Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1od2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 ALA 1.A O no hydrogen 2.471 N/A THR 2.A OG1 TYR 4.A O no hydrogen 3.089 N/A TRP 9.A N VAL 6.A O no hydrogen 3.230 N/A LEU 10.A N VAL 6.A O no hydrogen 3.254 N/A GLN 11.A N LYS 7.A O no hydrogen 3.299 N/A GLN 11.A NE2 PRO 73.A O no hydrogen 3.090 N/A LYS 13.A N GLN 11.A OE1 no hydrogen 2.998 N/A ARG 14.A N GLN 11.A O no hydrogen 3.205 N/A ARG 14.A NE LYS 7.A O no hydrogen 3.179 N/A ARG 14.A NH1 ASP 26.A OD2 no hydrogen 3.105 N/A LYS 16.A N PRO 12.A O no hydrogen 2.986 N/A ALA 17.A N LYS 13.A O no hydrogen 2.849 N/A HIS 18.A N ARG 14.A O no hydrogen 3.071 N/A LEU 19.A N TYR 15.A O no hydrogen 2.663 N/A THR 21.A N ALA 17.A O no hydrogen 3.375 N/A THR 21.A OG1 THR 242.A O no hydrogen 3.169 N/A THR 22.A N ASP 307.A OD2 no hydrogen 3.111 N/A THR 22.A OG1 ASP 307.A OD2 no hydrogen 3.133 N/A TYR 25.A OH GLU 57.A OE2 no hydrogen 2.708 N/A ASP 26.A N TYR 23.A O no hydrogen 2.614 N/A PHE 27.A N VAL 24.A O no hydrogen 3.286 N/A PHE 31.A N PHE 27.A O no hydrogen 3.033 N/A PHE 31.A N PRO 28.A O no hydrogen 2.847 N/A ARG 32.A N PRO 28.A O no hydrogen 3.000 N/A GLN 33.A N GLU 29.A O no hydrogen 2.890 N/A GLN 33.A NE2 GLU 29.A OE2 no hydrogen 2.650 N/A ALA 34.A N LEU 30.A O no hydrogen 3.141 N/A SER 35.A N PHE 31.A O no hydrogen 3.014 N/A SER 35.A OG PHE 31.A O no hydrogen 2.881 N/A SER 36.A N ARG 32.A O no hydrogen 2.864 N/A SER 37.A N GLN 33.A O no hydrogen 3.167 N/A GLN 38.A N ALA 34.A O no hydrogen 2.961 N/A GLN 38.A NE2 GLU 90.A OE2 no hydrogen 3.435 N/A TRP 39.A N SER 35.A O no hydrogen 3.369 N/A TRP 39.A NE1 LYS 87.A O no hydrogen 2.844 N/A LYS 40.A N SER 36.A O no hydrogen 3.068 N/A ASN 41.A N SER 37.A O no hydrogen 2.851 N/A PHE 42.A N TRP 39.A O no hydrogen 3.013 N/A SER 43.A N TRP 39.A O no hydrogen 2.784 N/A VAL 46.A N SER 43.A O no hydrogen 2.993 N/A THR 49.A OG1 ASP 51.A OD1 no hydrogen 2.767 N/A ILE 54.A N THR 85.A O no hydrogen 3.138 N/A ASN 56.A N LYS 83.A O no hydrogen 3.001 N/A LEU 58.A N ALA 81.A O no hydrogen 3.021 N/A ILE 59.A N THR 67.A O no hydrogen 3.179 N/A ASP 61.A N GLU 65.A O no hydrogen 2.982 N/A GLU 65.A N ASP 61.A OD2 no hydrogen 2.803 N/A THR 67.A N ILE 59.A O no hydrogen 2.901 N/A THR 67.A OG1 ILE 59.A O no hydrogen 3.567 N/A VAL 69.A N GLU 57.A O no hydrogen 3.010 N/A ARG 71.A NE GLU 57.A OE1 no hydrogen 2.804 N/A ARG 71.A NH2 TYR 25.A OH no hydrogen 3.235 N/A ARG 71.A NH2 GLU 57.A OE2 no hydrogen 3.199 N/A GLY 79.A N GLU 115.A OE1 no hydrogen 3.143 N/A PHE 82.A N VAL 99.A O no hydrogen 2.920 N/A LYS 83.A N ASN 56.A O no hydrogen 2.754 N/A LYS 83.A NZ GLU 68.A OE1 no hydrogen 3.300 N/A ILE 84.A N PHE 97.A O no hydrogen 2.886 N/A THR 85.A N ILE 54.A O no hydrogen 2.948 N/A VAL 86.A N ARG 95.A O no hydrogen 2.974 N/A LYS 87.A N PHE 52.A O no hydrogen 2.678 N/A LYS 87.A NZ ASP 51.A OD2 no hydrogen 3.312 N/A THR 88.A N TYR 91.A O no hydrogen 3.174 N/A THR 88.A OG1 GLU 90.A OE2 no hydrogen 2.634 N/A TYR 91.A N THR 88.A O no hydrogen 2.778 N/A GLY 94.A N TYR 91.A O no hydrogen 2.461 N/A ARG 95.A N VAL 86.A O no hydrogen 2.974 N/A ARG 95.A NH2 VAL 320.A O no hydrogen 3.062 N/A PHE 97.A N ILE 84.A O no hydrogen 3.009 N/A VAL 98.A N PRO 132.A O no hydrogen 3.084 N/A VAL 99.A N PHE 82.A O no hydrogen 2.858 N/A VAL 100.A N ILE 134.A O no hydrogen 2.685 N/A ALA 101.A N VAL 80.A O no hydrogen 2.897 N/A ASN 102.A ND2 TYR 135.A OH no hydrogen 3.323 N/A ASP 103.A N GLY 79.A O no hydrogen 2.825 N/A THR 105.A N ASP 103.A OD1 no hydrogen 3.014 N/A THR 105.A OG1 ASP 