Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ubm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N SER 2.A OG no hydrogen 3.373 N/A LYS 6.A N SER 2.A O no hydrogen 3.111 N/A LYS 6.A NZ THR 98.A O no hydrogen 3.174 N/A LEU 7.A N LEU 3.A O no hydrogen 3.368 N/A LYS 8.A N MET 4.A O no hydrogen 2.926 N/A TRP 9.A N GLU 5.A O no hydrogen 2.965 N/A LYS 10.A N LYS 6.A O no hydrogen 3.011 N/A ILE 11.A N LEU 7.A O no hydrogen 3.197 N/A LYS 12.A N LYS 8.A O no hydrogen 3.172 N/A CYS 13.A N TRP 9.A O no hydrogen 2.880 N/A CYS 13.A SG TRP 9.A O no hydrogen 3.308 N/A CYS 13.A SG GLN 478.A OE1 no hydrogen 3.967 N/A ILE 14.A N LYS 10.A O no hydrogen 3.239 N/A ILE 14.A N ILE 11.A O no hydrogen 3.113 N/A GLU 15.A N ILE 11.A O no hydrogen 2.877 N/A ASN 16.A N LYS 12.A O no hydrogen 2.825 N/A PHE 18.A N ILE 14.A O no hydrogen 3.315 N/A LEU 19.A N GLU 15.A O no hydrogen 2.873 N/A ASN 20.A N ASN 16.A O no hydrogen 2.852 N/A TYR 21.A N LYS 17.A O no hydrogen 3.051 N/A ARG 22.A N PHE 18.A O no hydrogen 2.883 N/A LEU 23.A N LEU 19.A O no hydrogen 2.732 N/A THR 24.A N TYR 21.A O no hydrogen 3.227 N/A THR 24.A OG1 ASN 20.A O no hydrogen 2.376 N/A THR 24.A OG1 TYR 21.A O no hydrogen 3.077 N/A THR 25.A N LYS 42.A O no hydrogen 3.107 N/A THR 25.A OG1 LYS 42.A O no hydrogen 2.850 N/A GLU 27.A N THR 25.A OG1 no hydrogen 3.098 N/A THR 28.A N ASN 26.A O no hydrogen 3.012 N/A VAL 29.A N GLY 40.A O no hydrogen 2.968 N/A ALA 31.A N VAL 38.A O no hydrogen 2.872 N/A THR 33.A N GLY 36.A O no hydrogen 3.027 N/A THR 33.A OG1 GLY 36.A O no hydrogen 2.693 N/A GLU 34.A N ASN 197.A OD1 no hydrogen 2.762 N/A TYR 35.A N THR 33.A OG1 no hydrogen 2.943 N/A GLY 36.A N THR 33.A O no hydrogen 3.277 N/A VAL 38.A N ALA 31.A O no hydrogen 2.867 N/A LYS 39.A N ARG 82.A O no hydrogen 2.832 N/A GLY 40.A N VAL 29.A O no hydrogen 2.752 N/A VAL 41.A N SER 53.A O no hydrogen 2.986 N/A LYS 42.A N GLU 27.A O no hydrogen 3.204 N/A LYS 42.A NZ GLU 27.A OE1 no hydrogen 3.048 N/A LYS 42.A NZ TYR 52.A OH no hydrogen 3.329 N/A ARG 43.A N TYR 51.A O no hydrogen 2.895 N/A ARG 43.A NE SER 53.A OG no hydrogen 2.960 N/A LEU 44.A N LEU 23.A O no hydrogen 2.592 N/A THR 45.A N ASP 49.A O no hydrogen 3.096 N/A TYR 47.A N THR 45.A OG1 no hydrogen 3.096 N/A ASP 48.A N THR 45.A O no hydrogen 3.164 N/A ASP 49.A N THR 45.A OG1 no hydrogen 3.321 N/A TYR 51.A N ARG 43.A O no hydrogen 3.108 N/A TYR 52.A N THR 114.A O no hydrogen 2.615 N/A TYR 52.A OH GLU 27.A OE2 no hydrogen 3.133 N/A SER 53.A N VAL 41.A O no hydrogen 2.842 N/A PHE 54.A N VAL 112.A O no hydrogen 2.894 N/A GLU 55.A N CYS 84.A O no hydrogen 2.937 N/A ILE 57.A N LEU 110.A O no hydrogen 3.072 N/A TYR 59.A N LEU 108.A O no hydrogen 3.386 N/A TYR 59.A OH GLN 160.A O no hydrogen 2.402 N/A GLN 61.A N GLN 73.A O no hydrogen 2.782 N/A LEU 67.A N VAL 64.A O no hydrogen 3.073 N/A ARG 68.A N GLY 65.A O no hydrogen 3.388 N/A ARG 68.A NE GLU 105.A OE2 no hydrogen 2.719 N/A ARG 68.A NH1 LEU 278.A O no hydrogen 2.931 N/A ARG 68.A NH1 ALA 281.A O no hydrogen 2.662 N/A ARG 68.A NH2 GLU 105.A OE1 no hydrogen 2.756 N/A ARG 68.A NH2 GLU 105.A OE2 no hydrogen 3.381 N/A ARG 68.A NH2 ALA 281.A O no hydrogen 3.274 N/A LYS 70.A N LEU 67.A O no hydrogen 2.817 N/A LYS 70.A NZ GLU 66.A O no hydrogen 3.202 N/A TRP 78.A N TYR 