Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8cli_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N THR 453.A OG1 no hydrogen 3.101 N/A THR 3.A OG1 THR 453.A OG1 no hydrogen 2.971 N/A ARG 4.A NH1 GLU 6.A O no hydrogen 3.251 N/A ARG 4.A NH2 GLN 450.A OE1 no hydrogen 3.248 N/A ARG 5.A N PHE 451.A O no hydrogen 2.895 N/A ARG 5.A NE TYR 427.A OH no hydrogen 3.100 N/A ARG 5.A NH1 GLU 6.A OE1 no hydrogen 2.383 N/A ARG 5.A NH1 GLN 51.A O no hydrogen 3.149 N/A ARG 5.A NH2 GLN 51.A O no hydrogen 3.246 N/A ARG 5.A NH2 ASP 480.A OD2 no hydrogen 3.153 N/A GLU 6.A N GLU 6.A OE1 no hydrogen 2.582 N/A VAL 9.A N VAL 449.A O no hydrogen 2.922 N/A LEU 11.A N TYR 447.A O no hydrogen 3.435 N/A SER 16.A N SER 32.A O no hydrogen 2.953 N/A SER 16.A OG PHE 115.A O no hydrogen 3.068 N/A LEU 18.A N LYS 116.A O no hydrogen 2.801 N/A ALA 22.A N SER 30.A O no hydrogen 3.288 N/A SER 24.A N ARG 28.A O no hydrogen 3.165 N/A SER 24.A OG ARG 28.A O no hydrogen 2.798 N/A HIS 27.A N SER 24.A O no hydrogen 3.056 N/A HIS 27.A NE2 PHE 473.A O no hydrogen 2.646 N/A ARG 28.A N SER 24.A OG no hydrogen 3.052 N/A ARG 28.A NE ASP 26.A OD2 no hydrogen 2.610 N/A ARG 28.A NH2 CYS 131.A O no hydrogen 2.937 N/A VAL 29.A N LEU 40.A O no hydrogen 2.624 N/A SER 30.A N ALA 22.A O no hydrogen 3.186 N/A VAL 31.A N ALA 38.A O no hydrogen 2.902 N/A SER 32.A N PRO 20.A O no hydrogen 3.183 N/A SER 32.A OG SER 16.A O no hydrogen 2.836 N/A SER 32.A OG PRO 20.A O no hydrogen 3.538 N/A THR 33.A N SER 36.A O no hydrogen 3.066 N/A THR 33.A OG1 ALA 14.A O no hydrogen 2.450 N/A ALA 34.A N ALA 14.A O no hydrogen 2.880 N/A SER 36.A N THR 33.A O no hydrogen 3.379 N/A ILE 37.A N VAL 60.A O no hydrogen 2.823 N/A ALA 38.A N VAL 31.A O no hydrogen 3.131 N/A VAL 39.A N THR 58.A O no hydrogen 2.725 N/A LEU 40.A N VAL 29.A O no hydrogen 2.540 N/A GLU 41.A N HIS 56.A O no hydrogen 2.674 N/A LEU 42.A N HIS 27.A O no hydrogen 3.035 N/A ILE 43.A N VAL 54.A O no hydrogen 3.000 N/A HIS 47.A N ASP 45.A OD1 no hydrogen 2.898 N/A ASN 48.A ND2 ASP 45.A OD2 no hydrogen 2.650 N/A GLN 51.A NE2 LEU 487.A O no hydrogen 3.528 N/A HIS 56.A N GLU 41.A O no hydrogen 2.807 N/A ARG 57.A NH1 LYS 10.A O no hydrogen 2.933 N/A ARG 57.A NH2 LYS 10.A O no hydrogen 2.846 N/A THR 58.A N VAL 39.A O no hydrogen 3.007 N/A VAL 60.A N ILE 37.A O no hydrogen 2.807 N/A ALA 62.A N ARG 35.A O no hydrogen 3.155 N/A SER 66.A OG GLU 105.A OE1 