103.A OD1 no hydrogen 2.345 N/A PHE 106.A N ASP 103.A O no hydrogen 3.170 N/A GLY 109.A N PHE 106.A O no hydrogen 2.951 N/A SER 110.A N LYS 107.A O no hydrogen 2.796 N/A SER 110.A OG LYS 107.A O no hydrogen 2.767 N/A PHE 111.A N GLY 141.A O no hydrogen 2.553 N/A GLY 112.A N GLU 115.A OE2 no hydrogen 2.754 N/A GLU 115.A N GLU 115.A OE2 no hydrogen 2.775 N/A ASP 116.A N GLY 112.A O no hydrogen 2.837 N/A GLU 117.A N PRO 113.A O no hydrogen 2.822 N/A PHE 118.A N GLN 114.A O no hydrogen 3.079 N/A PHE 119.A N GLU 115.A O no hydrogen 2.811 N/A ASN 120.A N ASP 116.A O no hydrogen 2.868 N/A ASN 120.A ND2 LEU 223.A O no hydrogen 3.572 N/A LYS 121.A N GLU 117.A O no hydrogen 2.798 N/A LYS 121.A NZ GLU 65.A OE2 no hydrogen 3.352 N/A VAL 122.A N PHE 118.A O no hydrogen 2.900 N/A THR 123.A N PHE 119.A O no hydrogen 3.219 N/A THR 123.A OG1 PHE 119.A O no hydrogen 2.974 N/A GLU 124.A N ASN 120.A O no hydrogen 3.179 N/A TYR 125.A N VAL 122.A O no hydrogen 3.031 N/A ALA 126.A N VAL 122.A O no hydrogen 3.115 N/A ARG 127.A N THR 123.A O no hydrogen 2.929 N/A ARG 127.A NE ASP 234.A OD1 no hydrogen 2.687 N/A ARG 127.A NH2 ASP 234.A OD1 no hydrogen 3.147 N/A LYS 128.A N GLU 124.A O no hydrogen 2.979 N/A ARG 129.A N ALA 126.A O no hydrogen 2.941 N/A ARG 129.A NH1 TYR 125.A O no hydrogen 2.530 N/A GLY 130.A N ALA 126.A O no hydrogen 2.615 N/A ILE 131.A N ALA 126.A O no hydrogen 3.232 N/A ARG 133.A N PHE 236.A O no hydrogen 2.962 N/A ARG 133.A NE ARG 133.A O no hydrogen 2.538 N/A ARG 133.A NH2 ARG 133.A O no hydrogen 3.207 N/A ARG 133.A NH2 ILE 238.A O no hydrogen 3.313 N/A ILE 134.A N VAL 98.A O no hydrogen 2.736 N/A TYR 135.A N ILE 238.A O no hydrogen 3.005 N/A TYR 135.A OH ASN 102.A OD1 no hydrogen 3.065 N/A LEU 136.A N VAL 100.A O no hydrogen 2.738 N/A ALA 137.A N LEU 240.A O no hydrogen 2.827 N/A ALA 138.A N ASN 102.A OD1 no hydrogen 3.123 N/A ASN 139.A N ARG 244.A O no hydrogen 2.993 N/A SER 140.A OG ILE 108.A O no hydrogen 2.488 N/A ARG 143.A N PHE 111.A O no hydrogen 3.014 N/A ARG 143.A NE SER 110.A OG no hydrogen 2.865 N/A ARG 143.A NH2 SER 110.A OG no hydrogen 3.401 N/A ARG 143.A NH2 GLU 115.A OE1 no hydrogen 2.597 N/A GLU 147.A N GLU 210.A OE1 no hydrogen 3.060 N/A ILE 149.A N ALA 146.A O no hydrogen 3.329 N/A LEU 152.A N ILE 149.A O no hydrogen 3.304 N/A GLN 154.A N TYR 171.A O no hydrogen 2.786 N/A ALA 156.A N TYR 169.A O no hydrogen 2.936 N/A ASN 158.A N GLY 166.A O no hydrogen 2.826 N/A ASN 158.A ND2 LYS 165.A O no hydrogen 2.991 N/A ASN 162.A N ASP 159.A O no hydrogen 2.625 N/A ASN 162.A ND2 ASP 164.A OD1 no hydrogen 3.345 N/A ASN 162.A ND2 ASP 164.A OD2 no hydrogen 3.201 N/A LYS 165.A N ASN 162.A O no hydrogen 2.785 N/A GLY 166.A N PRO 163.A O no hydrogen 2.686 N/A GLN 168.A N ALA 156.A O no hydrogen 2.708 N/A TYR 171.A N GLN 154.A O no hydrogen 3.317 N/A LEU 172.A N PHE 201.A O no hydrogen 2.928 N/A GLY 176.A N THR 173.A OG1 no hydrogen 2.979 N/A THR 178.A N GLU 175.A O no hydrogen 2.619 N/A THR 178.A OG1 GLU 175.A O no hydrogen 2.930 N/A LEU 179.A N GLY 176.A O no hydrogen 3.267 N/A LYS 180.A NZ ASP 183.A OD2 no hydrogen 2.633 N/A LYS 180.A NZ GLU 185.A OE1 no hydrogen 2.524 N/A LYS 181.A N GLU 177.A O no hydrogen 3.069 N/A PHE 182.A N LEU 179.A O no hydrogen 3.241 N/A ASP 183.A N LYS 180.A O no hydrogen 2.765 N/A ASN 186.A N ASN 186.A OD1 no hydrogen 2.421 N/A SER 187.A OG GLU 148.A OE1 no hydrogen 2.850 N/A SER 187.A OG LYS 184.A O no hydrogen 3.320 N/A VAL 188.A N GLU 185.A O no hydrogen 3.075 N/A LEU 189.A N THR 205.A O no hydrogen 3.118 N/A ARG 192.A NH1 GLU 199.A OE2 no