Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6vax_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH ASP 444.A OD1 no hydrogen 2.717 N/A VAL 5.A N ILE 191.A O no hydrogen 2.952 N/A HIS 7.A N ARG 193.A O no hydrogen 2.783 N/A HIS 7.A NE2 HIS 192.A ND1 no hydrogen 3.151 N/A PHE 9.A N ARG 195.A O no hydrogen 2.926 N/A ASP 10.A N ASN 33.A O no hydrogen 2.715 N/A ALA 11.A N ASN 33.A O no hydrogen 3.428 N/A VAL 12.A N ASN 198.A O no hydrogen 3.040 N/A VAL 13.A N ALA 35.A O no hydrogen 2.703 N/A VAL 14.A N VAL 200.A O no hydrogen 2.757 N/A GLY 15.A N VAL 37.A O no hydrogen 2.703 N/A GLY 18.A N THR 47.A OG1 no hydrogen 3.110 N/A LEU 21.A N GLY 17.A O no hydrogen 2.938 N/A ARG 22.A N GLY 18.A O no hydrogen 3.220 N/A ARG 22.A NH1 ARG 22.A O no hydrogen 3.093 N/A ARG 22.A NH2 GLU 99.A OE1 no hydrogen 3.088 N/A ALA 23.A N ALA 19.A O no hydrogen 3.035 N/A ALA 24.A N GLY 20.A O no hydrogen 2.833 N/A PHE 25.A N LEU 21.A O no hydrogen 2.851 N/A GLY 26.A N ARG 22.A O no hydrogen 2.984 N/A LEU 27.A N ALA 23.A O no hydrogen 2.923 N/A SER 28.A N ALA 24.A O no hydrogen 2.989 N/A SER 28.A OG ALA 24.A O no hydrogen 3.291 N/A SER 28.A OG THR 160.A OG1 no hydrogen 2.764 N/A GLU 29.A N PHE 25.A O no hydrogen 2.940 N/A ALA 30.A N GLY 26.A O no hydrogen 3.022 N/A GLY 31.A N SER 28.A O no hydrogen 2.998 N/A PHE 32.A N LEU 27.A O no hydrogen 2.914 N/A ASN 33.A N ASP 10.A OD2 no hydrogen 2.937 N/A THR 34.A OG1 PHE 32.A O no hydrogen 3.116 N/A ALA 35.A N ALA 11.A O no hydrogen 2.950 N/A CYS 36.A N SER 161.A O no hydrogen 2.762 N/A CYS 36.A SG VAL 13.A O no hydrogen 3.818 N/A CYS 36.A SG GLY 15.A O no hydrogen 3.542 N/A VAL 37.A N VAL 13.A O no hydrogen 2.802 N/A THR 38.A N PHE 163.A O no hydrogen 3.246 N/A LYS 39.A NZ THR 218.A O no hydrogen 2.946 N/A LYS 39.A NZ ASP 222.A OD2 no hydrogen 2.910 N/A LYS 39.A NZ GLU 514.A OE2 no hydrogen 3.171 N/A ARG 44.A N PHE 41.A O no hydrogen 2.664 N/A SER 45.A N PRO 42.A O no hydrogen 3.355 N/A SER 45.A OG ALA 16.A O no hydrogen 3.153 N/A SER 45.A OG PRO 42.A O no hydrogen 3.029 N/A VAL 48.A N SER 45.A O no hydrogen 2.987 N/A ALA 49.A N HIS 46.A O no hydrogen 2.944 N/A ALA 50.A N THR 47.A O no hydrogen 3.009 N/A ILE 54.A N CYS 137.A O no hydrogen 2.784 N/A ASN 55.A N ALA 401.A O no hydrogen 2.792 N/A ASN 55.A ND2 ASN 402.A OD1 no hydrogen 3.488 N/A ALA 56.A N ARG 135.A O no hydrogen 2.961 N/A ASN 60.A ND2 ILE 115.A O no hydrogen 3.398 N/A ARG 67.A N ASN 65.A OD1 no hydrogen 3.024 N/A ARG 67.A NE ASP 600.A O no hydrogen 2.835 N/A ARG 67.A NH1 ASN 65.A OD1 no hydrogen 2.746 N/A ARG 67.A NH2 ASP 600.A OD1 no hydrogen 3.377 N/A TRP 68.A N ASN 65.A O no hydrogen 2.940 N/A HIS 69.A NE2 ASN 402.A OD1 no hydrogen 2.919 N/A PHE 70.A N TRP 66.A O no hydrogen 2.844 N/A TYR 71.A N ARG 67.A O no hydrogen 2.933 N/A ASP 72.A N TRP 68.A O no hydrogen 2.989 N/A THR 73.A N HIS 69.A O no hydrogen 3.004 N/A THR 73.A OG1 HIS 69.A O no hydrogen 2.879 N/A VAL 74.A N PHE 70.A O no hydrogen 2.960 N/A LYS 75.A N TYR 71.A O no hydrogen 2.916 N/A LYS 75.A NZ SER 610.A OG no hydrogen 3.390 N/A GLY 76.A N ASP 72.A O no hydrogen 2.906 N/A SER 77.A N THR 73.A O no hydrogen 2.955 N/A SER 77.A OG THR 73.A O no hydrogen 3.427 N/A SER 77.A OG VAL 74.A O no hydrogen 2.660 N/A ASP 78.A N LYS 75.A O no hydrogen 3.259 N/A TRP 79.A NE1 VAL 604.A O no hydrogen 2.977 N/A LEU 80.A N SER 77.A O no hydrogen 3.121 N/A ASP 82.A N SER 392.A O no hydrogen 2.851 N/A GLN 83.A N ILE 592.A O no hydrogen 2.849 N/A GLN 83.A NE2 VAL 604.A O no hydrogen 2.822 N/A ALA 85.A N ASP 82.A O no hydrogen 3.198 N/A ILE 86.A N ASP 82.A O no