35.A O no hydrogen 3.127 N/A TRP 78.A NE1 LYS 37.A O no hydrogen 2.986 N/A ARG 82.A N LYS 37.A O no hydrogen 2.879 N/A CYS 84.A N LYS 39.A O no hydrogen 2.894 N/A CYS 84.A SG ARG 82.A O no hydrogen 3.954 N/A CYS 85.A N ASP 83.A OD1 no hydrogen 3.067 N/A CYS 85.A SG LYS 39.A O no hydrogen 3.396 N/A HIS 87.A ND1 LYS 88.A O no hydrogen 3.140 N/A LYS 90.A N ASP 89.A OD1 no hydrogen 2.806 N/A LYS 90.A NZ GLU 138.A OE1 no hydrogen 2.614 N/A GLN 93.A N CYS 102.A O no hydrogen 3.120 N/A GLN 93.A NE2 SER 91.A O no hydrogen 2.905 N/A GLN 93.A NE2 GLY 137.A O no hydrogen 2.905 N/A ASP 95.A N LYS 100.A O no hydrogen 2.868 N/A ILE 97.A N ASP 95.A OD1 no hydrogen 2.769 N/A THR 98.A N ASP 95.A OD1 no hydrogen 3.165 N/A GLY 99.A N ASP 95.A O no hydrogen 2.697 N/A LYS 100.A N THR 98.A OG1 no hydrogen 2.672 N/A CYS 102.A N GLN 93.A O no hydrogen 3.100 N/A CYS 102.A SG GLN 93.A O no hydrogen 3.998 N/A SER 104.A N LYS 90.A O no hydrogen 2.945 N/A SER 104.A OG ASP 106.A O no hydrogen 3.478 N/A ASP 106.A N SER 104.A OG no hydrogen 2.818 N/A CYS 107.A SG GLU 105.A O no hydrogen 3.750 N/A TYR 109.A N CYS 107.A O no hydrogen 3.090 N/A TYR 109.A OH ASP 106.A OD1 no hydrogen 2.539 N/A TYR 109.A OH ASP 106.A OD2 no hydrogen 3.147 N/A LEU 110.A N ILE 57.A O no hydrogen 2.932 N/A SER 111.A N ASN 158.A O no hydrogen 2.928 N/A VAL 112.A N PHE 54.A O no hydrogen 2.744 N/A TYR 113.A N LEU 156.A O no hydrogen 2.841 N/A THR 114.A N TYR 52.A O no hydrogen 3.220 N/A THR 114.A OG1 ASN 116.A O no hydrogen 3.193 N/A THR 114.A OG1 VAL 154.A O no hydrogen 3.569 N/A ASN 115.A ND2 ILE 150.A O no hydrogen 2.903 N/A ASN 115.A ND2 ASP 153.A OD1 no hydrogen 3.035 N/A ASN 116.A N THR 114.A OG1 no hydrogen 3.330 N/A ASN 118.A N ASN 116.A OD1 no hydrogen 3.063 N/A LYS 122.A NZ ALA 199.A O no hydrogen 3.018 N/A ARG 123.A N GLY 202.A O no hydrogen 2.954 N/A ARG 123.A NH1 ASN 115.A OD1 no hydrogen 2.843 N/A ARG 123.A NH1 VAL 154.A O no hydrogen 3.303 N/A ARG 123.A NH2 ASN 115.A OD1 no hydrogen 2.386 N/A VAL 125.A N ASN 207.A O no hydrogen 2.979 N/A LEU 126.A N VAL 155.A O no hydrogen 2.841 N/A VAL 127.A N THR 209.A O no hydrogen 2.648 N/A TYR 128.A N ILE 157.A O no hydrogen 2.727 N/A ILE 129.A N PHE 211.A O no hydrogen 2.835 N/A HIS 130.A ND1 GLY 131.A O no hydrogen 2.867 N/A ILE 135.A N GLY 132.A O no hydrogen 2.735 N/A ILE 136.A N GLY 132.A O no hydrogen 2.914 N/A GLY 137.A N GLN 93.A OE1 no hydrogen 3.160 N/A ASN 139.A N GLN 160.A OE1 no hydrogen 3.220 N/A ASN 139.A ND2 ASN 158.A O no hydrogen 2.977 N/A ARG 141.A NE GLU 55.A OE1 no hydrogen 3.278 N/A ARG 141.A NE GLU 55.A OE2 no hydrogen 3.352 N/A ARG 141.A NH1 ASN 20.A OD1 no hydrogen 3.306 N/A ARG 141.A NH2 ASN 20.A OD1 no hydrogen 2.475 N/A MET 143.A N HIS 140.A O no hydrogen 3.214 N/A TYR 144.A N HIS 140.A O no hydrogen 2.891 N/A GLY 145.A N TRP 476.A O no hydrogen 2.660 N/A ILE 150.A N PRO 146.A O no hydrogen 3.105 N/A LYS 151.A NZ ASP 49.A OD2 no hydrogen 2.212 N/A LYS 152.A N PHE 149.A O no hydrogen 2.925 N/A VAL 155.A N PRO 124.A O no hydrogen 3.096 N/A LEU 156.A N TYR 113.A O no hydrogen 2.938 N/A ILE 157.A N LEU 126.A O no hydrogen 2.746 N/A ASN 158.A N SER 111.A O no hydrogen 3.006 N/A ILE 159.A N TYR 128.A O no hydrogen 3.326 N/A GLN 160.A N TYR 109.A O no hydrogen 3.147 N/A