Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3v99_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A N VAL 51.A O no hydrogen 2.827 N/A THR 3.A N LYS 84.A O no hydrogen 2.810 N/A THR 3.A OG1 ASP 50.A OD1 no hydrogen 3.570 N/A VAL 4.A N TYR 49.A O no hydrogen 2.802 N/A THR 5.A N THR 82.A O no hydrogen 3.021 N/A THR 5.A OG1 SER 48.A OG no hydrogen 3.085 N/A VAL 6.A N ASP 47.A O no hydrogen 2.777 N/A ALA 7.A N TYR 80.A O no hydrogen 3.113 N/A THR 8.A N ALA 45.A O no hydrogen 2.863 N/A GLY 9.A N TYR 77.A O no hydrogen 2.874 N/A GLN 11.A N GLN 11.A OE1 no hydrogen 2.668 N/A ALA 14.A N GLN 11.A O no hydrogen 3.091 N/A THR 16.A N PHE 41.A O no hydrogen 2.877 N/A THR 16.A OG1 ASP 74.A O no hydrogen 2.783 N/A ASP 18.A N THR 16.A OG1 no hydrogen 3.153 N/A TYR 19.A N ARG 68.A O no hydrogen 3.005 N/A TYR 21.A N GLU 66.A O no hydrogen 2.801 N/A LEU 22.A N HIS 34.A O no hydrogen 2.832 N/A SER 23.A N ARG 64.A O no hydrogen 3.123 N/A LEU 24.A N SER 31.A OG no hydrogen 2.887 N/A VAL 25.A N LEU 62.A O no hydrogen 2.934 N/A GLY 26.A N GLY 29.A O no hydrogen 2.803 N/A SER 27.A N GLU 59.A O no hydrogen 3.125 N/A ALA 28.A N LEU 57.A O no hydrogen 2.939 N/A SER 31.A N LEU 24.A O no hydrogen 2.918 N/A SER 31.A OG GLU 32.A O no hydrogen 3.259 N/A HIS 34.A N LEU 22.A O no hydrogen 2.821 N/A HIS 34.A ND1 GLU 32.A O no hydrogen 2.877 N/A LEU 36.A N ILE 20.A O no hydrogen 2.777 N/A LYS 38.A NZ ASP 37.A OD1 no hydrogen 3.176 N/A SER 40.A OG ASP 17.A OD1 no hydrogen 3.165 N/A PHE 41.A N THR 16.A O no hydrogen 3.263 N/A ARG 43.A NE SER 10.A O no hydrogen 2.886 N/A GLY 44.A N GLY 9.A O no hydrogen 2.732 N/A ALA 45.A N GLU 42.A O no hydrogen 2.859 N/A ASP 47.A N VAL 6.A O no hydrogen 2.877 N/A SER 48.A OG THR 5.A OG1 no hydrogen 3.085 N/A TYR 49.A N VAL 4.A O no hydrogen 2.779 N/A TYR 49.A OH LYS 38.A O no hydrogen 3.291 N/A VAL 51.A N TYR 2.A O no hydrogen 2.677 N/A GLU 55.A N ASP 54.A OD1 no hydrogen 2.422 N/A GLN 61.A N VAL 25.A O no hydrogen 2.702 N/A LEU 62.A N VAL 25.A O no hydrogen 3.052 N/A VAL 63.A N LEU 107.A O no hydrogen 3.082 N/A ARG 64.A N SER 23.A O no hydrogen 2.897 N/A ILE 65.A N VAL 105.A O no hydrogen 2.659 N/A GLU 66.A N TYR 21.A O no hydrogen 2.896 N/A LYS 67.A NZ ASP 18.A OD2 no hydrogen 2.520 N/A LYS 67.A NZ ASN 73.A OD1 no hydrogen 3.099 N/A ARG 68.A N TYR 19.A O no hydrogen 2.788 N/A TYR 70.A N ASP 18.A OD1 no hydrogen 3.169 N/A ASP 74.A N ASP 18.A OD2 no hydrogen 3.178 N/A TRP 76.A N ILE 99.A O no hydrogen 3.058 N/A TRP 76.A NE1 THR 8.A OG1 no hydrogen 2.859 N/A TYR 77.A N ALA 14.A O no hydrogen 2.960 N/A TYR 77.A OH GLU 580.A OE2 no hydrogen 2.644 N/A LEU 78.A N ARG 97.A O no hydrogen 2.979 N/A LYS 79.A N ALA 7.A O no hydrogen 2.965 N/A ILE 81.A N PHE 93.A O no hydrogen 2.943 N/A THR 82.A N THR 5.A O no hydrogen 2.855 N/A LEU 83.A N ILE 91.A O no hydrogen 2.587 N/A LYS 84.A N THR 3.A O no hydrogen 2.881 N/A THR 85.A N ASP 89.A O no hydrogen 2.997 N/A THR 85.A OG1 ASP 89.A O no hydrogen 3.491 N/A GLY 88.A N THR 85.A O no hydrogen 2.802 N/A ASP 89.A N THR 85.A OG1 no hydrogen 2.964 N/A ILE 91.A N LEU 83.A O no hydrogen 2.848 N/A PHE 93.A N ILE 81.A O no hydrogen 2.590 N/A CYS 95.A N LYS 79.A O no hydrogen 2.874 N/A TYR 96.A N LYS 79.A O no hydrogen 2.723 N/A ARG 97.A N LEU 78.A O no hydrogen 3.177 N/A ARG 97.A NE ASP 162.A OD2 no hydrogen 3.196 N/A TRP 98.A N ASP 162.A OD1 no hydrogen 2.793 N/A ILE 99.A N TRP 76.A O no hydrogen 2.708 N/A THR 100.A OG1 ASP 102.A OD1 no hydrogen 2.370 N/A VAL 105.A N ILE 65.A O no hydrogen 2.770 N/A LEU 107.A N VAL 