hydrogen 3.103 N/A HIS 87.A N GLN 83.A O no hydrogen 2.923 N/A TYR 88.A N ASP 84.A O no hydrogen 3.084 N/A MET 89.A N ALA 85.A O no hydrogen 2.795 N/A THR 90.A N ILE 86.A O no hydrogen 3.013 N/A THR 90.A OG1 ILE 86.A O no hydrogen 2.642 N/A THR 90.A OG1 HIS 87.A O no hydrogen 3.278 N/A GLU 91.A N HIS 87.A O no hydrogen 3.034 N/A GLN 92.A N TYR 88.A O no hydrogen 3.082 N/A ALA 93.A N THR 90.A O no hydrogen 3.263 N/A ALA 96.A N GLN 92.A O no hydrogen 2.972 N/A VAL 97.A N ALA 93.A O no hydrogen 3.115 N/A VAL 98.A N PRO 94.A O no hydrogen 3.102 N/A GLU 99.A N ALA 95.A O no hydrogen 2.951 N/A LEU 100.A N ALA 96.A O no hydrogen 2.822 N/A GLU 101.A N VAL 97.A O no hydrogen 2.820 N/A ASN 102.A N VAL 98.A O no hydrogen 2.936 N/A TYR 103.A N GLU 99.A O no hydrogen 2.964 N/A GLY 104.A N LEU 100.A O no hydrogen 3.236 N/A GLY 104.A N GLU 101.A O no hydrogen 2.996 N/A MET 105.A N LEU 100.A O no hydrogen 3.323 N/A PHE 107.A N MET 105.A O no hydrogen 2.610 N/A SER 108.A N CYS 138.A O no hydrogen 3.184 N/A SER 108.A OG CYS 138.A O no hydrogen 3.393 N/A ARG 109.A NE GLU 101.A OE1 no hydrogen 3.157 N/A ARG 109.A NH2 GLU 101.A OE1 no hydrogen 2.892 N/A THR 110.A N LYS 114.A O no hydrogen 2.618 N/A THR 110.A OG1 LYS 114.A O no hydrogen 2.899 N/A LYS 114.A N THR 110.A OG1 no hydrogen 3.198 N/A TYR 116.A N SER 108.A O no hydrogen 2.703 N/A ARG 118.A N CYS 136.A O no hydrogen 2.818 N/A SER 124.A N ASP 72.A OD2 no hydrogen 3.018 N/A SER 124.A OG ASP 72.A OD1 no hydrogen 2.681 N/A SER 124.A OG ASP 72.A OD2 no hydrogen 3.423 N/A LYS 129.A N LYS 126.A O no hydrogen 3.015 N/A GLY 130.A N LEU 125.A O no hydrogen 3.465 N/A ALA 133.A N GLN 123.A O no hydrogen 3.220 N/A ARG 135.A NE ASP 64.A OD1 no hydrogen 3.339 N/A ARG 135.A NH1 ASP 72.A OD2 no hydrogen 3.257 N/A ARG 135.A NH1 GLN 123.A OE1 no hydrogen 2.371 N/A ARG 135.A NH1 SER 124.A O no hydrogen 3.475 N/A ARG 135.A NH2 ASP 64.A OD1 no hydrogen 3.212 N/A ARG 135.A NH2 SER 124.A O no hydrogen 2.742 N/A CYS 136.A N ARG 118.A O no hydrogen 3.265 N/A CYS 137.A N ILE 54.A O no hydrogen 2.680 N/A CYS 137.A SG GLN 117.A OE1 no hydrogen 3.611 N/A CYS 137.A SG ARG 135.A O no hydrogen 3.585 N/A CYS 138.A SG ALA 140.A O no hydrogen 3.791 N/A VAL 139.A N THR 143.A OG1 no hydrogen 2.654 N/A ALA 140.A N SER 108.A OG no hydrogen 3.150 N/A ARG 142.A N VAL 139.A O no hydrogen 2.986 N/A ARG 142.A NE HIS 145.A ND1 no hydrogen 3.588 N/A ARG 142.A NH2 HIS 145.A ND1 no hydrogen 3.083 N/A THR 143.A OG1 GLY 52.A O no hydrogen 2.852 N/A GLY 144.A N ALA 50.A O no hydrogen 2.954 N/A SER 146.A N ARG 142.A O no hydrogen 2.850 N/A LEU 147.A N THR 143.A O no hydrogen 2.887 N/A LEU 148.A N GLY 144.A O no hydrogen 3.139 N/A HIS 149.A N HIS 145.A O no hydrogen 2.677 N/A THR 150.A N SER 146.A O no hydrogen 2.990 N/A THR 150.A OG1 SER 146.A O no hydrogen 2.786 N/A LEU 151.A N LEU 147.A O no hydrogen 3.076 N/A TYR 152.A N LEU 148.A O no hydrogen 3.068 N/A GLY 153.A N HIS 149.A O no hydrogen 3.137 N/A ARG 154.A N THR 150.A O no hydrogen 2.949 N/A ARG 154.A NE TYR 103.A O no hydrogen 3.569 N/A SER 155.A N LEU 151.A O no hydrogen 2.889 N/A SER 155.A OG LEU 151.A O no hydrogen 3.313 N/A SER 155.A OG TYR 152.A O no hydrogen 2.781 N/A SER 155.A OG TYR 162.A OH no hydrogen 2.315 N/A LEU 156.A N TYR 152.A O no hydrogen 3.144 N/A ARG 157.A N GLY 153.A O no hydrogen 3.329 N/A ARG 157.A N ARG 154.A O no hydrogen 3.199 N/A TYR 158.A N SER 155.A O no hydrogen 3.225 N/A ASP 159.A N LEU 156.A O no hydrogen 3.223 N/A THR 160.A N SER 155.A O no hydrogen 3.242 N/A THR 160.A OG1 SER 28.A OG no hydrogen 2.764 N/A THR 160.A OG1 SER 