no hydrogen 2.731 N/A CYS 67.A N ASP 139.A OD2 no hydrogen 2.686 N/A LYS 70.A NZ GLU 165.A OE1 no hydrogen 2.945 N/A SER 73.A OG THR 75.A OG1 no hydrogen 3.317 N/A THR 75.A OG1 SER 73.A OG no hydrogen 3.317 N/A GLU 76.A N SER 73.A OG no hydrogen 3.021 N/A VAL 77.A N SER 73.A O no hydrogen 2.895 N/A GLU 79.A N THR 75.A O no hydrogen 3.164 N/A CYS 80.A N GLU 76.A O no hydrogen 3.097 N/A CYS 80.A SG GLU 76.A O no hydrogen 3.058 N/A LYS 81.A N VAL 77.A O no hydrogen 2.921 N/A LYS 81.A NZ PHE 102.A O no hydrogen 3.341 N/A GLU 82.A N ALA 78.A O no hydrogen 3.143 N/A LYS 83.A N GLU 79.A O no hydrogen 2.943 N/A LYS 83.A NZ GLY 185.A O no hydrogen 2.955 N/A PHE 84.A N CYS 80.A O no hydrogen 2.973 N/A ALA 85.A N LYS 81.A O no hydrogen 3.082 N/A ALA 86.A N GLU 82.A O no hydrogen 2.954 N/A SER 87.A N PHE 84.A O no hydrogen 3.047 N/A THR 91.A N ASP 89.A OD1 no hydrogen 3.033 N/A VAL 92.A N ASP 89.A OD2 no hydrogen 3.060 N/A SER 93.A N ASP 89.A O no hydrogen 3.127 N/A SER 93.A OG ASP 89.A O no hydrogen 2.670 N/A SER 93.A OG PRO 90.A O no hydrogen 3.200 N/A GLN 94.A N PRO 90.A O no hydrogen 2.946 N/A THR 95.A N THR 91.A O no hydrogen 2.858 N/A THR 95.A OG1 THR 91.A O no hydrogen 2.454 N/A PHE 96.A N VAL 92.A O no hydrogen 3.105 N/A MET 97.A N SER 93.A O no hydrogen 2.983 N/A LEU 98.A N GLN 94.A O no hydrogen 2.931 N/A ASP 99.A N THR 95.A O no hydrogen 3.336 N/A ARG 100.A NE ASN 103.A O no hydrogen 2.816 N/A ARG 100.A NH1 PRO 110.A O no hydrogen 3.206 N/A ARG 100.A NH2 ASN 103.A O no hydrogen 3.399 N/A ARG 100.A NH2 PRO 104.A O no hydrogen 3.437 N/A ARG 100.A NH2 PRO 110.A O no hydrogen 2.977 N/A VAL 101.A N ASP 99.A OD1 no hydrogen 2.862 N/A ASN 103.A N ARG 100.A O no hydrogen 3.183 N/A ARG 113.A NH1 SER 66.A OG no hydrogen 3.347 N/A LYS 116.A N LEU 136.A O no hydrogen 2.641 N/A LYS 116.A NZ ASN 140.A OD1 no hydrogen 3.093 N/A LYS 116.A NZ PRO 199.A O no hydrogen 3.194 N/A TYR 117.A N LEU 136.A O no hydrogen 3.187 N/A TYR 117.A OH GLU 203.A OE2 no hydrogen 2.844 N/A SER 119.A N ALA 134.A O no hydrogen 2.889 N/A SER 119.A OG GLU 203.A OE1 no hydrogen 3.088 N/A TRP 120.A NE1 SER 30.A OG no hydrogen 2.710 N/A SER 121.A N LEU 132.A O no hydrogen 2.897 N/A SER 121.A OG PRO 122.A O no hydrogen 2.724 N/A SER 121.A OG LEU 132.A O no hydrogen 3.357 N/A GLY 124.A N GLY 129.A O no hydrogen 3.075 N/A CYS 125.A SG SER 121.A OG no hydrogen 3.373 N/A CYS 125.A SG PRO 