GLN 160.A NE2 ASP 89.A O no hydrogen 3.159 N/A GLN 160.A NE2 CYS 107.A O no hydrogen 2.663 N/A TYR 161.A OH HIS 130.A O no hydrogen 2.935 N/A ARG 162.A N ASP 186.A OD2 no hydrogen 3.014 N/A ARG 162.A NE ASP 186.A OD2 no hydrogen 2.908 N/A ARG 162.A NH1 LYS 70.A O no hydrogen 2.703 N/A ARG 162.A NH2 LYS 70.A O no hydrogen 2.980 N/A ARG 162.A NH2 ASP 186.A OD1 no hydrogen 2.829 N/A ARG 162.A NH2 ASP 186.A OD2 no hydrogen 3.563 N/A LEU 163.A N SER 91.A OG no hydrogen 3.075 N/A GLY 164.A N PHE 134.A O no hydrogen 2.706 N/A ALA 165.A N GLU 290.A OE1 no hydrogen 3.106 N/A GLY 167.A N LEU 163.A O no hydrogen 2.821 N/A GLY 167.A N GLY 164.A O no hydrogen 2.848 N/A PHE 168.A N GLY 164.A O no hydrogen 2.759 N/A LEU 169.A N ALA 165.A O no hydrogen 3.159 N/A SER 170.A OG PRO 179.A O no hydrogen 2.861 N/A LEU 171.A N VAL 178.A O no hydrogen 2.829 N/A SER 173.A N ASP 271.A OD2 no hydrogen 2.965 N/A LEU 176.A N SER 173.A O no hydrogen 3.311 N/A ASN 181.A ND2 THR 310.A O no hydrogen 2.772 N/A ASN 181.A ND2 GLU 312.A OE2 no hydrogen 2.695 N/A GLY 183.A N GLY 167.A O no hydrogen 2.715 N/A LEU 184.A N ASN 181.A O no hydrogen 3.154 N/A LYS 185.A N ASN 181.A O no hydrogen 3.064 N/A LYS 185.A NZ GLY 180.A O no hydrogen 3.177 N/A LYS 185.A NZ GLU 312.A OE1 no hydrogen 2.840 N/A ASP 186.A N ALA 182.A O no hydrogen 2.897 N/A GLN 187.A N GLY 183.A O no hydrogen 3.305 N/A GLN 187.A NE2 SER 219.A OG no hydrogen 3.067 N/A VAL 188.A N LEU 184.A O no hydrogen 2.998 N/A MET 189.A N LYS 185.A O no hydrogen 3.108 N/A ALA 190.A N ASP 186.A O no hydrogen 2.948 N/A LEU 191.A N GLN 187.A O no hydrogen 3.017 N/A ARG 192.A N VAL 188.A O no hydrogen 2.985 N/A ARG 192.A NH2 GLN 228.A O no hydrogen 2.960 N/A ARG 192.A NH2 GLN 228.A OE1 no hydrogen 3.176 N/A TRP 193.A N MET 189.A O no hydrogen 3.042 N/A ILE 194.A N ALA 190.A O no hydrogen 2.976 N/A LYS 195.A N LEU 191.A O no hydrogen 2.864 N/A LYS 195.A NZ PRO 205.A O no hydrogen 2.794 N/A ASN 196.A N ARG 192.A O no hydrogen 3.222 N/A ASN 196.A ND2 GLU 34.A OE1 no hydrogen 3.485 N/A ASN 196.A ND2 GLU 34.A OE2 no hydrogen 3.555 N/A ASN 197.A ND2 TRP 193.A O no hydrogen 2.942 N/A CYS 198.A N ILE 194.A O no hydrogen 3.085 N/A ASN 200.A N ASN 197.A O no hydrogen 3.144 N/A PHE 201.A N CYS 198.A O no hydrogen 2.840 N/A GLY 202.A N ALA 199.A O no hydrogen 2.996 N/A GLY 203.A N CYS 198.A O no hydrogen 3.003 N/A ASN 204.A N ARG 123.A O no hydrogen 2.555 N/A ASP 206.A N ASN 204.A OD1 no hydrogen 3.191 N/A ASN 207.A N ASN 204.A O no hydrogen 3.008 N/A ASN 207.A ND2 ALA 504.A O no hydrogen 3.307 N/A ASN 207.A ND2 THR 505.A O no hydrogen 3.398 N/A ILE 208.A N HIS 234.A ND1 no hydrogen 2.932 N/A THR 209.A N VAL 125.A O no hydrogen 2.588 N/A VAL 210.A N ARG 235.A O no hydrogen 3.159 N/A PHE 211.A N VAL 127.A O no hydrogen 2.893 N/A GLY 212.A N ILE 237.A O no hydrogen 3.429 N/A SER 214.A N MET 239.A O no hydrogen 3.042 N/A SER 214.A OG HIS 467.A NE2 no hydrogen 2.947 N/A GLY 216.A N GLU 213.A O no hydrogen 2.838 N/A ALA 218.A N SER 214.A O no hydrogen 3.162 N/A SER 219.A N ALA 215.A O no hydrogen 2.922 N/A SER 219.A OG ALA 215.A O no hydrogen 2.728 N/A THR 220.A N GLY 216.A O no hydrogen 2.836 N/A THR 220.A OG1 GLY 216.A O no hydrogen 2.689 N/A HIS 221.A N ALA 217.A O no hydrogen 2.761 N/A TYR 