63.A O no hydrogen 2.951 N/A ARG 108.A NH1 ASP 118.A OD1 no hydrogen 3.084 N/A ARG 108.A NH2 ASP 118.A OD1 no hydrogen 3.402 N/A ARG 108.A NH2 ASP 118.A OD2 no hydrogen 2.923 N/A GLY 110.A N GLU 92.A O no hydrogen 2.742 N/A ARG 111.A N ASP 109.A OD1 no hydrogen 3.001 N/A ARG 111.A NE ASP 109.A OD1 no hydrogen 3.038 N/A ARG 111.A NH2 ASP 109.A OD2 no hydrogen 3.233 N/A ALA 112.A N GLU 585.A OE1 no hydrogen 3.058 N/A LYS 113.A N VAL 366.A O no hydrogen 2.996 N/A LEU 114.A N ASP 117.A OD2 no hydrogen 2.739 N/A ARG 116.A NH2 GLU 455.A OE1 no hydrogen 3.237 N/A ASP 117.A N LEU 114.A O no hydrogen 2.758 N/A ASP 118.A N ALA 115.A O no hydrogen 3.181 N/A GLN 119.A NE2 ARG 116.A O no hydrogen 2.861 N/A LEU 123.A N ILE 120.A O no hydrogen 3.118 N/A LYS 124.A N ILE 120.A O no hydrogen 3.071 N/A GLN 125.A N HIS 121.A O no hydrogen 2.774 N/A HIS 126.A N ILE 122.A O no hydrogen 3.317 N/A HIS 126.A NE2 VAL 106.A O no hydrogen 2.926 N/A ARG 127.A N LEU 123.A O no hydrogen 3.009 N/A ARG 127.A NE GLU 465.A OE1 no hydrogen 3.258 N/A ARG 127.A NE GLU 465.A OE2 no hydrogen 2.757 N/A ARG 127.A NH1 LYS 113.A O no hydrogen 3.192 N/A ARG 127.A NH1 ASP 118.A OD1 no hydrogen 2.639 N/A ARG 127.A NH2 LYS 113.A O no hydrogen 2.538 N/A ARG 127.A NH2 GLU 465.A OE1 no hydrogen 3.010 N/A ARG 128.A N LYS 124.A O no hydrogen 2.990 N/A LYS 129.A N GLN 125.A O no hydrogen 2.834 N/A GLU 130.A N HIS 126.A O no hydrogen 2.911 N/A LEU 131.A N ARG 127.A O no hydrogen 3.271 N/A GLU 132.A N ARG 128.A O no hydrogen 3.111 N/A THR 133.A N LYS 129.A O no hydrogen 3.067 N/A THR 133.A OG1 LYS 129.A O no hydrogen 3.056 N/A ARG 134.A N GLU 130.A O no hydrogen 2.879 N/A ARG 134.A NH1 TYR 360.A O no hydrogen 2.677 N/A ARG 134.A NH1 LEU 363.A O no hydrogen 2.627 N/A GLN 135.A N LEU 131.A O no hydrogen 2.954 N/A GLN 135.A NE2 ARG 361.A O no hydrogen 2.890 N/A LYS 136.A N THR 133.A O no hydrogen 3.095 N/A GLN 137.A N THR 133.A O no hydrogen 2.992 N/A TYR 138.A N ARG 134.A O no hydrogen 2.786 N/A ARG 139.A NH1 GLN 135.A O no hydrogen 3.000 N/A TRP 140.A NE1 ASP 472.A OD2 no hydrogen 3.084 N/A GLY 146.A N GLU 142.A OE2 no hydrogen 3.340 N/A PHE 147.A N ASN 144.A O no hydrogen 2.974 N/A LEU 149.A N GLY 477.A O no hydrogen 3.283 N/A SER 150.A N MET 141.A O no hydrogen 2.852 N/A ILE 151.A N GLU 353.A OE2 no hydrogen 2.997 N/A ASP 152.A N ARG 139.A O no hydrogen 2.802 N/A ALA 153.A N ILE 151.A O no hydrogen 3.007 N/A CYS 155.A SG ASP 158.A OD2 no hydrogen 3.004 N/A HIS 156.A N GLU 389.A OE1 no hydrogen 3.357 N/A ASP 158.A N CYS 155.A O no hydrogen 3.158 N/A LEU 159.A N HIS 156.A O no hydrogen 3.167 N/A ARG 161.A NE ASP 75.A OD2 no hydrogen 3.092 N/A ARG 161.A NH1 ARG 161.A O no hydrogen 3.282 N/A ILE 163.A N PRO 160.A O no hydrogen 3.077 N/A GLN 164.A N ARG 161.A O no hydrogen 3.388 N/A GLN 164.A NE2 LEU 159.A O no hydrogen 2.733 N/A PHE 165.A N HIS 156.A NE2 no hydrogen 2.993 N/A TYR 172.A N PHE 168.A O no hydrogen 3.255 N/A LYS 174.A N LEU 170.A O no hydrogen 2.552 N/A ALA 175.A N ASN 171.A O no hydrogen 2.713 N/A MET 176.A N TYR 172.A O no hydrogen 3.106 N/A GLU 177.A N SER 173.A O no hydrogen 2.941 N/A ASN 178.A N LYS 174.A O no hydrogen 2.925 N/A LEU 179.A N ALA 175.A O no hydrogen 3.022 N/A PHE 180.A N MET 176.A O no hydrogen 3.494 N/A SER 183.A N ASP 186.A OD2 no hydrogen 3.298 N/A ASN 185.A N SER 183.A OG no hydrogen 3.248 N/A ASP 186.A N SER 183.A O no hydrogen 3.138 N/A PHE 187.A N TRP 184.A O no hydrogen 3.473 N/A ALA 188.A N ASN 185.A O no hydrogen 3.217 N/A ASP 189.A N ASP 186.A O no hydrogen 3.285 