155.A O no hydrogen 2.741 N/A SER 161.A N THR 34.A O no hydrogen 3.031 N/A TYR 162.A OH SER 155.A OG no hydrogen 2.315 N/A PHE 163.A N CYS 36.A O no hydrogen 2.840 N/A TYR 166.A N THR 38.A O no hydrogen 2.812 N/A PHE 167.A N LEU 184.A O no hydrogen 2.777 N/A LEU 169.A N ILE 182.A O no hydrogen 2.802 N/A ASP 170.A N ILE 182.A O no hydrogen 3.353 N/A LEU 172.A N GLY 180.A O no hydrogen 2.890 N/A GLU 174.A N GLU 177.A O no hydrogen 2.863 N/A GLU 177.A N GLU 174.A O no hydrogen 3.227 N/A CYS 178.A N PRO 380.A O no hydrogen 3.148 N/A CYS 178.A SG GLY 180.A O no hydrogen 3.389 N/A CYS 178.A SG THR 199.A OG1 no hydrogen 3.298 N/A ARG 179.A N LEU 172.A O no hydrogen 2.679 N/A ARG 179.A NH1 PRO 430.A O no hydrogen 3.108 N/A ARG 179.A NH2 GLU 177.A OE1 no hydrogen 2.889 N/A VAL 181.A N ILE 194.A O no hydrogen 3.144 N/A ILE 182.A N ASP 170.A O no hydrogen 3.026 N/A ALA 183.A N HIS 192.A O no hydrogen 2.734 N/A LEU 184.A N PHE 167.A O no hydrogen 2.702 N/A CYS 185.A N SER 190.A O no hydrogen 2.914 N/A CYS 185.A SG TYR 166.A OH no hydrogen 3.325 N/A CYS 185.A SG ASP 188.A OD1 no hydrogen 3.138 N/A ILE 186.A N GLU 165.A O no hydrogen 3.305 N/A GLY 189.A N CYS 185.A O no hydrogen 2.785 N/A SER 190.A N ASP 188.A OD1 no hydrogen 3.072 N/A SER 190.A OG ASP 188.A OD1 no hydrogen 2.872 N/A SER 190.A OG ASP 188.A OD2 no hydrogen 3.321 N/A SER 190.A OG HIS 192.A NE2 no hydrogen 2.597 N/A HIS 192.A N ALA 183.A O no hydrogen 2.886 N/A HIS 192.A ND1 HIS 7.A NE2 no hydrogen 3.151 N/A HIS 192.A NE2 SER 190.A OG no hydrogen 2.597 N/A ARG 193.A N VAL 5.A O no hydrogen 2.733 N/A ARG 193.A NH1 PRO 433.A O no hydrogen 3.507 N/A ILE 194.A N VAL 181.A O no hydrogen 2.896 N/A ARG 195.A N HIS 7.A O no hydrogen 2.675 N/A ARG 195.A NH2 PRO 429.A O no hydrogen 3.012 N/A ALA 196.A N ARG 179.A O no hydrogen 3.173 N/A LYS 197.A N ASP 10.A O no hydrogen 3.386 N/A LYS 197.A NZ ASP 426.A OD2 no hydrogen 3.248 N/A THR 199.A N GLY 381.A O no hydrogen 2.785 N/A VAL 200.A N VAL 12.A O no hydrogen 2.876 N/A VAL 201.A N TYR 383.A O no hydrogen 2.713 N/A ALA 202.A N VAL 14.A O no hydrogen 2.795 N/A TYR 206.A N ASN 356.A OD1 no hydrogen 3.044 N/A TYR 206.A OH LEU 237.A O no hydrogen 2.546 N/A ARG 208.A N SER 219.A O no hydrogen 3.235 N/A ARG 208.A NE ALA 216.A O no hydrogen 3.499 N/A ARG 208.A NH2 SER 215.A O no hydrogen 3.049 N/A THR 209.A N TYR 206.A O no hydrogen 3.124 N/A THR 209.A OG1 TYR 206.A O no hydrogen 2.967 N/A TYR 210.A N GLY 207.A O no hydrogen 3.293 N/A TYR 210.A OH ALA 470.A O no hydrogen 2.683 N/A PHE 211.A N GLN 467.A OE1 no hydrogen 3.182 N/A SER 212.A N GLN 467.A OE1 no hydrogen 3.118 N/A CYS 213.A SG SER 215.A O no hydrogen 3.850 N/A THR 214.A N VAL 353.A O no hydrogen 2.749 N/A THR 214.A OG1 VAL 353.A O no hydrogen 3.267 N/A THR 214.A OG1 HIS 354.A ND1 no hydrogen 2.766 N/A SER 215.A OG HIS 46.A NE2 no hydrogen 3.216 N/A SER 219.A N ALA 216.A O no hydrogen 3.433 N/A THR 220.A OG1 THR 218.A O no hydrogen 3.268 N/A THR 220.A OG1 ASP 222.A OD1 no hydrogen 2.699 N/A GLY 221.A N GLY 205.A O no hydrogen 3.051 N/A ALA 225.A N GLY 221.A O no hydrogen 2.953 N/A MET 226.A N ASP 222.A O no hydrogen 2.965 N/A ILE 227.A N GLY 223.A O no hydrogen 3.116 N/A THR 228.A N THR 224.A O no hydrogen 3.026 N/A THR 228.A OG1 THR 224.A O no hydrogen 2.847 N/A ARG 229.A N ALA 225.A O no hydrogen 2.767 N/A ARG 229.A NE ASP 170.A OD1 no hydrogen 2.646 N/A ARG 229.A NH1 ASN 517.A OD1 no hydrogen 2.881 N/A ARG 229.A NH2 LEU 169.A O no hydrogen 2.976 N/A ARG 229.A NH2 ASN 517.A OD1 no hydrogen 3.193 N/A ALA 230.A N MET 226.A O no hydrogen 2.988 N/A GLY 231.A