122.A O no hydrogen 3.144 N/A ASP 126.A N ARG 130.A O no hydrogen 2.818 N/A ALA 127.A N ASP 126.A OD1 no hydrogen 2.490 N/A ASN 128.A ND2 LEU 148.A O no hydrogen 3.127 N/A ARG 130.A NH1 GLU 41.A OE2 no hydrogen 3.038 N/A ARG 130.A NH2 ASP 26.A OD1 no hydrogen 3.458 N/A ARG 130.A NH2 GLU 41.A OE2 no hydrogen 2.374 N/A LEU 132.A N SER 121.A OG no hydrogen 2.652 N/A LEU 133.A N GLN 145.A O no hydrogen 3.003 N/A ALA 134.A N SER 119.A O no hydrogen 2.847 N/A ALA 135.A N THR 143.A O no hydrogen 2.885 N/A LEU 136.A N TYR 117.A O no hydrogen 2.831 N/A THR 137.A N ARG 141.A O no hydrogen 3.049 N/A THR 137.A OG1 ASP 139.A OD1 no hydrogen 2.291 N/A THR 137.A OG1 ARG 141.A O no hydrogen 3.247 N/A MET 138.A N GLY 114.A O no hydrogen 2.822 N/A ASN 140.A N THR 137.A O no hydrogen 3.075 N/A ARG 141.A N THR 137.A OG1 no hydrogen 2.880 N/A ARG 141.A NH1 ASP 158.A OD2 no hydrogen 3.085 N/A ARG 141.A NH2 ASN 65.A O no hydrogen 2.840 N/A LEU 142.A N THR 160.A OG1 no hydrogen 3.005 N/A THR 143.A N ALA 135.A O no hydrogen 2.946 N/A THR 143.A OG1 ALA 135.A O no hydrogen 3.265 N/A ILE 144.A N VAL 157.A O no hydrogen 3.057 N/A GLN 145.A N LEU 133.A O no hydrogen 2.706 N/A GLN 145.A NE2 THR 143.A OG1 no hydrogen 2.968 N/A ALA 146.A N VAL 154.A O no hydrogen 3.124 N/A ASN 147.A ND2 ARG 150.A O no hydrogen 2.826 N/A ARG 150.A NH2 ARG 654.A O no hydrogen 2.696 N/A ARG 150.A NH2 CYS 655.A O no hydrogen 2.883 N/A LEU 151.A N ASN 149.A OD1 no hydrogen 2.707 N/A GLN 152.A N ASN 149.A OD1 no hydrogen 2.887 N/A VAL 154.A N ALA 146.A O no hydrogen 2.965 N/A LEU 156.A N ILE 144.A O no hydrogen 2.830 N/A LEU 159.A N LEU 142.A O no hydrogen 2.905 N/A THR 160.A OG1 ASN 140.A O no hydrogen 2.868 N/A GLU 161.A N ASP 158.A OD1 no hydrogen 2.907 N/A TYR 163.A N LEU 159.A O no hydrogen 2.913 N/A TYR 163.A OH THR 244.A OG1 no hydrogen 2.617 N/A GLY 164.A N THR 160.A O no hydrogen 2.879 N/A GLU 165.A N GLU 161.A O no hydrogen 3.252 N/A ARG 166.A N ILE 162.A O no hydrogen 2.984 N/A LEU 167.A N TYR 163.A O no hydrogen 2.905 N/A TYR 168.A N GLY 164.A O no hydrogen 2.969 N/A GLU 169.A N GLU 165.A O no hydrogen 2.834 N/A THR 170.A N ARG 166.A O no hydrogen 3.141 N/A THR 170.A OG1 ARG 173.A O no hydrogen 2.621 N/A SER 171.A N TYR 168.A O no hydrogen 2.923 N/A TYR 172.A N LEU 167.A O no hydrogen 2.649 N/A TYR 172.A OH LYS 70.A O no hydrogen 2.684 N/A ARG 173.A N THR 170.A O no hydrogen 2.925 