N/A PHE 190.A N ARG 555.A O no hydrogen 2.787 N/A GLU 191.A N ASP 189.A OD1 no hydrogen 3.305 N/A LYS 192.A N ASP 189.A O no hydrogen 3.064 N/A ILE 193.A N PHE 190.A O no hydrogen 2.863 N/A PHE 194.A N PHE 190.A O no hydrogen 2.832 N/A VAL 195.A N GLU 191.A O no hydrogen 3.484 N/A LYS 196.A NZ LYS 192.A O no hydrogen 3.034 N/A ILE 197.A N ILE 193.A O no hydrogen 3.194 N/A ILE 197.A N PHE 194.A O no hydrogen 2.959 N/A SER 198.A OG PHE 194.A O no hydrogen 2.760 N/A ASN 199.A N SER 202.A OG no hydrogen 3.232 N/A SER 202.A N ASN 199.A OD1 no hydrogen 2.825 N/A SER 202.A OG ASN 199.A O no hydrogen 3.383 N/A SER 202.A OG ASN 199.A OD1 no hydrogen 2.846 N/A GLU 203.A N ASN 199.A O no hydrogen 3.285 N/A ARG 204.A N THR 200.A O no hydrogen 3.274 N/A VAL 205.A N ILE 201.A O no hydrogen 2.812 N/A MET 206.A N SER 202.A O no hydrogen 2.941 N/A ASN 207.A N GLU 203.A O no hydrogen 3.331 N/A HIS 208.A N ARG 204.A O no hydrogen 2.961 N/A HIS 208.A ND1 GLU 211.A OE2 no hydrogen 2.615 N/A GLU 211.A N HIS 208.A O no hydrogen 2.981 N/A PHE 215.A N GLU 211.A O no hydrogen 3.116 N/A GLY 216.A N ASP 212.A O no hydrogen 3.013 N/A TYR 217.A N LEU 213.A O no hydrogen 2.939 N/A GLN 218.A NE2 MET 214.A O no hydrogen 3.351 N/A GLN 218.A NE2 ASN 527.A OD1 no hydrogen 2.823 N/A PHE 219.A N GLY 216.A O no hydrogen 3.272 N/A LEU 220.A N TYR 217.A O no hydrogen 3.130 N/A ASN 221.A N TYR 217.A O no hydrogen 2.947 N/A ASN 221.A ND2 TYR 428.A O no hydrogen 2.933 N/A GLY 222.A N GLN 218.A O no hydrogen 2.895 N/A ASN 224.A ND2 ASP 335.A OD1 no hydrogen 2.898 N/A ARG 229.A N ILE 266.A O no hydrogen 3.073 N/A ARG 229.A NH1 ALA 417.A O no hydrogen 3.445 N/A ARG 230.A N ARG 418.A O no hydrogen 2.957 N/A ARG 230.A NE GLY 419.A O no hydrogen 3.002 N/A ARG 230.A NH2 GLY 419.A O no hydrogen 3.528 N/A CYS 231.A N ILE 264.A O no hydrogen 2.944 N/A CYS 231.A SG GLU 233.A O no hydrogen 3.164 N/A LYS 237.A NZ ASP 268.A OD2 no hydrogen 2.638 N/A LYS 237.A NZ GLN 306.A OE1 no hydrogen 2.908 N/A LEU 238.A N PRO 235.A O no hydrogen 3.030 N/A VAL 240.A N LEU 238.A O no hydrogen 2.833 N/A GLU 243.A N GLU 243.A OE1 no hydrogen 2.495 N/A MET 244.A N THR 241.A O no hydrogen 3.157 N/A MET 244.A N THR 241.A OG1 no hydrogen 3.359 N/A VAL 245.A N THR 242.A O no hydrogen 3.242 N/A SER 248.A N VAL 245.A O no hydrogen 2.778 N/A LEU 249.A N VAL 245.A O no hydrogen 3.372 N/A GLU 250.A N TYR 290.A OH no hydrogen 3.119 N/A ARG 251.A NH1 LYS 291.A O no hydrogen 2.735 N/A ARG 251.A NH2 LYS 291.A O no hydrogen 2.989 N/A ARG 251.A NH2 ASN 292.A O no hydrogen 3.024 N/A SER 254.A N GLN 257.A OE1 no hydrogen 2.981 N/A SER 254.A OG GLN 257.A OE1 no hydrogen 3.228 N/A LEU 255.A N THR 242.A OG1 no hydrogen 2.821 N/A GLN 257.A N SER 254.A OG no hydrogen 3.211 N/A GLU 258.A N SER 254.A O no hydrogen 2.936 N/A VAL 259.A N LEU 255.A O no hydrogen 3.053 N/A GLN 260.A N GLU 256.A O no hydrogen 3.250 N/A GLN 261.A N GLN 257.A O no hydrogen 2.920 N/A GLY 262.A N VAL 259.A O no hydrogen 3.009 N/A ASN 263.A N GLU 258.A O no hydrogen 2.970 N/A ASN 263.A ND2 GLU 258.A OE1 no hydrogen 2.868 N/A PHE 265.A N LEU 289.A O no hydrogen 2.792 N/A ILE 266.A N ARG 229.A O no hydrogen 2.930 N/A VAL 267.A N CYS 287.A O no hydrogen 2.881 N/A PHE 269.A N PRO 285.A O no hydrogen 2.986 N/A LEU 272.A N PHE 269.A O no hydrogen 2.849 N/A ASP 273.A N GLU 270.A O no hydrogen 3.013 N/A ILE 275.A N LEU 272.A O no hydrogen 3.434 N/A CYS 277.A SG THR 531.A OG1 no hydrogen 3.562 N/A CYS 277.A SG MET 532.A O no hydrogen 3.115 N/A GLN 280.A N GLN 280.A OE1 no hydrogen 2.581 