N THR 228.A O no hydrogen 2.974 N/A LEU 232.A N ILE 227.A O no hydrogen 3.068 N/A CYS 234.A N SER 575.A O no hydrogen 3.127 N/A CYS 234.A SG THR 224.A O no hydrogen 3.657 N/A CYS 234.A SG THR 228.A OG1 no hydrogen 3.523 N/A GLN 235.A N GLY 359.A O no hydrogen 2.728 N/A ASP 236.A N THR 573.A O no hydrogen 3.062 N/A GLU 238.A N GLU 238.A OE1 no hydrogen 2.760 N/A PHE 239.A N ASP 236.A O no hydrogen 3.220 N/A VAL 240.A N GLU 238.A O no hydrogen 2.971 N/A GLN 241.A N TYR 355.A O no hydrogen 2.844 N/A GLN 241.A NE2 ASN 397.A OD1 no hydrogen 2.644 N/A GLN 241.A NE2 ARG 398.A O no hydrogen 2.738 N/A HIS 243.A N THR 352.A O no hydrogen 2.587 N/A THR 245.A N HIS 243.A ND1 no hydrogen 3.323 N/A THR 245.A OG1 ILE 254.A O no hydrogen 2.767 N/A GLY 246.A N LEU 350.A O no hydrogen 3.011 N/A ILE 247.A N CYS 252.A O no hydrogen 2.939 N/A TYR 248.A N PRO 348.A O no hydrogen 2.912 N/A TYR 248.A OH ASP 309.A OD2 no hydrogen 2.333 N/A GLY 251.A N ILE 247.A O no hydrogen 2.883 N/A ILE 254.A N THR 245.A O no hydrogen 3.054 N/A GLY 257.A N THR 255.A OG1 no hydrogen 3.158 N/A CYS 258.A N THR 255.A O no hydrogen 3.286 N/A CYS 258.A SG THR 255.A O no hydrogen 3.590 N/A ARG 259.A NE ASP 283.A O no hydrogen 3.209 N/A ARG 259.A NH1 THR 245.A OG1 no hydrogen 3.280 N/A ARG 259.A NH2 GLU 256.A OE2 no hydrogen 2.771 N/A GLY 260.A N GLU 256.A O no hydrogen 3.007 N/A GLU 261.A N GLY 257.A O no hydrogen 2.770 N/A GLY 263.A N CYS 258.A O no hydrogen 2.733 N/A ILE 264.A N GLN 314.A O no hydrogen 3.187 N/A LEU 265.A N ASP 283.A OD2 no hydrogen 2.806 N/A ILE 266.A N TYR 312.A O no hydrogen 2.879 N/A ASN 267.A N GLU 271.A O no hydrogen 3.248 N/A ASN 267.A ND2 GLU 271.A OE1 no hydrogen 3.231 N/A ASN 267.A ND2 GLU 297.A OE2 no hydrogen 2.703 N/A SER 268.A N ARG 302.A O no hydrogen 3.238 N/A GLN 269.A N ASN 267.A OD1 no hydrogen 3.028 N/A GLY 270.A N ASN 267.A O no hydrogen 3.431 N/A GLU 271.A N ASN 267.A OD1 no hydrogen 2.842 N/A ARG 272.A NE ASP 283.A OD1 no hydrogen 2.707 N/A ARG 272.A NH2 ASP 283.A OD1 no hydrogen 2.786 N/A GLU 275.A N ARG 272.A O no hydrogen 2.991 N/A ARG 276.A N PHE 273.A O no hydrogen 2.753 N/A TYR 277.A N PHE 273.A O no hydrogen 3.241 N/A TYR 277.A OH GLU 297.A OE1 no hydrogen 2.322 N/A ALA 278.A N MET 274.A O no hydrogen 3.057 N/A LYS 282.A N ALA 278.A O no hydrogen 2.746 N/A LYS 282.A NZ GLU 275.A OE1 no hydrogen 3.155 N/A LYS 282.A NZ PRO 279.A O no hydrogen 2.862 N/A LEU 284.A N ALA 281.A O no hydrogen 3.083 N/A ALA 285.A N LYS 282.A O no hydrogen 3.254 N/A ARG 287.A NE GLU 256.A OE2 no hydrogen 3.291 N/A VAL 289.A N SER 286.A OG no hydrogen 3.423 N/A VAL 290.A N SER 286.A O no hydrogen 2.900 N/A SER 291.A N ARG 287.A O no hydrogen 2.875 N/A SER 291.A OG ARG 287.A O no hydrogen 2.830 N/A ARG 292.A N ASP 288.A O no hydrogen 3.014 N/A SER 293.A N VAL 289.A O no hydrogen 2.901 N/A SER 293.A OG VAL 289.A O no hydrogen 2.604 N/A MET 294.A N VAL 290.A O no hydrogen 2.945 N/A THR 295.A N SER 291.A O no hydrogen 2.939 N/A THR 295.A OG1 SER 291.A O no hydrogen 2.755 N/A LEU 296.A N ARG 292.A O no hydrogen 2.843 N/A GLU 297.A N SER 293.A O no hydrogen 2.921 N/A ILE 298.A N MET 294.A O no hydrogen 3.052 N/A ARG 299.A N THR 295.A O no hydrogen 2.936 N/A GLU 300.A N LEU 296.A O no hydrogen 3.017 N/A ARG 302.A N GLU 297.A O no hydrogen 2.906 N/A ARG 302.A NH2 GLU 300.A OE1 no hydrogen 2.550 N/A CYS 304.A N HIS 310.A O no hydrogen 2.516 N/A CYS 304.A SG ILE 266.A O no hydrogen 4.038 N/A LYS 308.A N GLY 305.A O no hydrogen 3.212 N/A LYS 308.A NZ GLY 301.A O no hydrogen 3.205 N/A LYS 308.A NZ GLY 303.A O no hydrogen 3.081 N/A