022 N/A ALA 466.A N LEU 462.A O no hydrogen 2.660 N/A ARG 467.A N ASN 463.A O no hydrogen 3.095 N/A ARG 467.A NH2 ASP 15.A OD1 no hydrogen 3.193 N/A ALA 468.A N LYS 464.A O no hydrogen 3.069 N/A ALA 469.A N VAL 465.A O no hydrogen 3.055 N/A ALA 470.A N ALA 466.A O no hydrogen 2.878 N/A GLU 471.A N ARG 467.A O no hydrogen 2.745 N/A VAL 472.A N ALA 468.A O no hydrogen 3.086 N/A ALA 473.A N ALA 469.A O no hydrogen 3.019 N/A GLY 474.A N ALA 470.A O no hydrogen 2.739 N/A GLN 475.A N GLU 471.A O no hydrogen 2.903 N/A GLN 475.A NE2 ASN 391.A OD1 no hydrogen 2.871 N/A PHE 476.A N VAL 472.A O no hydrogen 2.992 N/A VAL 477.A N ALA 473.A O no hydrogen 2.950 N/A ILE 478.A N GLY 474.A O no hydrogen 2.974 N/A LYS 479.A N GLN 475.A O no hydrogen 2.844 N/A LEU 480.A N PHE 476.A O no hydrogen 2.866 N/A THR 481.A N VAL 477.A O no hydrogen 3.058 N/A THR 481.A N ILE 478.A O no hydrogen 2.910 N/A THR 481.A OG1 VAL 477.A O no hydrogen 2.710 N/A THR 481.A OG1 ILE 478.A O no hydrogen 3.550 N/A HIS 482.A N ILE 478.A O no hydrogen 2.589 N/A LEU 488.A N LEU 486.A O no hydrogen 2.641 N/A ASP 489.A N LEU 380.A O no hydrogen 2.877 N/A TYR 490.A OH THR 536.A OG1 no hydrogen 2.784 N/A GLU 491.A N ASP 489.A OD1 no hydrogen 3.169 N/A ARG 492.A N ASP 489.A O no hydrogen 3.135 N/A ARG 492.A NE THR 383.A OG1 no hydrogen 2.890 N/A ARG 492.A NH2 THR 383.A OG1 no hydrogen 3.105 N/A ARG 492.A NH2 GLU 386.A OE1 no hydrogen 3.409 N/A TYR 493.A N TYR 490.A O no hydrogen 3.341 N/A TYR 493.A OH GLU 561.A OE2 no hydrogen 2.631 N/A TYR 493.A OH HIS 578.A NE2 no hydrogen 3.418 N/A ASN 494.A N GLU 491.A O no hydrogen 2.899 N/A ASN 494.A ND2 GLU 491.A OE1 no hydrogen 2.943 N/A ASN 494.A ND2 THR 532.A OG1 no hydrogen 3.158 N/A LEU 497.A N TYR 493.A O no hydrogen 2.981 N/A LEU 498.A N ASN 494.A O no hydrogen 2.994 N/A SER 499.A N SER 495.A O no hydrogen 3.024 N/A PHE 500.A N GLN 496.A O no hydrogen 3.051 N/A VAL 501.A N LEU 497.A O no hydrogen 3.009 N/A ARG 502.A N LEU 498.A O no hydrogen 2.889 N/A ASP 503.A N SER 499.A O no hydrogen 2.881 N/A LEU 504.A N VAL 501.A O no hydrogen 3.164 N/A ASN 505.A N ARG 502.A O no hydrogen 3.222 N/A TYR 507.A N LEU 504.A O no hydrogen 3.158 N/A ARG 508.A N ASN 505.A O no hydrogen 3.090 N/A ARG 508.A NH1 TYR 522.A OH no hydrogen 2.908 N/A ILE 511.A N TYR 507.A O no hydrogen 2.956 N/A LYS 512.A N ARG 508.A O no hydrogen 2.857 N/A GLU 513.A N ALA 509.A O no hydrogen 2.847 N/A MET 514.A N ASP 510.A O no hydrogen 2.993 N/A GLY 515.A N LYS 512.A O no hydrogen 2.856 N/A LEU 516.A N ILE 511.A O no hydrogen 2.921 N/A GLN 519.A N SER 517.A OG no hydrogen 2.969 N/A TYR 522.A N LEU 518.A O no hydrogen 2.910 N/A SER 523.A N GLN 519.A O no hydrogen 2.836 N/A SER 523.A OG GLN 519.A O no hydrogen 3.523 N/A SER 523.A