N/A PHE 281.A N THR 278.A O no hydrogen 3.089 N/A LEU 282.A N LEU 279.A O no hydrogen 2.809 N/A ALA 284.A N LEU 304.A O no hydrogen 2.938 N/A ILE 286.A N GLN 303.A O no hydrogen 2.686 N/A CYS 287.A N VAL 267.A O no hydrogen 2.760 N/A LEU 288.A N ALA 301.A O no hydrogen 2.861 N/A LEU 289.A N PHE 265.A O no hydrogen 2.741 N/A TYR 290.A N VAL 298.A O no hydrogen 2.789 N/A TYR 290.A OH GLU 258.A OE2 no hydrogen 2.853 N/A LYS 291.A N ASN 263.A O no hydrogen 2.850 N/A LYS 291.A NZ ASN 295.A OD1 no hydrogen 2.779 N/A ASN 292.A N LYS 296.A O no hydrogen 2.900 N/A LEU 293.A N GLU 250.A OE1 no hydrogen 3.020 N/A ASN 295.A N ASN 292.A O no hydrogen 2.757 N/A LYS 296.A N ASN 292.A OD1 no hydrogen 2.950 N/A VAL 298.A N TYR 290.A O no hydrogen 2.932 N/A ILE 300.A N LEU 288.A O no hydrogen 2.920 N/A ALA 301.A N LEU 288.A O no hydrogen 3.446 N/A ILE 302.A N PHE 315.A O no hydrogen 2.937 N/A GLN 303.A N ILE 286.A O no hydrogen 3.076 N/A GLN 303.A NE2 LYS 237.A O no hydrogen 3.136 N/A GLN 303.A NE2 ASN 305.A O no hydrogen 2.727 N/A ASN 305.A N ASN 312.A OD1 no hydrogen 3.181 N/A ASN 305.A ND2 LEU 282.A O no hydrogen 3.252 N/A GLN 306.A NE2 ASP 268.A OD1 no hydrogen 2.988 N/A GLN 306.A NE2 ALA 284.A O no hydrogen 2.648 N/A ASN 312.A N GLY 309.A O no hydrogen 3.039 N/A ASN 312.A ND2 ASN 305.A O no hydrogen 2.926 N/A ASN 312.A ND2 ILE 307.A O no hydrogen 2.722 N/A PHE 315.A N ILE 302.A O no hydrogen 2.724 N/A LEU 316.A N ASP 319.A OD2 no hydrogen 2.918 N/A ASP 319.A N LEU 316.A O no hydrogen 2.931 N/A TRP 324.A N ALA 320.A O no hydrogen 3.139 N/A TRP 324.A NE1 ASP 212.A OD1 no hydrogen 2.782 N/A LEU 325.A N LYS 321.A O no hydrogen 2.981 N/A LEU 326.A N TYR 322.A O no hydrogen 3.123 N/A ALA 327.A N ASP 323.A O no hydrogen 3.182 N/A LYS 328.A N TRP 324.A O no hydrogen 3.143 N/A LYS 328.A NZ GLN 210.A O no hydrogen 2.842 N/A LYS 328.A NZ ASP 212.A OD1 no hydrogen 2.974 N/A ILE 329.A N LEU 325.A O no hydrogen 2.982 N/A TRP 330.A N LEU 326.A O no hydrogen 3.000 N/A VAL 331.A N ALA 327.A O no hydrogen 3.194 N/A ARG 332.A N LYS 328.A O no hydrogen 2.864 N/A ARG 332.A NE ASN 527.A O no hydrogen 2.735 N/A ARG 332.A NH1 ASP 335.A OD2 no hydrogen 2.997 N/A ARG 332.A NH2 ASN 527.A O no hydrogen 3.179 N/A SER 333.A N ILE 329.A O no hydrogen 2.845 N/A SER 334.A N TRP 330.A O no hydrogen 2.996 N/A SER 334.A OG TRP 330.A O no hydrogen 2.917 N/A ASP 335.A N VAL 331.A O no hydrogen 2.892 N/A PHE 336.A N ARG 332.A O no hydrogen 3.054 N/A HIS 337.A N SER 333.A O no hydrogen 3.285 N/A HIS 337.A ND1 HIS 393.A NE2 no hydrogen 3.065 N/A VAL 338.A N SER 334.A O no hydrogen 3.143 N/A HIS 339.A N ASP 335.A O no hydrogen 2.886 N/A HIS 339.A NE2 VAL 514.A O no hydrogen 2.509 N/A GLN 340.A N PHE 336.A O no hydrogen 2.970 N/A GLN 340.A NE2 HIS 339.A ND1 no hydrogen 3.131 N/A GLN 340.A NE2 GLN 518.A OE1 no hydrogen 2.733 N/A THR 341.A N HIS 337.A O no hydrogen 3.115 N/A THR 341.A OG1 HIS 337.A O no hydrogen 3.155 N/A ILE 342.A N VAL 338.A O no hydrogen 2.857 N/A THR 343.A N VAL 338.A O no hydrogen 3.126 N/A THR 343.A OG1 ASN 224.A OD1 no hydrogen 2.678 N/A HIS 344.A N HIS 339.A O no hydrogen 2.834 N/A LEU 345.A N GLN 340.A O no hydrogen 3.104 N/A LEU 346.A N THR 341.A O no hydrogen 3.074 N/A ARG 347.A N ILE 342.A O no hydrogen 2.877 N/A ARG 347.A NH1 ASP 403.A O no hydrogen 3.507 N/A ARG 347.A NH2 SER 408.A OG no hydrogen 2.599 N/A THR 348.A N HIS 344.A O no hydrogen 3.287 N/A THR 348.A OG1 THR 506.A O no hydrogen 2.938 N/A HIS 349.A N HIS 344.A O no hydrogen 3.355 N/A HIS 349.A ND1 ASN 384.A OD1 no