ASP 309.A N CYS 304.A O no hydrogen 3.244 N/A HIS 310.A ND1 ASP 309.A OD1 no hydrogen 3.038 N/A VAL 311.A N VAL 349.A O no hydrogen 3.172 N/A TYR 312.A N ILE 266.A O no hydrogen 2.883 N/A LEU 313.A N ILE 347.A O no hydrogen 2.750 N/A GLN 314.A N ILE 264.A O no hydrogen 2.851 N/A GLN 314.A NE2 HIS 317.A ND1 no hydrogen 3.260 N/A HIS 317.A NE2 GLY 262.A O no hydrogen 2.811 N/A LEU 318.A N LEU 315.A O no hydrogen 3.110 N/A GLN 322.A NE2 GLU 261.A OE1 no hydrogen 3.219 N/A LEU 323.A N PRO 319.A O no hydrogen 3.102 N/A ALA 324.A N PRO 320.A O no hydrogen 3.010 N/A THR 325.A N GLU 321.A O no hydrogen 2.904 N/A THR 325.A OG1 GLU 321.A O no hydrogen 3.005 N/A GLU 332.A N GLU 332.A OE1 no hydrogen 2.486 N/A THR 333.A N GLY 329.A O no hydrogen 3.062 N/A THR 333.A OG1 GLY 329.A O no hydrogen 2.575 N/A ALA 334.A N ILE 330.A O no hydrogen 3.016 N/A MET 335.A N SER 331.A O no hydrogen 3.053 N/A ILE 336.A N GLU 332.A O no hydrogen 2.938 N/A PHE 337.A N THR 333.A O no hydrogen 3.093 N/A ALA 338.A N ALA 334.A O no hydrogen 2.979 N/A GLY 339.A N MET 335.A O no hydrogen 3.119 N/A VAL 340.A N ALA 334.A O no hydrogen 3.077 N/A THR 343.A N ASP 341.A OD1 no hydrogen 3.088 N/A THR 343.A OG1 ASP 341.A OD1 no hydrogen 2.444 N/A LYS 344.A N ASP 341.A O no hydrogen 2.985 N/A GLU 345.A N ASP 341.A O no hydrogen 2.712 N/A ILE 347.A N LEU 313.A O no hydrogen 2.858 N/A VAL 349.A N VAL 311.A O no hydrogen 2.927 N/A LEU 350.A N GLY 246.A O no hydrogen 2.797 N/A THR 352.A N HIS 243.A O no hydrogen 2.828 N/A THR 352.A OG1 LEU 350.A O no hydrogen 2.758 N/A VAL 353.A N SER 212.A O no hydrogen 3.033 N/A HIS 354.A N GLN 241.A O no hydrogen 2.858 N/A HIS 354.A ND1 THR 214.A OG1 no hydrogen 2.766 N/A TYR 355.A N GLN 241.A O no hydrogen 3.274 N/A TYR 355.A OH HIS 394.A NE2 no hydrogen 3.406 N/A ASN 356.A N GLU 387.A OE2 no hydrogen 3.171 N/A GLY 359.A N GLN 235.A O no hydrogen 2.902 N/A ILE 360.A N ALA 388.A O no hydrogen 2.699 N/A THR 362.A N CYS 390.A O no hydrogen 3.122 N/A THR 362.A OG1 ASN 363.A O no hydrogen 3.396 N/A ASN 363.A N GLN 367.A O no hydrogen 3.049 N/A ASN 363.A ND2 GLN 367.A OE1 no hydrogen 2.687 N/A LYS 365.A N ASN 363.A OD1 no hydrogen 3.183 N/A LYS 365.A NZ TYR 364.A OH no hydrogen 2.699 N/A GLY 366.A N ASN 363.A O no hydrogen 3.026 N/A GLN 367.A N ASN 363.A OD1 no hydrogen 2.684 N/A VAL 368.A N LEU 382.A O no hydrogen 3.097 N/A LEU 369.A N PRO 361.A O no hydrogen 2.824 N/A ARG 370.A N GLN 377.A O no hydrogen 2.903 N/A ARG 370.A NE GLN 377.A OE1 no hydrogen 3.043 N/A ARG 370.A NH1 GLY 176.A O no hydrogen 3.500 N/A ARG 370.A NH2 GLY 176.A O no hydrogen 3.318 N/A ARG 370.A NH2 GLN 377.A OE1 no hydrogen 3.396 N/A HIS 371.A ND1 ASP 376.A OD1 no hydrogen 3.167 N/A VAL 372.A N GLN 375.A O no hydrogen 2.924 N/A GLN 375.A N VAL 372.A O no hydrogen 3.204 N/A GLN 377.A N ARG 370.A O no hydrogen 2.967 N/A VAL 379.A N VAL 368.A O no hydrogen 2.985 N/A LEU 382.A N VAL 379.A O no hydrogen 3.330 N/A TYR 383.A N THR 199.A O no hydrogen 2.564 N/A ALA 384.A N GLY 366.A O no hydrogen 3.000 N/A CYS 385.A N VAL 201.A O no hydrogen 3.146 N/A CYS 385.A SG ALA 19.A O no hydrogen 3.964 N/A ALA 389.A N GLY 386.A O no hydrogen 3.013 N/A CYS 390.A N ILE 360.A O no hydrogen 2.616 N/A CYS 390.A SG MET 357.A O no hydrogen 3.627 N/A SER 392.A N ASP 82.A OD2 no hydrogen 2.892 N/A GLY 395.A N SER 392.A OG no hydrogen 2.825 N/A ALA 396.A N SER 77.A O no hydrogen 3.017 N/A ASN 397.A N HIS 394.A O no hydrogen 3.015 N/A ASN 397.A ND2 ASP 288.A OD2 no hydrogen 3.301 N/A ASN 402.A ND2 THR 73.A OG1 no hydrogen 3.307 N/A ASP 406.A N ASN 402.A O no hydrogen 