222.A N ALA 218.A O no hydrogen 2.781 N/A TYR 222.A OH ALA 248.A O no hydrogen 2.353 N/A MET 223.A N SER 219.A O no hydrogen 2.840 N/A MET 224.A N THR 220.A O no hydrogen 3.110 N/A MET 224.A N HIS 221.A O no hydrogen 2.839 N/A LEU 225.A N HIS 221.A O no hydrogen 2.819 N/A LEU 225.A N TYR 222.A O no hydrogen 3.170 N/A THR 226.A N TYR 222.A O no hydrogen 3.003 N/A THR 226.A OG1 VAL 320.A O no hydrogen 3.085 N/A GLN 228.A N THR 226.A OG1 no hydrogen 3.318 N/A GLN 228.A NE2 ALA 317.A O no hydrogen 3.089 N/A GLN 228.A NE2 CYS 319.A O no hydrogen 2.942 N/A THR 229.A OG1 MET 223.A O no hydrogen 2.404 N/A THR 229.A OG1 THR 226.A O no hydrogen 3.149 N/A ARG 230.A N GLU 227.A O no hydrogen 3.200 N/A ARG 230.A NE GLU 227.A OE1 no hydrogen 3.146 N/A LEU 232.A N THR 229.A O no hydrogen 2.897 N/A HIS 234.A N ILE 208.A O no hydrogen 2.902 N/A ARG 235.A N ILE 208.A O no hydrogen 3.348 N/A ARG 235.A NE ALA 504.A O no hydrogen 2.713 N/A ARG 235.A NH1 THR 505.A O no hydrogen 2.992 N/A ARG 235.A NH2 HIS 234.A O no hydrogen 3.404 N/A GLY 236.A N PRO 338.A O no hydrogen 3.102 N/A ILE 237.A N VAL 210.A O no hydrogen 3.102 N/A LEU 238.A N MET 340.A O no hydrogen 2.771 N/A MET 239.A N GLY 212.A O no hydrogen 3.122 N/A SER 240.A N GLY 342.A O no hydrogen 2.795 N/A SER 240.A OG GLU 347.A OE1 no hydrogen 3.529 N/A SER 240.A OG GLU 347.A OE2 no hydrogen 2.523 N/A ALA 243.A N HIS 221.A ND1 no hydrogen 2.843 N/A ILE 244.A N ASN 242.A OD1 no hydrogen 2.893 N/A CYS 245.A SG ASN 242.A O no hydrogen 3.521 N/A CYS 245.A SG TYR 416.A O no hydrogen 3.512 N/A TRP 247.A NE1 TYR 416.A O no hydrogen 3.021 N/A ALA 248.A N CYS 245.A O no hydrogen 3.178 N/A THR 250.A N PRO 309.A O no hydrogen 2.882 N/A GLN 251.A NE2 VAL 311.A O no hydrogen 3.526 N/A CYS 252.A SG PHE 168.A O no hydrogen 3.785 N/A GLN 253.A NE2 SER 170.A OG no hydrogen 2.399 N/A ARG 255.A N CYS 252.A O no hydrogen 2.998 N/A ARG 255.A NE GLU 298.A OE2 no hydrogen 3.057 N/A ARG 255.A NH1 THR 250.A OG1 no hydrogen 2.756 N/A ARG 255.A NH1 PRO 306.A O no hydrogen 2.987 N/A ARG 255.A NH2 GLU 298.A OE2 no hydrogen 2.986 N/A LEU 259.A N ARG 255.A O no hydrogen 2.942 N/A ALA 260.A N ALA 256.A O no hydrogen 2.735 N/A LYS 261.A N PHE 257.A O no hydrogen 2.793 N/A LYS 261.A NZ TYR 265.A O no hydrogen 3.512 N/A LEU 262.A N THR 258.A O no hydrogen 3.057 N/A ALA 263.A N LEU 259.A O no hydrogen 3.119 N/A ALA 263.A N ALA 260.A O no hydrogen 3.056 N/A GLY 264.A N LYS 261.A O no hydrogen 3.324 N/A TYR 265.A N ALA 260.A O no hydrogen 3.063 N/A TYR 265.A OH GLU 268.A O no hydrogen 2.822 N/A ASN 270.A ND2 ASP 273.A OD2 no hydrogen 2.841 N/A ASP 273.A N ASN 270.A OD1 no hydrogen 2.992 N/A VAL 274.A N ASN 270.A O no hydrogen 3.099 N/A LEU 275.A N ASP 271.A O no hydrogen 2.679 N/A GLU 276.A N LYS 272.A O no hydrogen 3.068 N/A PHE 277.A N ASP 273.A O no hydrogen 3.361 N/A LEU 278.A N VAL 274.A O no hydrogen 3.054 N/A MET 279.A N LEU 275.A O no hydrogen 2.780 N/A LYS 280.A N PHE 277.A O no hydrogen 2.911 N/A ALA 281.A N PHE 277.A O no hydrogen 3.075 N/A GLN 284.A N GLN 284.A OE1 no hydrogen 2.784 N/A ASP 285.A N LYS 282.A O no hydrogen 3.190 N/A LEU 286.A N LYS 282.A O no hydrogen 3.503 N/A ILE 287.A N PRO 283.A O no hydrogen 3.252 N/A LEU 289.A N LEU 286.A O no hydrogen 3.309 N/A LYS 292.A N