OG TRP 520.A O no hydrogen 3.023 N/A ALA 524.A N TRP 520.A O no hydrogen 2.957 N/A ALA 524.A N LEU 521.A O no hydrogen 3.012 N/A ARG 525.A N LEU 521.A O no hydrogen 3.126 N/A ARG 525.A NE TYR 522.A O no hydrogen 3.473 N/A GLY 526.A N TYR 522.A O no hydrogen 3.142 N/A ASP 527.A N SER 523.A O no hydrogen 2.907 N/A PHE 528.A N ALA 524.A O no hydrogen 2.894 N/A PHE 529.A N ARG 525.A O no hydrogen 3.121 N/A ARG 530.A N GLY 526.A O no hydrogen 2.987 N/A ALA 531.A N ASP 527.A O no hydrogen 3.010 N/A THR 532.A N PHE 528.A O no hydrogen 2.842 N/A THR 532.A OG1 PHE 529.A O no hydrogen 2.491 N/A SER 533.A N PHE 529.A O no hydrogen 2.969 N/A SER 533.A OG PHE 529.A O no hydrogen 3.383 N/A ARG 534.A N ARG 530.A O no hydrogen 2.869 N/A ARG 534.A NH2 ASP 634.A O no hydrogen 3.406 N/A LEU 535.A N ALA 531.A O no hydrogen 2.976 N/A THR 536.A N THR 532.A O no hydrogen 2.918 N/A THR 536.A OG1 TYR 490.A OH no hydrogen 2.784 N/A THR 536.A OG1 THR 532.A O no hydrogen 3.282 N/A THR 537.A N SER 533.A O no hydrogen 2.916 N/A THR 537.A OG1 SER 533.A O no hydrogen 3.057 N/A ASP 538.A N ARG 534.A O no hydrogen 2.955 N/A PHE 539.A N LEU 535.A O no hydrogen 3.023 N/A GLY 540.A N THR 536.A O no hydrogen 2.949 N/A ASN 541.A N THR 537.A O no hydrogen 2.923 N/A ALA 542.A N PHE 539.A O no hydrogen 2.848 N/A LYS 544.A NZ PHE 539.A O no hydrogen 2.608 N/A ASP 546.A N GLU 543.A O no hydrogen 2.824 N/A PHE 548.A N ASP 546.A OD1 no hydrogen 2.935 N/A VAL 549.A N ASP 546.A OD1 no hydrogen 3.183 N/A MET 550.A N ASP 546.A O no hydrogen 3.105 N/A LYS 551.A N PHE 548.A O no hydrogen 3.010 N/A LYS 551.A NZ ASP 555.A OD1 no hydrogen 3.358 N/A LYS 552.A N PHE 548.A O no hydrogen 3.188 N/A LEU 553.A N VAL 549.A O no hydrogen 3.282 N/A ASN 554.A N MET 550.A O no hydrogen 3.056 N/A ASN 554.A ND2 VAL 484.A O no hydrogen 2.862 N/A ASP 555.A N LYS 551.A O no hydrogen 2.903 N/A ARG 556.A N LYS 552.A O no hydrogen 3.432 N/A ARG 556.A NE LEU 628.A O no hydrogen 3.206 N/A ARG 556.A NH2 ASP 538.A OD2 no hydrogen 3.274 N/A ARG 556.A NH2 LEU 628.A O no hydrogen 3.414 N/A VAL 557.A N LEU 553.A O no hydrogen 3.278 N/A MET 558.A N ASN 554.A O no hydrogen 2.983 N/A ARG 559.A N ASP 555.A O no hydrogen 3.183 N/A VAL 560.A N VAL 557.A O no hydrogen 3.095 N/A HIS 563.A N ARG 559.A O no hydrogen 2.995 N/A PHE 564.A N GLU 561.A O no hydrogen 3.271 N/A LEU 565.A N TYR 562.A O no hydrogen 3.032 N/A SER 566.A N ARG 577.A O no hydrogen 2.676 N/A TYR 568.A N SER 566.A OG no hydrogen 3.172 N/A LYS 572.A N SER 570.A OG no hydrogen 3.141 N/A GLU 573.A N SER 570.A OG no hydrogen 3.161 N/A SER 574.A N SER 570.A O no hydrogen 2.697 N/A ARG 577.A N PRO 575.A O no hydrogen 2.911 N/A ARG 577.A NH1 SER 566.A O no hydrogen 2.785 N/A HIS 578.A N ALA 425.A O no hydrogen 