N/A ARG 173.A NH1 ALA 179.A O no hydrogen 2.966 N/A GLU 178.A N SER 175.A O no hydrogen 2.986 N/A GLY 185.A N ASN 183.A OD1 no hydrogen 2.885 N/A ASP 186.A N ASN 183.A O no hydrogen 3.053 N/A PHE 190.A N ASP 186.A O no hydrogen 2.723 N/A GLN 191.A N PHE 187.A O no hydrogen 2.809 N/A ARG 192.A N ALA 188.A O no hydrogen 2.911 N/A ARG 192.A NH1 GLU 189.A OE1 no hydrogen 2.935 N/A ARG 192.A NH2 TYR 172.A O no hydrogen 2.848 N/A ARG 193.A N GLU 189.A O no hydrogen 2.891 N/A ARG 193.A NE GLU 189.A OE2 no hydrogen 2.758 N/A ARG 193.A NH1 VAL 71.A O no hydrogen 3.116 N/A ARG 193.A NH2 GLU 189.A OE2 no hydrogen 3.307 N/A HIS 194.A N PHE 190.A O no hydrogen 3.248 N/A SER 195.A N GLN 191.A O no hydrogen 2.697 N/A MET 196.A N ARG 192.A O no hydrogen 2.688 N/A GLN 197.A N HIS 194.A O no hydrogen 3.117 N/A GLN 197.A NE2 LYS 70.A O no hydrogen 2.683 N/A GLN 197.A NE2 ARG 193.A O no hydrogen 2.926 N/A THR 198.A N SER 195.A O no hydrogen 3.383 N/A THR 198.A OG1 HIS 194.A O no hydrogen 2.898 N/A VAL 200.A N LEU 218.A O no hydrogen 2.527 N/A ARG 201.A NH1 HIS 311.A O no hydrogen 2.643 N/A ARG 201.A NH2 GLU 19.A OE1 no hydrogen 2.856 N/A GLU 203.A N ALA 216.A O no hydrogen 3.154 N/A SER 205.A N LEU 214.A O no hydrogen 2.880 N/A SER 205.A OG GLY 206.A O no hydrogen 2.748 N/A SER 205.A OG LEU 214.A O no hydrogen 3.366 N/A GLY 206.A N GLU 259.A OE2 no hydrogen 2.618 N/A CYS 208.A N SER 212.A O no hydrogen 2.565 N/A SER 212.A N CYS 208.A O no hydrogen 3.018 N/A SER 212.A OG PHE 229.A O no hydrogen 2.923 N/A VAL 213.A N PHE 229.A O no hydrogen 3.017 N/A LEU 214.A N SER 205.A OG no hydrogen 2.665 N/A LEU 215.A N TRP 227.A O no hydrogen 2.953 N/A ALA 216.A N GLU 203.A O no hydrogen 2.995 N/A VAL 217.A N ALA 225.A O no hydrogen 2.849 N/A LEU 218.A N ARG 201.A O no hydrogen 2.776 N/A PHE 219.A N ASN 223.A O no hydrogen 2.958 N/A GLU 220.A N THR 198.A O no hydrogen 3.050 N/A GLY 222.A N PHE 219.A O no hydrogen 2.960 N/A ASN 223.A N ASN 221.A OD1 no hydrogen 2.934 N/A ILE 224.A N ILE 245.A O no hydrogen 2.845 N/A ALA 225.A N VAL 217.A O no hydrogen 2.981 N/A VAL 226.A N ASN 243.A O no hydrogen 2.689 N/A TRP 227.A N LEU 215.A O no hydrogen 2.701 N/A GLN 228.A N SER 241.A O no hydrogen 2.931 N/A GLN 228.A NE2 SER 240.A OG no hydrogen 3.062 N/A PHE 229.A N VAL 213.A O no hydrogen 2.803 N/A GLN 230.A N SER 238.A O no hydrogen 2.692 N/A LEU 231.A N GLY 211.A O no hydrogen 