hydrogen 3.536 N/A THR 193.A OG1 ARG 192.A O no hydrogen 2.381 N/A ILE 195.A N GLU 198.A O no hydrogen 2.907 N/A GLY 197.A N ILE 195.A O no hydrogen 2.344 N/A ARG 200.A N THR 193.A O no hydrogen 2.559 N/A ARG 200.A NH1 GLU 198.A OE2 no hydrogen 3.533 N/A ARG 200.A NH2 TYR 169.A OH no hydrogen 3.201 N/A PHE 201.A N LEU 172.A O no hydrogen 3.144 N/A VAL 202.A N GLU 191.A O no hydrogen 3.305 N/A ILE 203.A N LEU 170.A O no hydrogen 3.175 N/A LYS 204.A N LEU 189.A O no hydrogen 2.674 N/A THR 205.A OG1 LYS 204.A O no hydrogen 2.551 N/A ILE 207.A N SER 187.A O no hydrogen 3.061 N/A GLY 208.A N SER 187.A O no hydrogen 3.153 N/A SER 209.A N GLU 148.A OE1 no hydrogen 3.259 N/A SER 209.A OG GLU 148.A OE1 no hydrogen 2.797 N/A GLY 212.A N GLU 216.A OE2 no hydrogen 2.912 N/A LEU 213.A N GLU 216.A OE2 no hydrogen 3.290 N/A GLY 214.A N GLU 216.A OE1 no hydrogen 2.937 N/A GLU 216.A N GLU 216.A OE1 no hydrogen 2.946 N/A CYS 217.A N GLY 214.A O no hydrogen 2.590 N/A CYS 217.A SG PHE 111.A O no hydrogen 3.928 N/A CYS 217.A SG ARG 143.A O no hydrogen 3.391 N/A LEU 218.A N GLY 214.A O no hydrogen 3.300 N/A ARG 219.A N VAL 215.A O no hydrogen 2.750 N/A SER 221.A N CYS 217.A O no hydrogen 2.885 N/A SER 221.A N LEU 218.A O no hydrogen 2.861 N/A SER 221.A OG CYS 217.A O no hydrogen 3.381 N/A GLY 222.A N LEU 218.A O no hydrogen 3.147 N/A LEU 223.A N ARG 219.A O no hydrogen 3.235 N/A ILE 224.A N GLY 220.A O no hydrogen 3.445 N/A ALA 225.A N SER 221.A O no hydrogen 2.823 N/A GLY 226.A N GLY 222.A O no hydrogen 3.328 N/A ALA 227.A N LEU 223.A O no hydrogen 3.303 N/A THR 228.A N ILE 224.A O no hydrogen 3.159 N/A THR 228.A OG1 ILE 224.A O no hydrogen 2.722 N/A SER 229.A N ALA 225.A O no hydrogen 3.098 N/A ARG 230.A N GLY 226.A O no hydrogen 2.991 N/A ARG 230.A NH1 GLY 226.A O no hydrogen 3.333 N/A ALA 231.A N ALA 227.A O no hydrogen 2.996 N/A TYR 232.A N THR 228.A O no hydrogen 2.926 N/A TYR 232.A OH ASP 446.A OD1 no hydrogen 2.625 N/A HIS 233.A N ARG 230.A O no hydrogen 3.144 N/A ASP 234.A N ALA 231.A O no hydrogen 2.722 N/A ILE 235.A N ALA 231.A O no hydrogen 2.720 N/A THR 237.A OG1 GLY 256.A O no hydrogen 2.635 N/A THR 239.A N ARG 258.A O no hydrogen 2.975 N/A LEU 240.A N TYR 135.A O no hydrogen 2.809 N/A VAL 241.A N ILE 260.A O no hydrogen 2.915 N/A THR 242.A N ALA 137.A O no hydrogen 2.911 N/A THR 242.A OG1 ALA 137.A O no hydrogen 3.185 N/A ARG 244.A NE ASN 139.A O no hydrogen 3.029 N/A SER 245.A N PRO 266.A O no hydrogen 2.966 N/A SER 245.A OG ASN 139.A OD1 no hydrogen 3.384 N/A GLY 247.A N ILE 268.A O no hydrogen 3.127 N/A GLY 249.A N VAL 246.A O no hydrogen 2.834 N/A TYR 251.A N GLY 247.A O no hydrogen 3.110 N/A LEU 252.A N ILE 248.A O no hydrogen 2.662 N/A VAL 253.A N GLY 249.A O no hydrogen 3.343 N/A LEU 255.A N TYR 251.A O no hydrogen 3.024 N/A GLY 256.A N LEU 252.A O no hydrogen 3.087 N/A GLN 257.A N ARG 254.A O no hydrogen 2.480 N/A ARG 258.A NE THR 237.A O no hydrogen 2.714 N/A ARG 258.A NH1 GLU 451.A OE1 no hydrogen 3.551 N/A ARG 258.A NH2 THR 237.A O no hydrogen 3.323 N/A ILE 260.A N THR 239.A O no hydrogen 2.830 N/A GLN 261.A N LEU 302.A O no hydrogen 2.843 N/A VAL 262.A N VAL 241.A O no hydrogen 3.373 N/A GLU 263.A N ALA 304.A O no hydrogen 2.912 N/A GLN 265.A N VAL 262.A O no hydrogen 3.091 N/A GLN 265.A NE2 THR 242.A O no hydrogen 2.788 N/A ILE 267.A N GLY 290.A O no hydrogen 3.017 N/A ILE 268.A N SER 245.A O no hydrogen 2.693 N/A ALA 272.A N ASN 286.A OD1 no hydrogen 3.105 N/A ILE 275.A N GLY 271.A O no hydrogen 2.972 N/A ASN 276.A N ALA 272.A O no hydrogen 2.833 N/A ASN 276.A ND2 TYR 