hydrogen 2.999 N/A LEU 350.A N LEU 345.A O no hydrogen 3.010 N/A VAL 351.A N LEU 346.A O no hydrogen 3.255 N/A SER 352.A N THR 348.A O no hydrogen 3.090 N/A SER 352.A OG THR 348.A O no hydrogen 2.547 N/A GLU 353.A N HIS 349.A O no hydrogen 2.930 N/A VAL 354.A N LEU 350.A O no hydrogen 3.002 N/A PHE 355.A N VAL 351.A O no hydrogen 3.199 N/A GLY 356.A N SER 352.A O no hydrogen 2.901 N/A ILE 357.A N GLU 353.A O no hydrogen 2.886 N/A ALA 358.A N VAL 354.A O no hydrogen 3.066 N/A MET 359.A N PHE 355.A O no hydrogen 2.965 N/A TYR 360.A N GLY 356.A O no hydrogen 3.081 N/A ARG 361.A N ILE 357.A O no hydrogen 2.986 N/A ARG 361.A NE ASP 472.A OD2 no hydrogen 2.884 N/A ARG 361.A NH1 GLN 135.A O no hydrogen 3.350 N/A ARG 361.A NH1 TYR 138.A O no hydrogen 2.724 N/A GLN 362.A N ALA 358.A O no hydrogen 3.105 N/A GLN 362.A NE2 ASP 472.A OD1 no hydrogen 3.189 N/A GLN 362.A NE2 ASP 472.A OD2 no hydrogen 3.282 N/A LEU 363.A N MET 359.A O no hydrogen 2.894 N/A ALA 365.A N GLU 130.A OE1 no hydrogen 2.792 N/A HIS 367.A N PRO 364.A O no hydrogen 2.988 N/A HIS 367.A NE2 ASP 463.A OD2 no hydrogen 2.976 N/A ILE 369.A N HIS 367.A ND1 no hydrogen 2.927 N/A LYS 371.A N HIS 367.A O no hydrogen 3.102 N/A LYS 371.A NZ GLY 110.A O no hydrogen 3.368 N/A LYS 371.A NZ HIS 582.A O no hydrogen 2.770 N/A LEU 372.A N PRO 368.A O no hydrogen 2.963 N/A LEU 373.A N ILE 369.A O no hydrogen 2.911 N/A VAL 374.A N PHE 370.A O no hydrogen 2.911 N/A HIS 376.A N LEU 373.A O no hydrogen 2.756 N/A HIS 376.A ND1 ASN 627.A O no hydrogen 2.840 N/A HIS 376.A NE2 TYR 578.A OH no hydrogen 2.809 N/A VAL 377.A N LEU 373.A O no hydrogen 3.250 N/A ARG 378.A N VAL 374.A O no hydrogen 3.204 N/A ARG 378.A NH1 TYR 77.A OH no hydrogen 3.347 N/A ARG 378.A NH2 GLU 580.A OE2 no hydrogen 3.292 N/A THR 380.A N VAL 377.A O no hydrogen 3.172 N/A THR 380.A OG1 VAL 377.A O no hydrogen 2.931 N/A ILE 383.A N PHE 379.A O no hydrogen 3.272 N/A ASN 384.A N THR 380.A O no hydrogen 2.910 N/A ASN 384.A ND2 HIS 349.A O no hydrogen 3.122 N/A ASN 384.A ND2 GLU 353.A OE1 no hydrogen 2.864 N/A THR 385.A N ILE 381.A O no hydrogen 2.941 N/A THR 385.A OG1 ILE 381.A O no hydrogen 2.659 N/A LYS 386.A N ALA 382.A O no hydrogen 2.915 N/A LYS 386.A NZ HIS 156.A NE2 no hydrogen 3.180 N/A LYS 386.A NZ PHE 165.A O no hydrogen 2.605 N/A ALA 387.A N ILE 383.A O no hydrogen 3.036 N/A ARG 388.A N ASN 384.A O no hydrogen 2.952 N/A ARG 388.A NH1 GLU 353.A OE1 no hydrogen 2.877 N/A ARG 388.A NH2 GLU 353.A OE1 no hydrogen 3.308 N/A ARG 388.A NH2 GLU 353.A OE2 no hydrogen 2.808 N/A ARG 388.A NH2 THR 385.A OG1 no hydrogen 3.374 N/A GLU 389.A N THR 385.A O no hydrogen 2.867 N/A GLU 389.A N LYS 386.A O no hydrogen 3.340 N/A HIS 393.A NE2 HIS 337.A ND1 no hydrogen 3.065 N/A GLN 395.A N GLY 391.A O no hydrogen 3.018 N/A MET 396.A N GLY 392.A O no hydrogen 2.957 N/A VAL 397.A N HIS 393.A O no hydrogen 3.165 N/A GLN 398.A N VAL 394.A O no hydrogen 3.135 N/A GLN 398.A NE2 PRO 145.A O no hydrogen 2.898 N/A ARG 399.A N GLN 395.A O no hydrogen 2.947 N/A ARG 399.A NE LEU 271.A O no hydrogen 3.178 N/A ARG 399.A NH2 GLU 270.A O no hydrogen 3.214 N/A ALA 400.A N MET 396.A O no hydrogen 2.942 N/A ALA 400.A N VAL 397.A O no hydrogen 3.154 N/A MET 401.A N VAL 397.A O no hydrogen 3.073 N/A MET 401.A N GLN 398.A O no hydrogen 3.366 N/A LYS 402.A NZ ASP 403.A OD1 no hydrogen 3.537 N/A ASP 403.A N ALA 400.A O no hydrogen 2.830 N/A LEU 404.A N MET 401.A O no hydrogen 3.066 N/A THR 405.A N SER 408.A OG no hydrogen 3.289 N/A THR 405.A OG1 SER 408.A OG no hydrogen 3.289 N/A TYR 406.A