LEU 289.A O no hydrogen 2.883 N/A VAL 293.A N GLU 290.A O no hydrogen 3.029 N/A THR 295.A N GLU 298.A OE1 no hydrogen 2.766 N/A THR 295.A OG1 GLU 297.A OE1 no hydrogen 3.497 N/A THR 295.A OG1 GLU 298.A OE1 no hydrogen 3.176 N/A GLU 297.A N GLU 297.A OE1 no hydrogen 2.828 N/A GLU 298.A N THR 295.A OG1 no hydrogen 3.246 N/A ARG 299.A N THR 295.A O no hydrogen 3.125 N/A ARG 299.A NE LEU 294.A O no hydrogen 3.254 N/A ARG 299.A NH2 GLU 291.A O no hydrogen 2.877 N/A ARG 299.A NH2 LEU 294.A O no hydrogen 3.197 N/A THR 300.A N LEU 296.A O no hydrogen 3.069 N/A THR 300.A OG1 LEU 296.A O no hydrogen 2.934 N/A ASN 301.A N GLU 297.A O no hydrogen 2.862 N/A ASN 301.A ND2 GLU 297.A O no hydrogen 2.889 N/A LYS 302.A N ARG 299.A O no hydrogen 3.008 N/A LYS 302.A NZ GLU 364.A OE1 no hydrogen 2.708 N/A VAL 303.A N GLU 298.A O no hydrogen 2.890 N/A THR 310.A N ASN 181.A OD1 no hydrogen 2.736 N/A THR 310.A OG1 THR 250.A O no hydrogen 2.402 N/A THR 310.A OG1 GLN 251.A OE1 no hydrogen 2.980 N/A VAL 311.A N GLN 251.A OE1 no hydrogen 3.109 N/A GLU 312.A N LEU 321.A O no hydrogen 2.900 N/A CYS 319.A N THR 316.A O no hydrogen 3.364 N/A CYS 319.A SG GLU 312.A OE1 no hydrogen 3.594 N/A VAL 320.A N GLU 312.A OE2 no hydrogen 2.930 N/A LEU 321.A N GLU 312.A OE2 no hydrogen 3.051 N/A ARG 326.A NE PHE 566.A O no hydrogen 3.169 N/A ARG 326.A NH2 ASP 564.A O no hydrogen 3.570 N/A GLU 327.A N HIS 324.A O no hydrogen 2.707 N/A MET 328.A N HIS 324.A O no hydrogen 3.235 N/A VAL 329.A N PRO 325.A O no hydrogen 3.039 N/A LYS 330.A N GLU 327.A O no hydrogen 3.288 N/A LYS 330.A NZ GLU 327.A OE1 no hydrogen 3.495 N/A LYS 330.A NZ GLU 327.A OE2 no hydrogen 3.165 N/A THR 331.A N MET 328.A O no hydrogen 3.165 N/A THR 331.A OG1 MET 328.A O no hydrogen 3.336 N/A ALA 332.A N MET 328.A O no hydrogen 3.021 N/A TRP 333.A NE1 THR 226.A O no hydrogen 2.983 N/A GLY 334.A N MET 224.A O no hydrogen 3.053 N/A ASN 335.A N ALA 332.A O no hydrogen 3.178 N/A ASN 335.A ND2 VAL 329.A O no hydrogen 2.581 N/A ASN 335.A ND2 HIS 431.A O no hydrogen 3.401 N/A SER 336.A N TRP 333.A O no hydrogen 3.063 N/A SER 336.A OG SER 433.A OG no hydrogen 3.038 N/A ILE 337.A N GLY 334.A O no hydrogen 3.198 N/A THR 339.A N PRO 436.A O no hydrogen 3.150 N/A THR 339.A OG1 ILE 337.A O no hydrogen 3.121 N/A MET 340.A N GLY 236.A O no hydrogen 2.903 N/A MET 341.A N TYR 438.A O no hydrogen 2.857 N/A GLY 342.A N LEU 238.A O no hydrogen 3.118 N/A THR 344.A N GLU 347.A OE2 no hydrogen 2.985 N/A THR 344.A OG1 VAL 465.A O no hydrogen 2.811 N/A SER 345.A N PHE 442.A O no hydrogen 2.926 N/A SER 345.A OG ASP 443.A OD1 no hydrogen 3.001 N/A TYR 346.A N VAL 465.A O no hydrogen 3.178 N/A TYR 346.A OH ASP 406.A OD1 no hydrogen 3.059 N/A GLY 348.A N SER 413.A OG no hydrogen 2.781 N/A LEU 349.A N TYR 346.A O no hydrogen 3.023 N/A PHE 350.A N GLU 347.A O no hydrogen 3.117 N/A PHE 351.A N GLY 348.A O no hydrogen 2.782 N/A THR 352.A N LEU 349.A O no hydrogen 3.392 N/A THR 352.A OG1 LEU 349.A O no hydrogen 3.484 N/A LEU 355.A N PHE 351.A O no hydrogen 3.069 N/A LYS 356.A N THR 352.A O no hydrogen 3.107 N/A LYS 356.A N SER 353.A O no hydrogen 3.028 N/A GLN 357.A N SER 353.A O no hydrogen 3.345 N/A GLN 357.A N ILE 354.A O no hydrogen 3.254 N/A MET 358.A N ILE 354.A O no hydrogen 2.858 N/A LEU 361.A