283.A O no hydrogen 3.059 N/A LYS 277.A N PRO 273.A O no hydrogen 3.243 N/A GLY 279.A N LYS 277.A O no hydrogen 2.771 N/A ARG 280.A N ASN 276.A O no hydrogen 3.049 N/A TYR 283.A N ASN 276.A OD1 no hydrogen 2.816 N/A THR 284.A N GLN 288.A OE1 no hydrogen 2.550 N/A LEU 287.A N SER 285.A OG no hydrogen 3.182 N/A GLN 288.A N SER 285.A O no hydrogen 3.063 N/A LEU 289.A N ASN 286.A O no hydrogen 2.687 N/A GLY 290.A N ASN 286.A O no hydrogen 2.892 N/A GLY 291.A N LEU 287.A O no hydrogen 2.873 N/A GLN 293.A N GLN 293.A OE1 no hydrogen 2.560 N/A GLN 293.A NE2 LEU 287.A O no hydrogen 3.170 N/A ILE 294.A N GLY 291.A O no hydrogen 3.103 N/A TYR 295.A OH SER 379.A OG no hydrogen 2.373 N/A HIS 301.A N ALA 259.A O no hydrogen 2.747 N/A LEU 302.A N ALA 259.A O no hydrogen 3.344 N/A ALA 304.A N GLN 261.A O no hydrogen 2.845 N/A ALA 309.A N ASP 306.A OD1 no hydrogen 2.774 N/A GLY 310.A N ASP 306.A O no hydrogen 3.004 N/A VAL 311.A N ASP 307.A O no hydrogen 3.091 N/A GLU 312.A N LEU 308.A O no hydrogen 2.910 N/A LYS 313.A N ALA 309.A O no hydrogen 3.129 N/A LYS 313.A NZ THR 303.A O no hydrogen 2.719 N/A ILE 314.A N GLY 310.A O no hydrogen 3.309 N/A ILE 314.A N VAL 311.A O no hydrogen 3.029 N/A VAL 315.A N VAL 311.A O no hydrogen 3.070 N/A GLU 316.A N GLU 312.A O no hydrogen 2.987 N/A TRP 317.A N LYS 313.A O no hydrogen 3.095 N/A TRP 317.A NE1 GLU 451.A OE1 no hydrogen 3.052 N/A SER 318.A OG GLU 316.A O no hydrogen 2.378 N/A TYR 319.A N TRP 317.A O no hydrogen 3.261 N/A TYR 319.A OH SER 373.A O no hydrogen 2.743 N/A ALA 322.A N TYR 91.A OH no hydrogen 3.102 N/A LYS 323.A NZ ARG 129.A O no hydrogen 3.112 N/A ARG 324.A N GLY 130.A O no hydrogen 2.749 N/A ARG 324.A NE ASP 234.A O no hydrogen 3.565 N/A ARG 324.A NE ASP 234.A OD2 no hydrogen 2.683 N/A ARG 324.A NH2 ARG 127.A O no hydrogen 2.366 N/A ARG 324.A NH2 ASP 234.A OD1 no hydrogen 3.188 N/A ARG 324.A NH2 ASP 234.A OD2 no hydrogen 2.754 N/A ASN 325.A N GLN 452.A OE1 no hydrogen 2.700 N/A LEU 330.A N GLY 394.A O no hydrogen 2.895 N/A THR 332.A OG1 ASP 370.A OD1 no hydrogen 3.477 N/A LYS 333.A NZ LYS 333.A O no hydrogen 3.033 N/A THR 335.A N LYS 333.A O no hydrogen 3.132 N/A ASP 337.A N THR 335.A OG1 no hydrogen 3.259 N/A ARG 338.A N TRP 336.A O no hydrogen 2.857 N/A ARG 338.A NE ASP 334.A OD1 no hydrogen 2.595 N/A ARG 338.A NE ASP 334.A OD2 no hydrogen 3.275 N/A ARG 338.A NH1 PRO 339.A O no hydrogen 2.834 N/A ARG 338.A NH1 GLY 367.A O no hydrogen 3.121 N/A ARG 338.A NH2 ASP 334.A OD2 no hydrogen 2.815 N/A ARG 338.A NH2 GLY 367.A O no hydrogen 3.252 N/A VAL 340.A N THR 616.A O no hydrogen 3.050 N/A ASP 341.A N TYR 366.A O no hydrogen 2.857 N/A PHE 342.A N TYR 366.A O no hydrogen 3.279 N/A THR 343.A OG1 ASP 341.A O no hydrogen 2.914 N/A THR 345.A OG1 GLU 348.A OE2 no hydrogen 3.498 N/A ASN 346.A ND2 THR 497.A O no hydrogen 3.350 N/A ASP 347.A N THR 345.A O no hydrogen 2.464 N/A GLU 348.A N GLU 348.A OE1 no hydrogen 2.557 N/A ARG 353.A N ASP 351.A OD1 no hydrogen 2.886 N/A ARG 353.A NE GLU 376.A OE1 no hydrogen 3.092 N/A ARG 353.A NH1 ASP 351.A OD1 no hydrogen 2.426 N/A TRP 354.A N ASP 351.A O no hydrogen 2.999 N/A GLU 356.A N ARG 353.A O no hydrogen 2.710 N/A GLY 357.A N TRP 354.A O no hydrogen 2.645 N/A ARG 358.A N GLU 365.A O no hydrogen 2.865 N/A THR 360.A OG1 SER 362.A OG no hydrogen 3.429 N/A THR 360.A OG1 GLY 363.A O no hydrogen 2.667 N/A SER 362.A N THR 360.A OG1 no hydrogen 3.326 N/A SER 362.A OG THR 360.A OG1 no hydrogen 3.429 N/A GLY 363.A N THR 360.A O no hydrogen 3.119 N/A GLU 365.A N ARG 358.A O no hydrogen 2.928 N/A PHE 369.A N