N SER 484.A O no hydrogen 2.838 N/A SER 408.A N THR 405.A OG1 no hydrogen 3.139 N/A SER 408.A OG THR 405.A O no hydrogen 2.615 N/A SER 408.A OG THR 405.A OG1 no hydrogen 3.289 N/A LEU 409.A N TYR 406.A O no hydrogen 2.928 N/A CYS 410.A N TYR 406.A O no hydrogen 3.291 N/A CYS 410.A N ALA 407.A O no hydrogen 3.163 N/A CYS 410.A SG TYR 406.A O no hydrogen 3.460 N/A ALA 414.A N CYS 410.A O no hydrogen 2.808 N/A ILE 415.A N PHE 411.A O no hydrogen 2.946 N/A LYS 416.A N PRO 412.A O no hydrogen 3.178 N/A ALA 417.A N GLU 413.A O no hydrogen 3.018 N/A ARG 418.A N ILE 415.A O no hydrogen 3.245 N/A ARG 418.A NE ILE 228.A O no hydrogen 2.811 N/A ARG 418.A NH1 TYR 429.A OH no hydrogen 3.276 N/A ARG 418.A NH2 PRO 225.A O no hydrogen 3.485 N/A ARG 418.A NH2 ILE 228.A O no hydrogen 2.827 N/A ARG 418.A NH2 TYR 429.A OH no hydrogen 2.765 N/A GLY 419.A N LYS 416.A O no hydrogen 2.801 N/A MET 420.A N ILE 415.A O no hydrogen 3.077 N/A GLU 421.A N GLU 421.A OE1 no hydrogen 2.578 N/A LYS 423.A NZ PRO 427.A O no hydrogen 2.288 N/A LYS 423.A NZ ASP 433.A OD1 no hydrogen 2.500 N/A ASP 425.A N SER 422.A OG no hydrogen 3.144 N/A ILE 426.A N SER 422.A O no hydrogen 3.152 N/A TYR 429.A OH PRO 225.A O no hydrogen 2.497 N/A PHE 430.A N ASN 221.A OD1 no hydrogen 2.692 N/A TYR 431.A OH GLN 510.A OE1 no hydrogen 2.737 N/A ARG 432.A NE ASP 433.A OD2 no hydrogen 3.186 N/A ARG 432.A NH1 MET 420.A O no hydrogen 2.927 N/A ARG 432.A NH1 ILE 426.A O no hydrogen 2.968 N/A ARG 432.A NH2 ILE 426.A O no hydrogen 2.544 N/A ARG 432.A NH2 ASP 433.A OD2 no hydrogen 3.242 N/A ASP 433.A N TYR 429.A O no hydrogen 3.172 N/A ASP 434.A N PHE 430.A O no hydrogen 3.010 N/A GLY 435.A N TYR 431.A O no hydrogen 2.893 N/A LEU 436.A N ARG 432.A O no hydrogen 2.840 N/A LEU 437.A N ASP 433.A O no hydrogen 3.272 N/A VAL 438.A N ASP 434.A O no hydrogen 2.999 N/A TRP 439.A N GLY 435.A O no hydrogen 2.883 N/A GLU 440.A N LEU 436.A O no hydrogen 2.978 N/A ALA 441.A N LEU 437.A O no hydrogen 3.088 N/A ILE 442.A N VAL 438.A O no hydrogen 3.081 N/A ARG 443.A N TRP 439.A O no hydrogen 2.943 N/A THR 444.A N GLU 440.A O no hydrogen 2.952 N/A THR 444.A OG1 GLU 440.A O no hydrogen 3.127 N/A PHE 445.A N ALA 441.A O no hydrogen 3.033 N/A THR 446.A N ILE 442.A O no hydrogen 2.859 N/A THR 446.A OG1 ILE 442.A O no hydrogen 3.043 N/A THR 446.A OG1 ARG 443.A O no hydrogen 3.155 N/A THR 446.A OG1 SER 497.A O no hydrogen 3.264 N/A THR 446.A OG1 SER 497.A OG no hydrogen 3.129 N/A THR 446.A OG1 THR 501.A OG1 no hydrogen 2.989 N/A ALA 447.A N ARG 443.A O no hydrogen 3.098 N/A GLU 448.A N THR 444.A O no hydrogen 3.174 N/A VAL 449.A N PHE 445.A O no hydrogen 3.199 N/A VAL 450.A N THR 446.A O no hydrogen 2.844 N/A ASP 451.A N ALA 447.A O no hydrogen 2.951 N/A ILE 452.A N GLU 448.A O no hydrogen 3.074 N/A TYR 453.A N VAL 449.A O no hydrogen 3.394 N/A TYR 453.A N VAL 450.A O no hydrogen 3.193 N/A TYR 453.A OH GLU 585.A OE1 no hydrogen 2.592 N/A TYR 454.A N VAL 450.A O no hydrogen 2.700 N/A TYR 454.A OH ASP 463.A OD2 no hydrogen 2.702 N/A VAL 459.A N GLY 456.A O no hydrogen 3.093 N/A GLU 461.A N ASP 457.A O no hydrogen 3.073 N/A GLU 462.A N GLN 458.A O no hydrogen 3.107 N/A ASP 463.A N VAL 460.A O no hydrogen 3.120 N/A GLU 465.A N ASP 463.A OD1 no hydrogen 3.124 N/A LEU 466.A N ASP 463.A OD1 no hydrogen 3.213 N/A GLN 467.A N ASP 463.A O no hydrogen 3.098 N/A GLN 467.A NE2 VAL 460.A O no hydrogen 2.923 N/A GLN 467.A NE2 ASP 463.A O no hydrogen 3.691 N/A GLN 467.A NE2 VAL 490.A O no hydrogen 3.011 N/A ASP 468.A N PRO 464.A O no hydrogen 3.038 N/A