2.861 N/A LEU 407.A N SER 403.A O no hydrogen 2.885 N/A VAL 408.A N LEU 404.A O no hydrogen 3.281 N/A VAL 409.A N LEU 405.A O no hydrogen 3.019 N/A PHE 410.A N ASP 406.A O no hydrogen 3.390 N/A GLY 411.A N LEU 407.A O no hydrogen 2.986 N/A ARG 412.A N VAL 408.A O no hydrogen 3.227 N/A ALA 413.A N VAL 409.A O no hydrogen 2.865 N/A CYS 414.A N PHE 410.A O no hydrogen 2.851 N/A CYS 414.A SG ALA 384.A O no hydrogen 3.726 N/A CYS 414.A SG PHE 410.A O no hydrogen 3.186 N/A ALA 415.A N GLY 411.A O no hydrogen 3.333 N/A LEU 416.A N ARG 412.A O no hydrogen 2.898 N/A SER 417.A N ALA 413.A O no hydrogen 2.961 N/A SER 417.A OG LYS 365.A O no hydrogen 3.226 N/A SER 417.A OG ALA 413.A O no hydrogen 3.093 N/A ILE 418.A N CYS 414.A O no hydrogen 3.116 N/A GLU 419.A N ALA 415.A O no hydrogen 3.026 N/A GLU 420.A N LEU 416.A O no hydrogen 2.902 N/A SER 421.A OG SER 417.A O no hydrogen 2.939 N/A CYS 422.A N ILE 418.A O no hydrogen 2.939 N/A CYS 422.A SG SER 421.A OG no hydrogen 3.749 N/A ARG 423.A N ASP 426.A OD2 no hydrogen 3.087 N/A ARG 423.A NE CYS 422.A O no hydrogen 2.870 N/A ARG 423.A NH2 GLU 419.A O no hydrogen 2.720 N/A GLY 425.A N ASP 10.A OD1 no hydrogen 2.945 N/A GLY 425.A N ASP 10.A OD2 no hydrogen 3.256 N/A ASP 426.A N ARG 423.A O no hydrogen 3.381 N/A ALA 435.A N LYS 432.A O no hydrogen 3.164 N/A GLU 437.A N ASN 434.A O no hydrogen 3.263 N/A SER 439.A OG ASP 170.A OD2 no hydrogen 2.825 N/A VAL 440.A N GLY 436.A O no hydrogen 3.105 N/A MET 441.A N GLU 437.A O no hydrogen 2.796 N/A ASN 442.A N GLU 438.A O no hydrogen 3.059 N/A ASN 442.A ND2 GLN 516.A OE1 no hydrogen 3.059 N/A LEU 443.A N SER 439.A O no hydrogen 2.956 N/A ASP 444.A N VAL 440.A O no hydrogen 2.885 N/A LYS 445.A N MET 441.A O no hydrogen 3.040 N/A LEU 446.A N ASN 442.A O no hydrogen 3.170 N/A ARG 447.A N LEU 443.A O no hydrogen 3.144 N/A ARG 447.A NH1 ARG 501.A O no hydrogen 2.520 N/A ARG 447.A NH2 ASP 444.A OD1 no hydrogen 3.467 N/A PHE 448.A N ASP 444.A O no hydrogen 3.092 N/A GLY 451.A N LEU 496.A O no hydrogen 2.936 N/A SER 452.A N HIS 495.A O no hydrogen 3.100 N/A ILE 453.A N HIS 495.A O no hydrogen 2.848 N/A ARG 454.A N GLU 457.A OE1 no hydrogen 3.175 N/A THR 455.A OG1 THR 512.A OG1 no hydrogen 3.029 N/A LEU 458.A N ARG 454.A O no hydrogen 3.141 N/A ARG 459.A N THR 455.A O no hydrogen 3.030 N/A LEU 460.A N SER 456.A O no hydrogen 2.979 N/A SER 461.A N GLU 457.A O no hydrogen 3.108 N/A SER 461.A OG GLU 457.A O no hydrogen 3.109 N/A MET 462.A N LEU 458.A O no hydrogen 3.001 N/A GLN 463.A N ARG 459.A O no hydrogen 2.990 N/A GLN 463.A NE2 ARG 208.A O no hydrogen 3.163 N/A LYS 464.A N LEU 460.A O no hydrogen 2.870 N/A SER 465.A N SER 461.A O no hydrogen 2.940 N/A SER 465.A OG SER 461.A O no hydrogen 2.940 N/A MET 466.A N MET 462.A O no hydrogen 2.890 N/A GLN 467.A N GLN 463.A O no hydrogen 2.942 N/A ASN 468.A N LYS 464.A O no hydrogen 2.900 N/A HIS 469.A ND1 VAL 478.A O no hydrogen 3.015 N/A ALA 470.A N MET 466.A O no hydrogen 3.109 N/A ARG 474.A NE ALA 471.A O no hydrogen 2.884 N/A ARG 474.A NH1 GLU 238.A O no hydrogen 2.802 N/A ARG 474.A NH1 HIS 539.A ND1 no hydrogen 2.900 N/A ARG 474.A NH2 GLU 238.A O no hydrogen 3.170 N/A ARG 474.A NH2 ALA 470.A O no hydrogen 3.280 N/A GLY 476.A N ASP 543.A OD2 no hydrogen 2.738 N/A LEU 479.A N VAL 475.A O no hydrogen 2.818 N/A GLN 480.A N GLY 476.A O no hydrogen 2.911 N/A GLN 480.A NE2 GLU 530.A OE2 no hydrogen 3.210 N/A GLU 481.A N SER 477.A O no hydrogen 3.070 N/A GLY 482.A N VAL 478.A O no hydrogen 2.960 N/A CYS 483.A N LEU 479.A O no hydrogen 2.915 N/A CYS 483.A SG LEU 479.A O no hydrogen 3.213 