3.113 N/A PHE 233.A N CYS 125.A O no hydrogen 2.965 N/A VAL 234.A N SER 238.A OG no hydrogen 3.229 N/A SER 238.A N GLY 235.A O no hydrogen 2.921 N/A SER 238.A OG PRO 232.A O no hydrogen 3.546 N/A ILE 239.A N LYS 236.A O no hydrogen 3.144 N/A SER 240.A N GLN 228.A O no hydrogen 2.720 N/A SER 241.A OG ASN 243.A OD1 no hydrogen 2.825 N/A ASN 243.A N VAL 226.A O no hydrogen 3.126 N/A THR 244.A OG1 TYR 163.A OH no hydrogen 2.617 N/A ILE 245.A N ILE 224.A O no hydrogen 2.790 N/A SER 247.A N GLY 222.A O no hydrogen 2.947 N/A SER 253.A N GLY 273.A O no hydrogen 2.722 N/A SER 253.A OG VAL 310.A O no hydrogen 2.779 N/A VAL 254.A N GLY 273.A O no hydrogen 3.226 N/A PHE 256.A N ILE 271.A O no hydrogen 3.026 N/A TRP 257.A NE1 GLU 203.A O no hydrogen 2.949 N/A TRP 258.A N GLY 269.A O no hydrogen 2.779 N/A TRP 258.A NE1 SER 328.A OG no hydrogen 3.171 N/A TYR 260.A N MET 267.A O no hydrogen 2.969 N/A TYR 260.A OH SER 326.A O no hydrogen 2.170 N/A HIS 262.A N ARG 265.A O no hydrogen 3.022 N/A ASN 263.A ND2 HIS 262.A ND1 no hydrogen 3.048 N/A ARG 265.A N HIS 262.A O no hydrogen 2.584 N/A LYS 266.A NZ GLU 261.A OE2 no hydrogen 2.418 N/A MET 267.A N TYR 260.A O no hydrogen 2.951 N/A SER 268.A OG TRP 258.A O no hydrogen 2.650 N/A GLY 269.A N TRP 258.A O no hydrogen 2.844 N/A LEU 270.A N LEU 282.A O no hydrogen 2.856 N/A ILE 271.A N PHE 256.A O no hydrogen 2.983 N/A VAL 272.A N LYS 280.A O no hydrogen 2.671 N/A GLY 273.A N VAL 254.A O no hydrogen 3.049 N/A SER 274.A N PRO 278.A O no hydrogen 2.855 N/A SER 274.A OG THR 250.A O no hydrogen 2.953 N/A SER 274.A OG SER 251.A O no hydrogen 3.487 N/A ALA 275.A N SER 251.A O no hydrogen 2.858 N/A PHE 276.A N SER 274.A OG no hydrogen 2.949 N/A GLY 277.A N SER 274.A O no hydrogen 3.085 N/A ILE 279.A N TRP 302.A O no hydrogen 2.778 N/A LYS 280.A N VAL 272.A O no hydrogen 2.894 N/A LYS 280.A NZ SER 247.A O no hydrogen 3.466 N/A ILE 281.A N VAL 299.A O no hydrogen 2.983 N/A LEU 282.A N LEU 270.A O no hydrogen 2.426 N/A TYR 292.A OH GLU 259.A OE1 no hydrogen 2.982 N/A THR 294.A OG1 SER 268.A O no hydrogen 3.360 N/A THR 294.A OG1 VAL 284.A O no hydrogen 2.692 N/A LEU 295.A N SER 268.A O no hydrogen 2.973 N/A VAL 299.A N ILE 281.A O no hydrogen 3.434 N/A LEU 301.A N ILE 279.A O no hydrogen 2.838 N/A TRP 302.A N ILE 279.A O no hydrogen 3.078 N/A TRP 302.A NE1 ASP 306.A OD2 no hydrogen 2.909 N/A GLN 307.A N PHE 276.A O no hydrogen 