N MET 358.A O no hydrogen 3.307 N/A VAL 362.A N PRO 359.A O no hydrogen 3.303 N/A LYS 363.A N LEU 360.A O no hydrogen 3.228 N/A GLU 364.A N LEU 361.A O no hydrogen 3.125 N/A LEU 365.A N VAL 362.A O no hydrogen 3.298 N/A GLU 366.A N LYS 363.A O no hydrogen 3.000 N/A CYS 368.A N GLU 364.A O no hydrogen 2.818 N/A CYS 368.A SG LEU 365.A O no hydrogen 3.387 N/A PHE 371.A N CYS 368.A O no hydrogen 3.128 N/A VAL 372.A N VAL 369.A O no hydrogen 3.179 N/A GLU 375.A N GLU 375.A OE1 no hydrogen 2.913 N/A LEU 376.A N PRO 373.A O no hydrogen 2.859 N/A ALA 377.A N PRO 373.A O no hydrogen 3.176 N/A ARG 381.A N ASP 378.A O no hydrogen 2.802 N/A ARG 381.A NE ASN 301.A OD1 no hydrogen 2.906 N/A ARG 381.A NH1 VAL 369.A O no hydrogen 2.907 N/A ARG 381.A NH1 VAL 372.A O no hydrogen 2.847 N/A ARG 381.A NH2 ASN 301.A OD1 no hydrogen 2.722 N/A THR 382.A N ASP 378.A OD2 no hydrogen 3.004 N/A THR 382.A OG1 ASP 378.A OD2 no hydrogen 3.508 N/A ALA 383.A N ASP 378.A OD1 no hydrogen 3.239 N/A ALA 383.A N ASP 378.A OD2 no hydrogen 3.043 N/A THR 386.A N ALA 383.A O no hydrogen 2.971 N/A THR 386.A OG1 ASP 378.A OD1 no hydrogen 2.848 N/A LEU 387.A N ALA 383.A O no hydrogen 3.018 N/A GLU 388.A N PRO 384.A O no hydrogen 3.043 N/A MET 389.A N GLU 385.A O no hydrogen 3.055 N/A GLY 390.A N THR 386.A O no hydrogen 2.852 N/A ALA 391.A N LEU 387.A O no hydrogen 3.242 N/A LYS 392.A N MET 389.A O no hydrogen 3.004 N/A LYS 392.A NZ SER 557.A O no hydrogen 2.836 N/A LYS 392.A NZ GLU 560.A OE1 no hydrogen 2.944 N/A ILE 393.A N MET 389.A O no hydrogen 3.284 N/A LYS 394.A N GLY 390.A O no hydrogen 2.881 N/A LYS 394.A NZ GLU 366.A O no hydrogen 2.974 N/A LYS 395.A N ALA 391.A O no hydrogen 2.971 N/A ALA 396.A N ILE 393.A O no hydrogen 2.908 N/A HIS 397.A N LYS 394.A O no hydrogen 3.336 N/A HIS 397.A ND1 ASP 410.A OD2 no hydrogen 3.007 N/A VAL 398.A N LYS 394.A O no hydrogen 2.952 N/A THR 399.A N ASN 407.A OD1 no hydrogen 3.332 N/A THR 404.A N ASN 407.A OD1 no hydrogen 3.294 N/A ASN 407.A N THR 404.A OG1 no hydrogen 3.416 N/A PHE 408.A N THR 404.A O no hydrogen 3.012 N/A MET 409.A N ALA 405.A O no hydrogen 2.806 N/A ASP 410.A N ASP 406.A O no hydrogen 2.886 N/A LEU 411.A N ASN 407.A O no hydrogen 2.959 N/A CYS 412.A N PHE 408.A O no hydrogen 3.026 N/A CYS 412.A SG PHE 408.A O no hydrogen 3.432 N/A SER 413.A N MET 409.A O no hydrogen 3.246 N/A SER 413.A OG MET 409.A O no hydrogen 3.068 N/A HIS 414.A N LEU 411.A O no hydrogen 2.850 N/A HIS 414.A ND1 ASP 410.A O no hydrogen 3.199 N/A PHE 415.A N LEU 411.A O no hydrogen 2.848 N/A TYR 416.A N CYS 412.A O no hydrogen 2.790 N/A PHE 417.A N SER 413.A O no hydrogen 3.077 N/A TRP 418.A N SER 413.A O no hydrogen 2.958 N/A PHE 419.A N HIS 414.A O no hydrogen 2.923 N/A MET 421.A N PHE 417.A O no hydrogen 3.128 N/A HIS 422.A N TRP 418.A O no hydrogen 3.060 N/A HIS 422.A ND1 TYR 532.A OH no hydrogen 2.856 N/A HIS 422.A NE2 GLU 556.A OE1 no hydrogen 2.874 N/A ARG 423.A N PHE 419.A O no hydrogen 2.991 N/A ARG 423.A NH1 GLU 375.A OE2 no hydrogen 3.089 N/A ARG 423.A NH2 GLU 375.A OE2 no hydrogen 2.978 N/A LEU 424.A N PRO 420.A O no hydrogen 2.988 N/A LEU 425.A N MET 421.A O no hydrogen 2.921 N/A GLN 426.A N HIS 422.A O no hydrogen 3.148 N/A GLN 426.A NE2 TYR 532.A OH no hydrogen 2.930 N/A LEU 427.A N ARG 