N/A CYS 483.A SG ILE 526.A O no hydrogen 3.542 N/A GLY 484.A N GLN 480.A O no hydrogen 3.160 N/A LYS 485.A N GLU 481.A O no hydrogen 2.995 N/A ILE 486.A N GLY 482.A O no hydrogen 2.904 N/A SER 487.A N CYS 483.A O no hydrogen 2.980 N/A SER 487.A OG CYS 483.A O no hydrogen 3.067 N/A SER 487.A OG TYR 527.A OH no hydrogen 2.550 N/A LYS 488.A N GLY 484.A O no hydrogen 2.955 N/A LYS 488.A NZ ASP 492.A OD2 no hydrogen 2.898 N/A LEU 489.A N LYS 485.A O no hydrogen 2.828 N/A TYR 490.A N ILE 486.A O no hydrogen 2.866 N/A TYR 490.A OH VAL 579.A O no hydrogen 2.776 N/A GLY 491.A N SER 487.A O no hydrogen 3.114 N/A ASP 492.A N LYS 488.A O no hydrogen 3.111 N/A LEU 493.A N TYR 490.A O no hydrogen 3.239 N/A HIS 495.A N ASP 492.A O no hydrogen 2.957 N/A THR 498.A N ALA 449.A O no hydrogen 3.259 N/A THR 498.A OG1 LEU 446.A O no hydrogen 2.640 N/A THR 498.A OG1 ARG 447.A O no hydrogen 3.453 N/A PHE 499.A N ASP 508.A OD2 no hydrogen 3.044 N/A GLY 502.A N ASP 500.A OD1 no hydrogen 3.145 N/A TRP 505.A N ILE 186.A O no hydrogen 3.154 N/A TRP 505.A N GLU 187.A O no hydrogen 3.350 N/A ASN 506.A ND2 ASP 500.A O no hydrogen 2.733 N/A ASN 506.A ND2 GLY 502.A O no hydrogen 2.947 N/A THR 507.A OG1 TRP 505.A O no hydrogen 3.546 N/A LEU 509.A N ASN 506.A OD1 no hydrogen 2.699 N/A VAL 510.A N ASN 506.A O no hydrogen 3.043 N/A GLU 511.A N THR 507.A O no hydrogen 2.930 N/A THR 512.A N ASP 508.A O no hydrogen 3.108 N/A THR 512.A OG1 THR 455.A OG1 no hydrogen 3.029 N/A THR 512.A OG1 ASP 508.A O no hydrogen 2.725 N/A LEU 513.A N LEU 509.A O no hydrogen 2.991 N/A GLU 514.A N VAL 510.A O no hydrogen 2.984 N/A LEU 515.A N GLU 511.A O no hydrogen 2.944 N/A GLN 516.A N THR 512.A O no hydrogen 3.204 N/A GLN 516.A NE2 ASN 442.A OD1 no hydrogen 2.913 N/A ASN 517.A N LEU 513.A O no hydrogen 3.165 N/A ASN 517.A ND2 ASP 222.A OD1 no hydrogen 2.423 N/A LEU 518.A N GLU 514.A O no hydrogen 2.771 N/A MET 519.A N LEU 515.A O no hydrogen 2.966 N/A LEU 520.A N GLN 516.A O no hydrogen 3.289 N/A CYS 521.A N ASN 517.A O no hydrogen 3.122 N/A CYS 521.A SG GLY 221.A O no hydrogen 3.581 N/A CYS 521.A SG ASN 517.A O no hydrogen 3.162 N/A ALA 522.A N LEU 518.A O no hydrogen 2.749 N/A LEU 523.A N MET 519.A O no hydrogen 2.966 N/A GLN 524.A N LEU 520.A O no hydrogen 3.352 N/A GLN 524.A NE2 THR 228.A OG1 no hydrogen 2.945 N/A GLN 524.A NE2 LEU 520.A O no hydrogen 3.116 N/A THR 525.A N CYS 521.A O no hydrogen 2.988 N/A THR 525.A OG1 LEU 237.A O no hydrogen 3.092 N/A THR 525.A OG1 CYS 521.A O no hydrogen 2.784 N/A ILE 526.A N ALA 522.A O no hydrogen 3.025 N/A TYR 527.A N LEU 523.A O no hydrogen 3.123 N/A TYR 527.A OH CYS 483.A O no hydrogen 3.414 N/A TYR 527.A OH SER 487.A OG no hydrogen 2.550 N/A GLY 528.A N GLN 524.A O no hydrogen 3.152 N/A ALA 529.A N THR 525.A O no hydrogen 2.996 N/A GLU 530.A N ILE 526.A O no hydrogen 3.024 N/A ALA 531.A N TYR 527.A O no hydrogen 3.082 N/A ARG 532.A N GLY 528.A O no hydrogen 3.128 N/A ARG 532.A NE GLU 238.A OE2 no hydrogen 2.808 N/A ARG 532.A NH1 GLU 534.A OE2 no hydrogen 2.746 N/A ARG 532.A NH1 TRP 569.A O no hydrogen 2.892 N/A ARG 532.A NH2 LYS 571.A O no hydrogen 2.690 N/A ARG 532.A NH2 THR 573.A OG1 no hydrogen 2.814 N/A LYS 533.A NZ GLU 530.A O no hydrogen 3.532 N/A SER 535.A N VAL 546.A O no hydrogen 3.321 N/A SER 535.A OG TYR 544.A O no hydrogen 2.506 N/A ARG 536.A N HIS 539.A O no hydrogen 2.683 N/A ARG 536.A NE GLU 534.A OE2 no hydrogen 2.612 N/A ARG 536.A NH1 ASP 78.A O no hydrogen 3.254 N/A ARG 536.A NH1 ASP 549.A OD1 no hydrogen 3.006 N/A ARG 536.A NH2 GLU 534.A OE1 no hydrogen 2.663 N/A ARG 536.A NH2 GLU 534.A OE2 