2.774 N/A LEU 308.A N ASP 306.A OD1 no hydrogen 2.871 N/A VAL 310.A N SER 274.A O no hydrogen 3.391 N/A HIS 311.A N ALA 333.A O no hydrogen 2.781 N/A SER 312.A OG GLU 19.A OE1 no hydrogen 2.717 N/A SER 312.A OG GLU 19.A OE2 no hydrogen 3.259 N/A LYS 314.A N VAL 331.A O no hydrogen 2.863 N/A LYS 314.A NZ GLU 19.A OE2 no hydrogen 3.095 N/A LYS 314.A NZ SER 312.A OG no hydrogen 3.080 N/A LYS 314.A NZ ILE 313.A O no hydrogen 3.181 N/A CYS 315.A SG TRP 257.A O no hydrogen 3.717 N/A VAL 316.A N LEU 329.A O no hydrogen 3.022 N/A LEU 318.A N CYS 327.A O no hydrogen 2.856 N/A HIS 320.A N CYS 325.A O no hydrogen 2.912 N/A HIS 320.A NE2 ALA 397.A O no hydrogen 3.170 N/A TYR 322.A N HIS 320.A ND1 no hydrogen 3.048 N/A GLN 323.A N HIS 320.A ND1 no hydrogen 2.941 N/A GLN 323.A NE2 ASP 395.A O no hydrogen 3.088 N/A CYS 325.A SG GLN 323.A O no hydrogen 3.281 N/A SER 326.A OG LEU 318.A O no hydrogen 3.071 N/A CYS 327.A N LEU 318.A O no hydrogen 2.940 N/A SER 328.A N LEU 343.A O no hydrogen 2.818 N/A LEU 329.A N VAL 316.A O no hydrogen 3.119 N/A VAL 330.A N CYS 341.A O no hydrogen 2.619 N/A VAL 331.A N LYS 314.A O no hydrogen 2.851 N/A ALA 332.A N PHE 339.A O no hydrogen 2.678 N/A ALA 333.A N SER 312.A O no hydrogen 2.933 N/A ARG 334.A N TYR 337.A O no hydrogen 2.913 N/A ARG 334.A NE HIS 356.A NE2 no hydrogen 2.920 N/A ARG 334.A NH1 GLY 277.A O no hydrogen 3.028 N/A ARG 334.A NH1 ASP 306.A OD1 no hydrogen 2.852 N/A ARG 334.A NH2 ASP 306.A OD1 no hydrogen 3.438 N/A ARG 334.A NH2 ASP 306.A OD2 no hydrogen 2.440 N/A ARG 334.A NH2 HIS 356.A NE2 no hydrogen 3.172 N/A GLY 335.A N PRO 309.A O no hydrogen 3.351 N/A TYR 337.A N ARG 334.A O no hydrogen 2.957 N/A PHE 339.A N ALA 332.A O no hydrogen 2.703 N/A TRP 340.A N SER 355.A O no hydrogen 2.925 N/A CYS 341.A N VAL 330.A O no hydrogen 2.736 N/A CYS 341.A SG HIS 353.A O no hydrogen 3.516 N/A LEU 342.A N HIS 353.A O no hydrogen 2.903 N/A LEU 343.A N SER 328.A O no hydrogen 2.652 N/A LEU 344.A N ASN 351.A O no hydrogen 3.079 N/A SER 346.A N GLY 349.A O no hydrogen 2.679 N/A LYS 347.A N SER 346.A OG no hydrogen 2.704 N/A GLY 349.A N SER 346.A O no hydrogen 2.754 N/A ASN 351.A N LEU 344.A O no hydrogen 2.702 N/A HIS 353.A N LEU 342.A O no hydrogen 3.352 N/A ASN 354.A ND2 LEU 301.A O no hydrogen 2.966 N/A SER 355.A N TRP 340.A O no hydrogen 3.032 N/A VAL 357.A N VAL 338.A O no hydrogen 3.005 N/A THR 358.A OG1 HIS 