423.A O no hydrogen 3.022 N/A ARG 428.A N LEU 424.A O no hydrogen 2.866 N/A ARG 428.A NH2 THR 435.A O no hydrogen 3.275 N/A PHE 429.A N LEU 425.A O no hydrogen 2.964 N/A ASN 430.A N LEU 427.A O no hydrogen 3.261 N/A HIS 431.A N ARG 428.A O no hydrogen 2.864 N/A THR 432.A OG1 ASN 335.A O no hydrogen 2.967 N/A SER 433.A OG SER 336.A OG no hydrogen 3.038 N/A SER 433.A OG THR 435.A OG1 no hydrogen 3.234 N/A GLY 434.A N THR 432.A OG1 no hydrogen 3.213 N/A THR 435.A OG1 ASN 335.A O no hydrogen 3.089 N/A THR 435.A OG1 SER 433.A OG no hydrogen 3.234 N/A TYR 438.A N THR 339.A O no hydrogen 2.828 N/A TYR 440.A N MET 341.A O no hydrogen 2.988 N/A ARG 441.A N LEU 535.A O no hydrogen 2.786 N/A ARG 441.A NE GLU 548.A OE1 no hydrogen 3.319 N/A ARG 441.A NE GLU 548.A OE2 no hydrogen 3.054 N/A ARG 441.A NH1 ASN 536.A OD1 no hydrogen 2.802 N/A ARG 441.A NH2 GLU 548.A OE2 no hydrogen 2.864 N/A PHE 442.A N ASN 343.A O no hydrogen 2.781 N/A ASP 443.A N ILE 537.A O no hydrogen 2.789 N/A SER 446.A OG GLU 489.A OE2 no hydrogen 2.985 N/A ASP 448.A N SER 446.A OG no hydrogen 3.213 N/A ASN 451.A ND2 THR 468.A O no hydrogen 2.944 N/A ASN 451.A ND2 THR 472.A OG1 no hydrogen 2.598 N/A TYR 453.A N ASN 451.A OD1 no hydrogen 3.022 N/A ARG 454.A N ASN 451.A O no hydrogen 2.978 N/A ARG 454.A NH1 GLY 459.A O no hydrogen 3.306 N/A ILE 455.A N PRO 452.A O no hydrogen 2.845 N/A MET 456.A N TYR 453.A O no hydrogen 3.216 N/A ARG 457.A N TYR 453.A O no hydrogen 3.055 N/A GLY 459.A N ARG 454.A O no hydrogen 2.865 N/A ARG 460.A NE GLU 5.A OE2 no hydrogen 3.236 N/A ARG 460.A NH2 GLU 5.A OE1 no hydrogen 3.467 N/A GLY 461.A N GLU 447.A OE2 no hydrogen 3.037 N/A GLY 464.A N ASP 445.A OD2 no hydrogen 2.659 N/A SER 466.A N ASP 469.A OD2 no hydrogen 3.002 N/A SER 466.A OG HIS 467.A O no hydrogen 2.926 N/A HIS 467.A N GLU 347.A O no hydrogen 3.360 N/A HIS 467.A ND1 GLU 347.A OE1 no hydrogen 2.658 N/A HIS 467.A NE2 SER 214.A OG no hydrogen 2.947 N/A THR 468.A OG1 HIS 467.A O no hydrogen 2.477 N/A ASP 469.A N SER 466.A O no hydrogen 3.050 N/A GLU 470.A N GLU 470.A OE1 no hydrogen 2.602 N/A LEU 471.A N THR 468.A O no hydrogen 3.297 N/A TYR 473.A N GLU 470.A O no hydrogen 2.901 N/A PHE 474.A N LEU 471.A O no hydrogen 3.012 N/A PHE 475.A N LEU 471.A O no hydrogen 3.019 N/A TRP 476.A N GLY 145.A O no hydrogen 3.045 N/A ASN 477.A ND2 ILE 450.A O no hydrogen 3.159 N/A GLN 478.A N ASP 142.A O no hydrogen 2.896 N/A LEU 479.A N ASN 477.A OD1 no hydrogen 2.806 N/A ALA 480.A N ASN 477.A O no hydrogen 2.850 N/A ARG 482.A NH1 ASP 48.A OD2 no hydrogen 3.352 N/A MET 483.A N TYR 47.A OH no hydrogen 3.019 N/A SER 487.A N PRO 484.A O no hydrogen 3.155 N/A SER 487.A OG PRO 484.A O no hydrogen 2.638 N/A ARG 488.A NE ASP 539.A OD1 no hydrogen 2.744 N/A ARG 488.A NH1 ASP 445.A O no hydrogen 2.990 N/A ARG 488.A NH2 ASP 445.A O no hydrogen 2.920 N/A ARG 488.A NH2 ASP 539.A OD1 no hydrogen 3.038 N/A ARG 488.A NH2 ASP 539.A OD2 no hydrogen 3.190 N/A GLU 489.A N GLU 489.A OE1 no hydrogen 2.710 N/A TYR 490.A N SER 487.A OG no hydrogen 3.117 N/A LYS 491.A N SER 487.A O no hydrogen 3.039 N/A LYS 491.A NZ GLU 486.A O no hydrogen 3.374 N/A THR 492.A N ARG 488.A O no hydrogen 3.033 N/A THR 492.A OG1 ARG 488.A O no hydrogen 2.932 N/A ILE 493.A N GLU 489.A O no hydrogen 