ILE 355.A O no hydrogen 2.900 N/A ASP 370.A N ARG 391.A O no hydrogen 2.907 N/A LYS 371.A N ASP 334.A OD2 no hydrogen 3.055 N/A SER 373.A N ASP 370.A O no hydrogen 3.101 N/A SER 373.A OG ASP 370.A O no hydrogen 3.176 N/A SER 373.A OG ARG 391.A O no hydrogen 3.385 N/A PHE 375.A N ARG 389.A O no hydrogen 2.760 N/A THR 377.A N VAL 387.A O no hydrogen 3.015 N/A LEU 378.A N HIS 301.A O no hydrogen 2.823 N/A SER 379.A OG TYR 295.A OH no hydrogen 2.373 N/A TRP 381.A N LEU 378.A O no hydrogen 3.276 N/A VAL 385.A N ALA 382.A O no hydrogen 3.233 N/A VAL 386.A N GLY 401.A O no hydrogen 2.872 N/A GLY 388.A N VAL 399.A O no hydrogen 3.043 N/A ARG 389.A N PHE 375.A O no hydrogen 3.029 N/A ARG 389.A NE GLU 451.A OE1 no hydrogen 3.428 N/A ARG 389.A NE GLU 451.A OE2 no hydrogen 2.840 N/A ARG 389.A NH1 THR 377.A OG1 no hydrogen 3.285 N/A ARG 389.A NH2 GLU 451.A OE1 no hydrogen 3.078 N/A ALA 390.A N LEU 397.A O no hydrogen 2.916 N/A ARG 391.A N SER 373.A OG no hydrogen 2.908 N/A ARG 391.A NH1 SER 318.A O no hydrogen 3.459 N/A ARG 391.A NH2 SER 318.A O no hydrogen 2.844 N/A LEU 392.A N ILE 395.A O no hydrogen 2.774 N/A GLY 393.A N ASP 370.A OD2 no hydrogen 2.818 N/A GLY 394.A N ASP 370.A OD1 no hydrogen 2.911 N/A ILE 395.A N LEU 392.A O no hydrogen 3.232 N/A LEU 397.A N ALA 390.A O no hydrogen 2.933 N/A GLY 398.A N PRO 454.A O no hydrogen 2.888 N/A VAL 399.A N GLY 388.A O no hydrogen 2.814 N/A GLY 401.A N VAL 386.A O no hydrogen 2.714 N/A GLU 403.A N GLY 384.A O no hydrogen 2.850 N/A THR 404.A OG1 TYR 350.A O no hydrogen 3.222 N/A ARG 405.A N GLU 403.A OE2 no hydrogen 3.357 N/A VAL 407.A N GLU 427.A O no hydrogen 3.051 N/A ASN 409.A N ILE 425.A O no hydrogen 2.782 N/A ILE 411.A N THR 423.A O no hydrogen 2.678 N/A ASP 414.A N SER 420.A OG no hydrogen 2.802 N/A ALA 416.A N ASP 414.A OD2 no hydrogen 2.774 N/A ASN 417.A N ASP 414.A O no hydrogen 2.971 N/A SER 420.A N ASN 417.A O no hydrogen 2.744 N/A THR 423.A N ILE 411.A O no hydrogen 2.969 N/A ILE 425.A N ASN 409.A O no hydrogen 2.640 N/A GLU 427.A N VAL 407.A O no hydrogen 2.937 N/A TRP 432.A N GLY 461.A O no hydrogen 2.847 N/A TRP 432.A NE1 THR 440.A OG1 no hydrogen 2.933 N/A HIS 433.A N SER 436.A OG no hydrogen 2.669 N/A HIS 433.A ND1 VAL 431.A O no hydrogen 2.927 N/A ASN 435.A ND2 GLU 427.A OE2 no hydrogen 3.057 N/A SER 436.A OG HIS 433.A O no hydrogen 3.263 N/A ALA 437.A N HIS 433.A O no hydrogen 2.905 N/A PHE 438.A N PRO 434.A O no hydrogen 3.157 N/A LYS 439.A N ASN 435.A O no hydrogen 2.865 N/A LYS 439.A NZ LEU 378.A O no hydrogen 3.063 N/A LYS 439.A NZ TRP 381.A O no hydrogen 2.663 N/A LYS 439.A NZ ALA 382.A O no hydrogen 3.150 N/A LYS 439.A NZ VAL 385.A O no hydrogen 3.165 N/A THR 440.A N SER 436.A O no hydrogen 2.952 N/A THR 440.A OG1 SER 436.A O no hydrogen 2.694 N/A ALA 441.A N ALA 437.A O no hydrogen 2.906 N/A GLN 442.A N PHE 438.A O no hydrogen 2.805 N/A ALA 443.A N LYS 439.A O no hydrogen 2.898 N/A ILE 444.A N THR 440.A O no hydrogen 2.980 N/A ASN 445.A N ALA 441.A O no hydrogen 2.989 N/A ASP 446.A N GLN 442.A O no hydrogen 2.885 N/A PHE 447.A N ALA 443.A O no hydrogen 3.016 N/A ASN 448.A N ILE 444.A O no hydrogen 3.181 N/A ASN 448.A ND2 ASP 485.A O no hydrogen 3.117 N/A ASN 449.A N ASN 445.A O no hydrogen 2.987 N/A LEU 453.A N PHE 447.A O no hydrogen 2.904 N/A LEU 456.A N ILE 400.A O no hydrogen 2.975 N/A ASN 458.A ND2 GLN 430.A OE1 no hydrogen 2.977 N/A ARG 460.A N GLN 430.A O no hydrogen 2.649 N/A ARG 460.A NE GLU 529.A OE1 no hydrogen 3.056 N/A SER 463.A N TRP 432.A O no hydrogen 3.000 N/A SER 463.A OG ASP 468.A OD1 no hydrogen 