PHE 469.A N GLU 465.A O no hydrogen 2.903 N/A VAL 470.A N LEU 466.A O no hydrogen 2.981 N/A ASN 471.A N GLN 467.A O no hydrogen 2.900 N/A ASN 471.A ND2 LYS 488.A O no hydrogen 3.648 N/A ASP 472.A N ASP 468.A O no hydrogen 2.768 N/A VAL 473.A N PHE 469.A O no hydrogen 3.203 N/A TYR 474.A N VAL 470.A O no hydrogen 3.092 N/A VAL 475.A N ASN 471.A O no hydrogen 2.831 N/A TYR 476.A N ASP 472.A O no hydrogen 2.968 N/A GLY 477.A N ASP 472.A O no hydrogen 3.242 N/A MET 478.A N VAL 473.A O no hydrogen 2.869 N/A ARG 479.A N TYR 476.A O no hydrogen 3.147 N/A ARG 479.A NH1 PHE 147.A O no hydrogen 2.636 N/A GLY 480.A N TYR 474.A O no hydrogen 2.857 N/A ARG 481.A N MET 478.A O no hydrogen 3.174 N/A SER 484.A N ARG 481.A O no hydrogen 3.118 N/A SER 484.A OG ARG 481.A O no hydrogen 2.694 N/A GLY 485.A N LYS 482.A O no hydrogen 3.432 N/A VAL 490.A N GLN 467.A OE1 no hydrogen 3.235 N/A LYS 491.A N GLN 495.A OE1 no hydrogen 2.998 N/A LYS 491.A NZ GLU 461.A OE2 no hydrogen 3.379 N/A ARG 493.A N ASP 457.A OD1 no hydrogen 3.266 N/A ARG 493.A NH1 TYR 454.A O no hydrogen 2.955 N/A GLN 495.A N SER 492.A OG no hydrogen 3.106 N/A LEU 496.A N SER 492.A O no hydrogen 2.972 N/A SER 497.A N ARG 493.A O no hydrogen 2.830 N/A SER 497.A OG THR 446.A OG1 no hydrogen 3.129 N/A GLU 498.A N GLU 494.A O no hydrogen 2.945 N/A TYR 499.A N GLN 495.A O no hydrogen 3.026 N/A LEU 500.A N LEU 496.A O no hydrogen 2.927 N/A THR 501.A N SER 497.A O no hydrogen 3.014 N/A THR 501.A OG1 THR 446.A OG1 no hydrogen 2.989 N/A THR 501.A OG1 SER 497.A O no hydrogen 2.862 N/A VAL 502.A N GLU 498.A O no hydrogen 2.939 N/A VAL 503.A N TYR 499.A O no hydrogen 3.212 N/A ILE 504.A N LEU 500.A O no hydrogen 3.007 N/A PHE 505.A N THR 501.A O no hydrogen 2.794 N/A THR 506.A N VAL 502.A O no hydrogen 3.104 N/A THR 506.A OG1 VAL 502.A O no hydrogen 2.554 N/A ALA 507.A N VAL 503.A O no hydrogen 3.241 N/A SER 508.A N ILE 504.A O no hydrogen 2.958 N/A SER 508.A OG ILE 504.A O no hydrogen 2.705 N/A ALA 509.A N SER 508.A OG no hydrogen 2.634 N/A GLN 510.A N PHE 505.A O no hydrogen 2.836 N/A ALA 512.A N SER 508.A O no hydrogen 2.956 N/A ALA 513.A N ALA 509.A O no hydrogen 3.062 N/A VAL 514.A N GLN 510.A O no hydrogen 3.224 N/A ASN 515.A N ALA 512.A O no hydrogen 3.371 N/A PHE 516.A N ALA 512.A O no hydrogen 3.001 N/A GLN 518.A N ASN 515.A O no hydrogen 3.237 N/A GLN 518.A NE2 ASN 515.A O no hydrogen 2.718 N/A TYR 519.A OH ILE 197.A O no hydrogen 3.224 N/A TRP 521.A N GLY 517.A O no hydrogen 3.097 N/A ALA 522.A N GLN 518.A O no hydrogen 2.927 N/A SER 523.A N TYR 519.A O no hydrogen 3.273 N/A SER 523.A OG TYR 519.A O no hydrogen 2.820 N/A ASN 527.A N TRP 524.A O no hydrogen 2.922 N/A ASN 527.A ND2 GLN 218.A OE1 no hydrogen 2.829 N/A ASN 527.A ND2 TRP 521.A O no hydrogen 2.839 N/A ALA 528.A N ILE 525.A O no hydrogen 2.634 N/A THR 531.A OG1 GLN 280.A OE1 no hydrogen 3.104 N/A MET 532.A N GLN 280.A OE1 no hydrogen 3.293 N/A ARG 533.A N THR 551.A O no hydrogen 2.724 N/A ARG 533.A NE LEU 552.A O no hydrogen 2.904 N/A ARG 533.A NH2 VAL 549.A O no hydrogen 3.246 N/A ARG 533.A NH2 LEU 552.A O no hydrogen 2.916 N/A LYS 540.A NZ ILE 314.A O no hydrogen 2.855 N/A LYS 540.A NZ ASP 319.A OD1 no hydrogen 2.900 N/A LYS 540.A NZ ASP 319.A OD2 no hydrogen 2.701 N/A GLY 541.A N ASP 323.A OD2 no hydrogen 2.483 N/A THR 544.A OG1 GLU 546.A OE1 no hydrogen 2.847 N/A ILE 548.A N THR 544.A O no hydrogen 3.227 N/A VAL 549.A N ILE 545.A O no hydrogen 3.085 N/A ASP 550.A N GLU 546.A O no hydrogen 2.933 N/A THR 551.A N GLN 547.A O no hydrogen 2.881 N/A