356.A O no hydrogen 2.967 N/A HIS 361.A NE2 THR 379.A OG1 no hydrogen 2.764 N/A ILE 365.A N GLY 335.A O no hydrogen 2.714 N/A VAL 366.A N CYS 380.A O no hydrogen 2.739 N/A THR 369.A N TYR 378.A O no hydrogen 3.105 N/A ASP 371.A N THR 376.A O no hydrogen 2.771 N/A GLN 373.A N GLN 373.A OE1 no hydrogen 2.687 N/A GLN 373.A NE2 PRO 423.A O no hydrogen 2.557 N/A ASN 374.A N ASP 371.A O no hydrogen 2.885 N/A ASN 374.A ND2 THR 376.A OG1 no hydrogen 2.630 N/A GLY 375.A N ASP 371.A O no hydrogen 2.600 N/A VAL 377.A N LEU 389.A O no hydrogen 2.879 N/A TYR 378.A N THR 369.A O no hydrogen 2.956 N/A THR 379.A N ARG 387.A O no hydrogen 3.272 N/A THR 379.A OG1 HIS 361.A NE2 no hydrogen 2.764 N/A CYS 380.A SG SER 381.A O no hydrogen 3.820 N/A CYS 380.A SG THR 416.A O no hydrogen 3.651 N/A CYS 380.A SG THR 416.A OG1 no hydrogen 2.992 N/A SER 381.A N LYS 385.A O no hydrogen 3.353 N/A SER 381.A OG ASP 383.A OD1 no hydrogen 2.343 N/A GLY 384.A N SER 381.A O no hydrogen 2.827 N/A LYS 385.A N ASP 383.A OD1 no hydrogen 3.392 N/A ARG 387.A N THR 379.A O no hydrogen 3.000 N/A ARG 387.A NE LEU 360.A O no hydrogen 2.891 N/A ARG 387.A NH1 HIS 402.A ND1 no hydrogen 3.064 N/A GLN 388.A N GLN 403.A O no hydrogen 2.736 N/A GLN 388.A NE2 TYR 378.A OH no hydrogen 3.249 N/A LEU 389.A N VAL 377.A O no hydrogen 2.941 N/A ILE 390.A N GLU 401.A O no hydrogen 2.647 N/A ILE 392.A N LYS 399.A O no hydrogen 2.707 N/A THR 394.A N ALA 397.A O no hydrogen 2.892 N/A LYS 399.A N ILE 392.A O no hydrogen 2.793 N/A GLU 401.A N ILE 390.A O no hydrogen 3.021 N/A GLN 403.A N GLN 388.A O no hydrogen 2.735 N/A ILE 405.A N VAL 386.A O no hydrogen 2.873 N/A LEU 407.A N ILE 405.A O no hydrogen 2.965 N/A ASP 409.A N LYS 406.A O no hydrogen 3.020 N/A VAL 410.A N LEU 407.A O no hydrogen 3.150 N/A PHE 411.A N LEU 407.A O no hydrogen 2.768 N/A GLY 412.A N SER 408.A O no hydrogen 2.932 N/A SER 413.A OG MET 436.A O no hydrogen 2.612 N/A ARG 415.A N THR 433.A O no hydrogen 2.764 N/A ARG 415.A NH1 SER 382.A O no hydrogen 2.762 N/A THR 416.A OG1 SER 381.A O no hydrogen 2.867 N/A HIS 417.A N ILE 431.A O no hydrogen 2.841 N/A ALA 420.A N ALA 429.A O no hydrogen 2.840 N/A SER 422.A N TYR 427.A O no hydrogen 2.950 N/A SER 422.A OG ASP 477.A OD2 no hydrogen 2.530 N/A CYS 424.A N ASP 477.A OD2 no hydrogen 2.957 N/A CYS 424.A SG LYS 474.A O no hydrogen 3.310 N/A CYS 424.A SG ASP 477.A OD1 no hydrogen 3.213 N/A GLY 