2.582 N/A ARG 467.A NH1 ASP 468.A OD2 no hydrogen 3.168 N/A VAL 472.A N ASP 468.A O no hydrogen 3.070 N/A LYS 474.A N GLU 471.A O no hydrogen 2.930 N/A LYS 474.A NZ GLU 471.A OE1 no hydrogen 3.083 N/A TYR 475.A N GLU 471.A O no hydrogen 3.385 N/A GLY 476.A N VAL 472.A O no hydrogen 2.905 N/A SER 477.A N LEU 473.A O no hydrogen 3.111 N/A SER 477.A OG LEU 473.A O no hydrogen 2.793 N/A PHE 478.A N LYS 474.A O no hydrogen 3.068 N/A ILE 479.A N GLY 476.A O no hydrogen 3.241 N/A VAL 480.A N SER 477.A O no hydrogen 2.836 N/A ASP 481.A N SER 477.A O no hydrogen 3.270 N/A ALA 482.A N PHE 478.A O no hydrogen 2.921 N/A LEU 483.A N ILE 479.A O no hydrogen 3.046 N/A VAL 484.A N VAL 480.A O no hydrogen 2.920 N/A ASP 485.A N ASP 481.A O no hydrogen 3.110 N/A TYR 486.A N ALA 482.A O no hydrogen 3.072 N/A TYR 486.A N LEU 483.A O no hydrogen 3.302 N/A TYR 486.A OH LEU 453.A O no hydrogen 2.496 N/A LYS 487.A N ASN 448.A OD1 no hydrogen 2.800 N/A ILE 490.A N GLN 516.A O no hydrogen 2.694 N/A ILE 492.A N GLU 517.A O no hydrogen 2.793 N/A TYR 493.A N ILE 455.A O no hydrogen 2.885 N/A TYR 493.A OH ASP 520.A OD2 no hydrogen 2.981 N/A ILE 494.A N TYR 518.A O no hydrogen 2.987 N/A GLY 498.A N PRO 495.A O no hydrogen 2.797 N/A GLU 499.A N ASN 458.A OD1 no hydrogen 2.846 N/A ARG 501.A N TRP 459.A O no hydrogen 3.194 N/A ARG 501.A NE GLU 499.A OE1 no hydrogen 2.938 N/A ARG 501.A NH1 ASP 599.A OD2 no hydrogen 3.159 N/A ARG 501.A NH2 GLU 499.A OE1 no hydrogen 3.356 N/A GLY 502.A N VAL 527.A O no hydrogen 3.267 N/A SER 504.A OG TRP 459.A O no hydrogen 3.003 N/A SER 504.A OG ARG 501.A O no hydrogen 2.807 N/A TRP 505.A N ARG 501.A O no hydrogen 2.811 N/A TRP 505.A N GLY 502.A O no hydrogen 2.950 N/A TRP 505.A NE1 ASP 509.A OD2 no hydrogen 2.930 N/A VAL 508.A N TRP 505.A O no hydrogen 3.046 N/A THR 511.A N ASP 509.A OD1 no hydrogen 2.673 N/A THR 511.A OG1 ASP 509.A OD1 no hydrogen 2.477 N/A ILE 512.A N ASP 509.A O no hydrogen 2.804 N/A ASN 513.A N PRO 510.A O no hydrogen 3.023 N/A GLN 516.A N ASN 513.A O no hydrogen 3.073 N/A GLN 516.A NE2 GLU 633.A OE1 no hydrogen 2.796 N/A TYR 518.A OH GLU 517.A OE2 no hydrogen 2.642 N/A ALA 519.A N LYS 611.A O no hydrogen 3.324 N/A ASP 520.A N ILE 494.A O no hydrogen 2.949 N/A VAL 521.A N LEU 613.A O no hydrogen 3.006 N/A ASN 522.A N ASP 520.A OD1 no hydrogen 2.675 N/A ALA 523.A N ASP 520.A O no hydrogen 2.773 N/A ARG 524.A N GLY 498.A O no hydrogen 3.186 N/A ARG 524.A NE ASP 596.A OD1 no hydrogen 2.612 N/A ARG 524.A NE ASP 596.A OD2 no hydrogen 2.743 N/A ARG 524.A NH1 ALA 523.A O no hydrogen 2.978 N/A ARG 524.A NH2 ASP 596.A OD2 no hydrogen 2.965 N/A ALA 525.A N ASP 599.A O no hydrogen 3.189 N/A GLN 531.A N GLN 531.A OE1 no hydrogen 2.475 N/A GLY 534.A N GLN 531.A O no hydrogen 3.361 N/A PHE 537.A N VAL 533.A O no hydrogen 2.920 N/A ARG 538.A NH1 ILE 535.A O no hydrogen 3.377 N/A LEU 542.A N ARG 538.A O no hydrogen 2.842 N/A LEU 543.A N ARG 539.A O no hydrogen 2.761 N/A ASP 544.A N GLU 540.A O no hydrogen 2.933 N/A THR 545.A N LYS 541.A O no hydrogen 3.099 N/A THR 545.A OG1 LYS 541.A O no hydrogen 2.970 N/A ARG 547.A N ASP 544.A O no hydrogen 3.168 N/A LEU 548.A N THR 545.A O no hydrogen 2.836 N/A TYR 552.A N ASP 549.A OD2 no hydrogen 2.965 N/A TYR 552.A OH GLU 580.A OE1 no hydrogen 2.727 N/A ARG 553.A N ASP 549.A O no hydrogen 3.048 N/A GLU 554.A N ASP 550.A O no hydrogen 2.973 N/A LEU 555.A N LYS 551.A O no hydrogen 3.020 N/A ARG 556.A N TYR 552.A O no hydrogen 2.874 N/A ARG 556.A NE TYR 552.A OH no hydrogen 3.335 N/A ARG 556.A NH2 TYR 552.A OH no hydrogen 3.518 N/A