THR 551.A N ILE 548.A O no hydrogen 3.249 N/A THR 551.A OG1 GLN 547.A O no hydrogen 2.727 N/A LEU 552.A N ILE 548.A O no hydrogen 3.002 N/A GLY 556.A N ASP 554.A OD2 no hydrogen 2.974 N/A ARG 557.A N ASP 554.A OD2 no hydrogen 3.164 N/A SER 558.A N ASP 554.A O no hydrogen 2.860 N/A SER 558.A OG ASP 554.A O no hydrogen 2.822 N/A CYS 559.A N GLY 556.A O no hydrogen 2.984 N/A CYS 559.A SG ASP 186.A O no hydrogen 3.824 N/A CYS 559.A SG PHE 187.A O no hydrogen 3.313 N/A CYS 559.A SG ARG 555.A O no hydrogen 3.906 N/A TRP 560.A N ARG 557.A O no hydrogen 3.057 N/A TRP 560.A NE1 TYR 172.A OH no hydrogen 2.915 N/A LEU 562.A N SER 558.A O no hydrogen 2.799 N/A GLY 563.A N CYS 559.A O no hydrogen 2.680 N/A ALA 564.A N TRP 560.A O no hydrogen 3.022 N/A VAL 565.A N HIS 561.A O no hydrogen 3.326 N/A TRP 566.A N LEU 562.A O no hydrogen 2.916 N/A ALA 567.A N GLY 563.A O no hydrogen 2.727 N/A LEU 568.A N ALA 564.A O no hydrogen 3.060 N/A SER 569.A N VAL 565.A O no hydrogen 3.164 N/A GLN 570.A N TRP 566.A O no hydrogen 3.181 N/A LEU 575.A N ILE 625.A O no hydrogen 2.562 N/A MET 577.A N PHE 574.A O no hydrogen 2.842 N/A TYR 578.A OH HIS 376.A NE2 no hydrogen 2.809 N/A GLU 581.A N TYR 96.A OH no hydrogen 2.975 N/A HIS 582.A N GLU 580.A O no hydrogen 3.197 N/A LYS 589.A N GLU 585.A O no hydrogen 3.054 N/A GLU 590.A N LYS 586.A O no hydrogen 2.930 N/A GLU 590.A N PRO 587.A O no hydrogen 3.228 N/A ALA 591.A N PRO 587.A O no hydrogen 3.140 N/A MET 592.A N VAL 588.A O no hydrogen 2.961 N/A ALA 593.A N LYS 589.A O no hydrogen 3.138 N/A ARG 594.A N GLU 590.A O no hydrogen 3.022 N/A ARG 594.A NE GLU 448.A OE1 no hydrogen 2.962 N/A ARG 594.A NH2 GLU 448.A OE1 no hydrogen 2.665 N/A PHE 595.A N ALA 591.A O no hydrogen 2.868 N/A ARG 596.A N MET 592.A O no hydrogen 3.047 N/A ARG 596.A NH1 GLY 576.A O no hydrogen 2.804 N/A LYS 597.A N ALA 593.A O no hydrogen 3.097 N/A LYS 597.A NZ ALA 593.A O no hydrogen 3.218 N/A ASN 598.A N ARG 594.A O no hydrogen 3.006 N/A LEU 599.A N PHE 595.A O no hydrogen 3.027 N/A GLU 600.A N ARG 596.A O no hydrogen 2.987 N/A ALA 601.A N LYS 597.A O no hydrogen 3.132 N/A ILE 602.A N ASN 598.A O no hydrogen 3.209 N/A VAL 603.A N LEU 599.A O no hydrogen 2.873 N/A SER 604.A N GLU 600.A O no hydrogen 3.114 N/A SER 604.A OG GLU 600.A O no hydrogen 3.464 N/A VAL 605.A N ALA 601.A O no hydrogen 3.050 N/A ILE 606.A N ILE 602.A O no hydrogen 2.953 N/A ALA 607.A N VAL 603.A O no hydrogen 2.942 N/A GLU 608.A N SER 604.A O no hydrogen 2.998 N/A ARG 609.A N VAL 605.A O no hydrogen 3.158 N/A ARG 609.A NE ASN 610.A OD1 no hydrogen 3.091 N/A ARG 609.A NH1 ASP 434.A OD1 no hydrogen 3.221 N/A ARG 609.A NH2 ASP 434.A OD1 no hydrogen 3.518 N/A ARG 609.A NH2 ASP 434.A OD2 no hydrogen 2.744 N/A ARG 609.A NH2 ASN 610.A OD1 no hydrogen 3.313 N/A ARG 609.A NH2 TYR 617.A O no hydrogen 3.311 N/A ASN 610.A N ILE 606.A O no hydrogen 2.802 N/A ASN 610.A ND2 TYR 617.A O no hydrogen 2.987 N/A GLU 611.A N ALA 607.A O no hydrogen 3.307 N/A ASN 612.A N ARG 609.A O no hydrogen 3.284 N/A LEU 613.A N ASN 610.A O no hydrogen 3.272 N/A TYR 617.A N ASN 610.A OD1 no hydrogen 2.976 N/A TYR 619.A OH ASP 520.A OD2 no hydrogen 2.586 N/A ASP 621.A N TYR 618.A O.A no hydrogen 3.261 N/A ASP 621.A N TYR 618.A O.B no hydrogen 2.824 N/A ASP 623.A N ASP 621.A OD1 no hydrogen 2.649 N/A ARG 624.A N ASP 621.A O no hydrogen 2.572 N/A ILE 625.A N PRO 622.A O no hydrogen 3.230 N/A ASN 627.A N LEU 573.A O no hydrogen 3.059 N/A ASN 627.A ND2 MET 577.A O no hydrogen 2.751 N/A ALA 630.A N SER 628.A OG no hydrogen 3.413 N/A