3.165 N/A VAL 579.A N PHE 564.A O no hydrogen 2.769 N/A TRP 581.A NE1 TYR 493.A OH no hydrogen 3.239 N/A GLY 582.A N HIS 578.A O no hydrogen 2.673 N/A SER 583.A N PHE 576.A O no hydrogen 3.099 N/A HIS 586.A NE2 PHE 576.A O no hydrogen 2.866 N/A THR 587.A N GLY 584.A O no hydrogen 2.861 N/A LEU 588.A N VAL 579.A O no hydrogen 2.773 N/A LEU 591.A N THR 587.A O no hydrogen 3.284 N/A LEU 591.A N LEU 588.A O no hydrogen 2.980 N/A LEU 592.A N LEU 588.A O no hydrogen 3.269 N/A GLU 593.A N PRO 589.A O no hydrogen 2.694 N/A ASN 594.A N ALA 590.A O no hydrogen 3.078 N/A ASN 594.A ND2 ASN 606.A O no hydrogen 3.109 N/A ASN 594.A ND2 GLN 613.A OE1 no hydrogen 2.970 N/A LEU 595.A N LEU 591.A O no hydrogen 3.195 N/A LYS 596.A N LEU 592.A O no hydrogen 2.819 N/A LEU 597.A N ASN 594.A O no hydrogen 2.833 N/A ARG 598.A N LEU 595.A O no hydrogen 3.137 N/A ARG 598.A NH1 ASP 510.A OD1 no hydrogen 2.986 N/A ARG 598.A NH1 GLU 513.A OE1 no hydrogen 3.517 N/A LYS 599.A N LYS 596.A O no hydrogen 3.269 N/A LYS 599.A NZ GLN 506.A O no hydrogen 3.534 N/A LYS 599.A NZ ASP 510.A OD2 no hydrogen 3.175 N/A ASN 606.A N ASN 594.A OD1 no hydrogen 3.263 N/A THR 608.A OG1 ASN 606.A OD1 no hydrogen 3.072 N/A LEU 609.A N ASN 606.A OD1 no hydrogen 2.964 N/A PHE 610.A N ASN 606.A O no hydrogen 2.920 N/A ARG 611.A N GLU 607.A O no hydrogen 2.686 N/A ARG 611.A NH2 MET 514.A O no hydrogen 3.059 N/A ASN 612.A N THR 608.A O no hydrogen 3.158 N/A ASN 612.A ND2 THR 608.A O no hydrogen 3.083 N/A GLN 613.A N LEU 609.A O no hydrogen 2.825 N/A GLN 613.A NE2 SER 585.A O no hydrogen 3.315 N/A GLN 613.A NE2 ALA 590.A O no hydrogen 3.486 N/A LEU 614.A N PHE 610.A O no hydrogen 2.869 N/A ALA 615.A N ARG 611.A O no hydrogen 3.204 N/A LEU 616.A N ASN 612.A O no hydrogen 2.955 N/A ALA 617.A N GLN 613.A O no hydrogen 2.929 N/A THR 618.A N LEU 614.A O no hydrogen 2.900 N/A THR 618.A OG1 LEU 614.A O no hydrogen 2.998 N/A TRP 619.A N ALA 615.A O no hydrogen 3.125 N/A THR 620.A N LEU 616.A O no hydrogen 2.667 N/A THR 620.A OG1 LEU 616.A O no hydrogen 3.042 N/A ILE 621.A N ALA 617.A O no hydrogen 3.083 N/A GLN 622.A N THR 618.A O no hydrogen 2.993 N/A GLN 622.A NE2 ASP 527.A OD2 no hydrogen 3.489 N/A GLN 622.A NE2 GLN 622.A O no hydrogen 3.495 N/A GLY 623.A N TRP 619.A O no hydrogen 2.880 N/A ALA 624.A N THR 620.A O no hydrogen 3.072 N/A ALA 625.A N ILE 621.A O no hydrogen 3.045 N/A ASN 626.A N GLN 622.A O no hydrogen 2.815 N/A ALA 627.A N GLY 623.A O no hydrogen 3.020 N/A LEU 628.A N ALA 624.A O no hydrogen 3.015 N/A SER 629.A N ALA 625.A O no hydrogen 2.991 N/A SER 629.A OG ALA 625.A O no hydrogen 3.458 N/A SER 629.A OG ASN 626.A O no hydrogen 3.008 N/A GLY 630.A N ALA 627.A O no hydrogen 3.001 N/A ASP 634.A N ASP 631.A O no hydrogen 2.627 N/A