SER 557.A N ARG 553.A O no hydrogen 3.071 N/A SER 557.A OG ARG 553.A O no hydrogen 3.411 N/A GLN 558.A N GLU 554.A O no hydrogen 3.502 N/A GLN 558.A NE2 GLU 554.A O no hydrogen 3.545 N/A LEU 559.A N ARG 556.A O no hydrogen 2.926 N/A SER 560.A N SER 557.A O no hydrogen 2.840 N/A SER 560.A OG ARG 556.A O no hydrogen 3.156 N/A ASN 561.A ND2 SER 560.A O no hydrogen 3.114 N/A VAL 568.A N ALA 565.A O no hydrogen 2.679 N/A HIS 569.A N ALA 565.A O no hydrogen 2.960 N/A GLN 570.A N PRO 566.A O no hydrogen 2.947 N/A GLN 571.A N GLU 567.A O no hydrogen 3.164 N/A ILE 572.A N VAL 568.A O no hydrogen 2.963 N/A SER 573.A N HIS 569.A O no hydrogen 2.816 N/A SER 573.A OG HIS 569.A O no hydrogen 3.031 N/A LYS 574.A N GLN 570.A O no hydrogen 3.078 N/A LYS 574.A NZ ASP 578.A OD1 no hydrogen 3.114 N/A GLN 575.A NE2 GLN 571.A O no hydrogen 2.936 N/A LEU 576.A N ILE 572.A O no hydrogen 3.036 N/A LEU 576.A N SER 573.A O no hydrogen 2.955 N/A ALA 577.A N SER 573.A O no hydrogen 2.869 N/A ASP 578.A N LYS 574.A O no hydrogen 2.906 N/A ARG 579.A N GLN 575.A O no hydrogen 3.248 N/A ARG 579.A NE ASP 549.A OD2 no hydrogen 2.908 N/A ARG 579.A NH1 GLU 582.A OE1 no hydrogen 3.046 N/A ARG 579.A NH2 ASP 549.A OD1 no hydrogen 2.873 N/A ARG 579.A NH2 ASP 549.A OD2 no hydrogen 3.325 N/A GLU 580.A N LEU 576.A O no hydrogen 2.829 N/A ARG 581.A N ALA 577.A O no hydrogen 2.694 N/A GLU 582.A N ARG 579.A O no hydrogen 3.098 N/A LEU 583.A N ARG 579.A O no hydrogen 3.027 N/A LEU 584.A N GLU 580.A O no hydrogen 3.012 N/A TYR 587.A N LEU 583.A O no hydrogen 2.850 N/A GLY 588.A N LEU 584.A O no hydrogen 2.752 N/A GLN 589.A N PRO 585.A O no hydrogen 2.825 N/A ILE 590.A N ILE 586.A O no hydrogen 2.765 N/A SER 591.A N TYR 587.A O no hydrogen 2.923 N/A SER 591.A OG TYR 587.A O no hydrogen 3.318 N/A SER 591.A OG GLY 588.A O no hydrogen 2.588 N/A LEU 592.A N GLY 588.A O no hydrogen 3.302 N/A GLN 593.A N GLN 589.A O no hydrogen 3.315 N/A PHE 594.A N ILE 590.A O no hydrogen 3.099 N/A ALA 595.A N SER 591.A O no hydrogen 2.952 N/A ASP 596.A N LEU 592.A O no hydrogen 2.788 N/A LEU 597.A N PHE 594.A O no hydrogen 3.215 N/A HIS 598.A N ALA 595.A O no hydrogen 3.150 N/A ARG 600.A NE ASP 596.A OD2 no hydrogen 3.284 N/A ARG 600.A NH2 ASP 596.A OD2 no hydrogen 3.122 N/A SER 601.A OG GLU 612.A OE2 no hydrogen 2.905 N/A ARG 603.A N ARG 600.A O no hydrogen 2.849 N/A ALA 605.A N SER 602.A O no hydrogen 3.051 N/A LYS 606.A N ARG 603.A O no hydrogen 2.756 N/A GLY 607.A N VAL 604.A O no hydrogen 3.144 N/A LEU 613.A N ALA 519.A O no hydrogen 3.044 N/A TRP 615.A NE1 PHE 342.A O no hydrogen 3.137 N/A THR 616.A OG1 GLU 617.A OE1 no hydrogen 3.528 N/A GLU 617.A N GLU 614.A O no hydrogen 2.521 N/A ALA 618.A N TRP 615.A O no hydrogen 2.586 N/A ARG 619.A NE THR 335.A O no hydrogen 3.338 N/A ARG 619.A NH1 LEU 368.A O no hydrogen 2.833 N/A ARG 619.A NH1 ASP 370.A OD2 no hydrogen 3.294 N/A ARG 619.A NH2 THR 335.A O no hydrogen 2.894 N/A ARG 619.A NH2 ASP 370.A OD2 no hydrogen 2.667 N/A ARG 620.A NE ASP 337.A OD1 no hydrogen 2.580 N/A ARG 620.A NH1 GLU 617.A OE2 no hydrogen 3.006 N/A PHE 621.A N GLU 617.A O no hydrogen 2.976 N/A PHE 622.A N ALA 618.A O no hydrogen 2.688 N/A PHE 623.A N ARG 619.A O no hydrogen 2.839 N/A ARG 625.A N PHE 621.A O no hydrogen 3.078 N/A ARG 625.A NE GLU 517.A OE2 no hydrogen 2.908 N/A ARG 625.A NH1 ASP 668.A OD1 no hydrogen 2.871 N/A ARG 625.A NH2 GLU 517.A OE1 no hydrogen 2.587 N/A ARG 625.A NH2 GLU 517.A OE2 no hydrogen 3.090 N/A LEU 626.A N PHE 622.A O no hydrogen 2.872 N/A ARG 627.A N PHE 623.A O no hydrogen 3.338 N/A ARG 