3.140 N/A GLU 494.A N TYR 490.A O no hydrogen 3.102 N/A ARG 495.A N LYS 491.A O no hydrogen 2.858 N/A ARG 495.A NE GLU 515.A O no hydrogen 2.882 N/A ARG 495.A NH1 ASP 539.A O no hydrogen 2.990 N/A ARG 495.A NH2 ASP 539.A O no hydrogen 3.520 N/A MET 496.A N THR 492.A O no hydrogen 2.850 N/A THR 497.A N ILE 493.A O no hydrogen 2.833 N/A THR 497.A OG1 ILE 493.A O no hydrogen 2.623 N/A GLY 498.A N GLU 494.A O no hydrogen 2.881 N/A ILE 499.A N ARG 495.A O no hydrogen 2.777 N/A TRP 500.A N MET 496.A O no hydrogen 3.151 N/A THR 501.A N THR 497.A O no hydrogen 3.115 N/A THR 501.A OG1 THR 497.A O no hydrogen 2.980 N/A THR 501.A OG1 GLY 498.A O no hydrogen 3.170 N/A GLN 502.A N GLY 498.A O no hydrogen 2.969 N/A PHE 503.A N ILE 499.A O no hydrogen 2.833 N/A ALA 504.A N TRP 500.A O no hydrogen 2.876 N/A THR 505.A N THR 501.A O no hydrogen 2.887 N/A THR 505.A OG1 THR 501.A O no hydrogen 2.592 N/A THR 506.A N GLN 502.A O no hydrogen 3.038 N/A THR 506.A OG1 GLN 502.A O no hydrogen 3.375 N/A GLY 507.A N PHE 503.A O no hydrogen 2.758 N/A ASN 508.A N THR 506.A OG1 no hydrogen 2.914 N/A TYR 510.A N ASN 508.A OD1 no hydrogen 3.056 N/A GLU 513.A N SER 511.A OG no hydrogen 2.998 N/A ILE 514.A N SER 511.A O no hydrogen 3.355 N/A GLY 516.A N GLU 518.A OE2 no hydrogen 3.170 N/A MET 517.A N ILE 514.A O no hydrogen 3.218 N/A VAL 520.A N MET 517.A O no hydrogen 3.230 N/A TRP 522.A NE1 LEU 439.A O no hydrogen 2.958 N/A ILE 525.A N VAL 437.A O no hydrogen 2.997 N/A GLU 526.A N ASP 529.A OD2 no hydrogen 2.832 N/A LYS 527.A NZ ASN 430.A OD1 no hydrogen 3.038 N/A ASP 529.A N GLU 526.A O no hydrogen 3.081 N/A TYR 532.A OH HIS 422.A ND1 no hydrogen 2.856 N/A LYS 533.A NZ ASP 545.A OD1 no hydrogen 3.330 N/A CYS 534.A N ILE 544.A O no hydrogen 2.817 N/A CYS 534.A SG ILE 544.A O no hydrogen 3.832 N/A LEU 535.A N LEU 439.A O no hydrogen 3.122 N/A ASN 536.A N LYS 542.A O no hydrogen 2.740 N/A ASN 536.A ND2 ASP 443.A OD2 no hydrogen 3.151 N/A ILE 537.A N ARG 441.A O no hydrogen 2.777 N/A SER 538.A N GLU 540.A O no hydrogen 3.095 N/A SER 538.A OG ASP 443.A O no hydrogen 3.123 N/A SER 538.A OG ASP 539.A OD2 no hydrogen 3.127 N/A LYS 542.A N ASN 536.A O no hydrogen 3.088 N/A ILE 544.A N CYS 534.A O no hydrogen 2.945 N/A VAL 546.A N TYR 532.A O no hydrogen 2.793 N/A GLU 548.A N GLU 548.A OE1 no hydrogen 2.817 N/A MET 549.A N VAL 546.A O no hydrogen 3.156 N/A LYS 551.A NZ ASP 410.A OD2 no hydrogen 2.828 N/A ILE 552.A N GLU 548.A O no hydrogen 2.933 N/A LYS 553.A N MET 549.A O no hydrogen 2.904 N/A LYS 553.A NZ GLU 556.A OE1 no hydrogen 2.704 N/A GLN 554.A N GLY 550.A O no hydrogen 3.004 N/A TRP 555.A N LYS 551.A O no hydrogen 3.096 N/A TRP 555.A NE1 HIS 397.A NE2 no hydrogen 2.924 N/A GLU 556.A N ILE 552.A O no hydrogen 3.075 N/A SER 557.A N LYS 553.A O no hydrogen 3.043 N/A SER 557.A N GLN 554.A O no hydrogen 2.977 N/A SER 557.A OG GLN 554.A O no hydrogen 2.525 N/A MET 558.A N TRP 555.A O no hydrogen 3.114 N/A PHE 559.A N GLU 556.A O no hydrogen 2.957 N/A GLU 560.A N SER 557.A O no hydrogen 3.221 N/A HIS 562.A N PHE 559.A O no hydrogen 3.164 N/A HIS 562.A NE2 GLU 385.A OE2 no hydrogen 2.910 N/A ARG 563.A NH1 GLU 556.A OE2 no hydrogen 3.155 N/A LEU 565.A N HIS 562.A O no hydrogen 3.241 N/A PHE 566.A N ARG 563.A O no hydrogen 3.447 N/A