no hydrogen 3.318 N/A ARG 536.A NH2 ASP 549.A OD1 no hydrogen 2.878 N/A GLY 537.A N ASP 78.A OD2 no hydrogen 2.912 N/A ALA 538.A N ALA 396.A O no hydrogen 2.874 N/A HIS 539.A N ARG 536.A O no hydrogen 2.865 N/A HIS 539.A NE2 ARG 532.A O no hydrogen 2.989 N/A ARG 541.A N SER 535.A OG no hydrogen 3.076 N/A ARG 541.A NE ASP 543.A OD1 no hydrogen 3.063 N/A ARG 541.A NH1 GLU 530.A O no hydrogen 2.741 N/A ARG 541.A NH1 ARG 532.A O no hydrogen 3.192 N/A ARG 541.A NH2 ASP 543.A OD2 no hydrogen 2.727 N/A GLU 542.A N ARG 474.A O no hydrogen 3.167 N/A ARG 547.A NE ASP 549.A OD2 no hydrogen 2.951 N/A ARG 547.A NH1 ASP 78.A OD1 no hydrogen 2.969 N/A ARG 547.A NH1 ALA 607.A O no hydrogen 2.915 N/A ARG 547.A NH2 ASP 549.A OD2 no hydrogen 2.906 N/A ARG 547.A NH2 ALA 607.A O no hydrogen 2.495 N/A ILE 548.A N GLU 534.A OE1 no hydrogen 3.029 N/A GLU 550.A N GLU 550.A OE1 no hydrogen 2.618 N/A TYR 553.A OH GLU 550.A OE2 no hydrogen 2.672 N/A SER 554.A N ASP 552.A OD1 no hydrogen 3.321 N/A SER 554.A OG ASP 552.A OD1 no hydrogen 2.595 N/A LYS 555.A N ASP 552.A O no hydrogen 3.091 N/A LYS 555.A NZ SER 554.A OG no hydrogen 3.311 N/A GLN 560.A N ILE 557.A O no hydrogen 3.104 N/A GLN 560.A NE2 ASP 552.A O no hydrogen 3.376 N/A LYS 563.A N GLU 550.A O no hydrogen 2.966 N/A GLU 566.A N GLU 566.A OE1 no hydrogen 2.715 N/A GLU 567.A N PRO 564.A O no hydrogen 3.126 N/A HIS 568.A N PRO 564.A O no hydrogen 3.477 N/A TRP 569.A N ILE 548.A O no hydrogen 3.035 N/A ARG 570.A N HIS 568.A ND1 no hydrogen 3.075 N/A ARG 570.A NE GLU 550.A OE1 no hydrogen 2.745 N/A ARG 570.A NE GLU 550.A OE2 no hydrogen 3.395 N/A ARG 570.A NH1 TRP 79.A O no hydrogen 3.002 N/A ARG 570.A NH1 ASP 593.A OD1 no hydrogen 3.149 N/A ARG 570.A NH2 GLU 550.A OE2 no hydrogen 3.025 N/A ARG 570.A NH2 ASP 593.A OD2 no hydrogen 2.528 N/A LYS 571.A N TRP 569.A O no hydrogen 2.831 N/A LYS 571.A NZ PHE 565.A O no hydrogen 3.063 N/A LYS 571.A NZ HIS 568.A O no hydrogen 3.222 N/A HIS 572.A N ARG 589.A O no hydrogen 2.906 N/A HIS 572.A ND1 ASP 236.A OD2 no hydrogen 2.678 N/A HIS 572.A NE2 ASP 82.A OD1 no hydrogen 2.712 N/A THR 573.A N ASP 236.A OD1 no hydrogen 2.831 N/A THR 573.A OG1 GLU 238.A OE2 no hydrogen 2.675 N/A LEU 574.A N GLU 587.A O no hydrogen 2.755 N/A SER 575.A N CYS 234.A O no hydrogen 2.910 N/A SER 575.A OG CYS 234.A O no hydrogen 3.298 N/A SER 575.A OG GLN 524.A OE1 no hydrogen 2.565 N/A TYR 576.A N THR 585.A O no hydrogen 2.777 N/A TYR 576.A OH GLU 587.A OE1 no hydrogen 2.966 N/A ASP 578.A N LYS 583.A O no hydrogen 2.893 N/A GLY 580.A N ASP 578.A OD1 no hydrogen 3.170 N/A GLY 582.A N ASP 578.A O no hydrogen 2.488 N/A THR 585.A N TYR 576.A O no hydrogen 2.889 N/A GLU 587.A N LEU 574.A O no hydrogen 2.720 N/A ARG 589.A N HIS 572.A O no hydrogen 3.317 N/A ARG 589.A NE GLN 235.A OE1 no hydrogen 2.503 N/A ARG 589.A NH1 ASP 376.A OD2 no hydrogen 2.752 N/A ARG 589.A NH2 GLN 235.A OE1 no hydrogen 2.947 N/A ILE 592.A N ASP 82.A OD1 no hydrogen 3.346 N/A THR 595.A OG1 GLU 598.A OE1 no hydrogen 3.565 N/A THR 595.A OG1 CYS 601.A O no hydrogen 2.860 N/A LEU 596.A N HIS 87.A ND1 no hydrogen 3.155 N/A ASN 597.A N THR 595.A OG1 no hydrogen 3.226 N/A ALA 599.A N ASN 597.A OD1 no hydrogen 3.257 N/A ASP 600.A N ASN 597.A O no hydrogen 3.234 N/A CYS 601.A N ASN 597.A O no hydrogen 2.980 N/A THR 603.A N GLU 598.A OE2 no hydrogen 2.715 N/A THR 603.A OG1 ASP 593.A O no hydrogen 2.802 N/A THR 603.A OG1 GLU 598.A OE1 no hydrogen 3.277 N/A THR 603.A OG1 GLU 598.A OE2 no hydrogen 3.567 N/A VAL 604.A N GLN 83.A OE1 no hydrogen 3.084 N/A ARG 609.A NH1 GLY 537.A O no hydrogen 2.866 N/A