628.A N TRP 624.A O no hydrogen 3.238 N/A ARG 628.A NH1 HIS 665.A O no hydrogen 2.748 N/A ARG 629.A N ARG 625.A O no hydrogen 2.816 N/A ARG 629.A NH2 ILE 490.A O no hydrogen 3.113 N/A ARG 629.A NH2 GLN 516.A O no hydrogen 2.745 N/A LEU 630.A N LEU 626.A O no hydrogen 2.626 N/A ASN 631.A N ARG 627.A O no hydrogen 3.064 N/A GLU 632.A N ARG 628.A O no hydrogen 2.948 N/A GLU 632.A N ARG 629.A O no hydrogen 3.100 N/A GLU 633.A N ARG 629.A O no hydrogen 2.926 N/A TYR 634.A N LEU 630.A O no hydrogen 2.972 N/A ILE 636.A N GLU 632.A O no hydrogen 2.918 N/A LYS 637.A N GLU 633.A O no hydrogen 2.984 N/A ARG 638.A N TYR 634.A O no hydrogen 3.371 N/A ARG 638.A NE TYR 634.A OH no hydrogen 3.117 N/A ARG 638.A NH2 ASP 683.A OD1 no hydrogen 2.912 N/A LEU 639.A N LEU 635.A O no hydrogen 2.985 N/A SER 640.A N LYS 637.A O no hydrogen 3.094 N/A SER 640.A OG ILE 636.A O no hydrogen 3.180 N/A SER 640.A OG LYS 637.A O no hydrogen 2.566 N/A HIS 641.A N ARG 638.A O no hydrogen 3.011 N/A GLU 645.A N VAL 643.A O no hydrogen 2.488 N/A SER 647.A N GLU 650.A OE2 no hydrogen 2.624 N/A SER 647.A OG GLU 650.A OE2 no hydrogen 2.801 N/A ARG 648.A NH2 GLN 516.A OE1 no hydrogen 3.182 N/A ARG 648.A NH2 GLU 633.A OE1 no hydrogen 2.545 N/A GLU 650.A N SER 647.A OG no hydrogen 3.207 N/A LYS 651.A N SER 647.A O no hydrogen 3.178 N/A LYS 651.A NZ ALA 646.A O no hydrogen 3.056 N/A ILE 652.A N ARG 648.A O no hydrogen 2.731 N/A ALA 653.A N LEU 649.A O no hydrogen 2.809 N/A ALA 653.A N GLU 650.A O no hydrogen 2.628 N/A ARG 654.A N GLU 650.A O no hydrogen 2.705 N/A ILE 655.A N LYS 651.A O no hydrogen 2.938 N/A ARG 656.A N ILE 652.A O no hydrogen 3.214 N/A ARG 656.A NE GLU 632.A OE2 no hydrogen 2.881 N/A ARG 656.A NH2 GLU 632.A OE1 no hydrogen 2.906 N/A SER 657.A N ALA 653.A O no hydrogen 3.053 N/A SER 657.A N ARG 654.A O no hydrogen 3.327 N/A SER 657.A OG ALA 653.A O no hydrogen 2.953 N/A SER 657.A OG ARG 654.A O no hydrogen 2.378 N/A TRP 658.A N ILE 655.A O no hydrogen 2.738 N/A TYR 659.A OH GLU 632.A OE2 no hydrogen 2.989 N/A VAL 663.A N PRO 660.A O no hydrogen 2.664 N/A ASP 664.A N GLN 670.A OE1 no hydrogen 2.570 N/A ASP 667.A N ASP 664.A O no hydrogen 2.880 N/A GLN 670.A N ASP 667.A O no hydrogen 3.182 N/A VAL 671.A N ASP 667.A O no hydrogen 3.060 N/A ALA 672.A N ASP 668.A O no hydrogen 3.004 N/A THR 673.A N ARG 669.A O no hydrogen 3.423 N/A THR 673.A OG1 ARG 669.A O no hydrogen 2.792 N/A TRP 674.A N GLN 670.A O no hydrogen 3.347 N/A ILE 675.A N VAL 671.A O no hydrogen 2.848 N/A GLU 676.A N ALA 672.A O no hydrogen 2.906 N/A GLU 677.A N THR 673.A O no hydrogen 2.907 N/A ASN 678.A N ILE 675.A O no hydrogen 3.175 N/A ASN 678.A ND2 TRP 674.A O no hydrogen 2.577 N/A TYR 679.A N GLU 676.A O no hydrogen 3.430 N/A LEU 682.A N ASN 678.A O no hydrogen 2.642 N/A ASP 683.A N TYR 679.A O no hydrogen 2.519 N/A ASP 684.A N LYS 680.A O no hydrogen 3.098 N/A LYS 685.A N THR 681.A O no hydrogen 3.052 N/A LEU 686.A N LEU 682.A O no hydrogen 3.052 N/A LEU 686.A N ASP 683.A O no hydrogen 3.187 N/A LYS 687.A N ASP 683.A O no hydrogen 3.022 N/A GLY 688.A N ASP 684.A O no hydrogen 2.857 N/A LEU 689.A N LYS 685.A O no hydrogen 3.083 N/A LYS 690.A N LEU 686.A O no hydrogen 2.970 N/A LEU 691.A N LYS 687.A O no hydrogen 3.003 N/A GLU 692.A N GLY 688.A O no hydrogen 3.222 N/A PHE 694.A N LYS 690.A O no hydrogen 2.936 N/A GLN 696.A N SER 693.A O no hydrogen 2.616 N/A GLN 696.A NE2 GLN 696.A O no hydrogen 2.994 N/A ASP 697.A N SER 693.A O no hydrogen 3.127 N/A ALA 699.A N ALA 695.A O no hydrogen 3.124 N/A LYS 700.A N GLN 696.A O no hydrogen 2.956 N/A