425.A N SER 422.A O no hydrogen 2.657 N/A ALA 426.A N SER 422.A OG no hydrogen 2.632 N/A TYR 427.A N SER 422.A OG no hydrogen 3.021 N/A TYR 427.A OH ASP 480.A OD2 no hydrogen 2.457 N/A LEU 428.A N VAL 452.A O no hydrogen 3.027 N/A ALA 429.A N ALA 420.A O no hydrogen 2.816 N/A ILE 430.A N GLN 450.A O no hydrogen 2.661 N/A ILE 431.A N GLY 418.A O no hydrogen 2.981 N/A THR 432.A N GLN 448.A O no hydrogen 2.881 N/A THR 433.A N ARG 415.A O no hydrogen 2.679 N/A THR 433.A OG1 HIS 417.A ND1 no hydrogen 3.003 N/A ILE 437.A N LEU 440.A O no hydrogen 2.846 N/A LEU 440.A N ILE 437.A O no hydrogen 2.848 N/A LYS 445.A NZ TYR 447.A OH no hydrogen 3.256 N/A GLN 448.A N THR 432.A O no hydrogen 2.983 N/A VAL 449.A N VAL 9.A O no hydrogen 2.956 N/A GLN 450.A N ILE 430.A O no hydrogen 2.699 N/A GLN 450.A NE2 THR 432.A OG1 no hydrogen 2.748 N/A VAL 452.A N LEU 428.A O no hydrogen 2.929 N/A THR 453.A N THR 3.A O no hydrogen 2.708 N/A THR 453.A OG1 MET 1.A O no hydrogen 2.903 N/A THR 453.A OG1 THR 3.A O no hydrogen 3.060 N/A THR 453.A OG1 THR 3.A OG1 no hydrogen 2.971 N/A LEU 454.A N ALA 426.A O no hydrogen 2.858 N/A LYS 455.A NZ GLN 463.A OE1 no hydrogen 2.341 N/A GLU 458.A N GLU 458.A OE1 no hydrogen 2.594 N/A GLU 459.A N THR 456.A OG1 no hydrogen 3.354 N/A ALA 460.A N THR 456.A O no hydrogen 3.015 N/A ALA 461.A N PHE 457.A O no hydrogen 2.726 N/A ALA 462.A N GLU 458.A O no hydrogen 2.966 N/A GLN 463.A N GLU 459.A O no hydrogen 2.895 N/A LEU 464.A N ALA 460.A O no hydrogen 2.989 N/A LEU 465.A N ALA 461.A O no hydrogen 3.049 N/A GLU 466.A N ALA 462.A O no hydrogen 2.915 N/A SER 467.A N LEU 464.A O no hydrogen 3.281 N/A SER 467.A OG GLN 475.A OE1 no hydrogen 2.730 N/A GLN 470.A N SER 467.A OG no hydrogen 3.114 N/A ASN 471.A ND2 ASP 685.A OD2 no hydrogen 3.468 N/A LEU 472.A N ASP 685.A OD2 no hydrogen 3.487 N/A GLN 475.A N LEU 472.A O no hydrogen 2.785 N/A LEU 478.A N GLN 475.A O no hydrogen 2.869 N/A ILE 479.A N GLN 475.A O no hydrogen 3.018 N/A ASP 480.A N VAL 476.A O no hydrogen 2.864 N/A VAL 482.A N LEU 478.A O no hydrogen 3.110 N/A ARG 483.A N ILE 479.A O no hydrogen 2.727 N/A ARG 483.A NE ASP 45.A O no hydrogen 3.036 N/A ARG 483.A NH1 ASP 52.A O no hydrogen 3.312 N/A ARG 483.A NH2 GLY 50.A O no hydrogen 2.645 N/A TRP 484.A N ASP 480.A O no hydrogen 2.829 N/A TRP 484.A NE1 GLU 6.A OE2 no hydrogen 2.880 N/A LYS 485.A N LEU 481.A O no hydrogen 3.273 N/A LYS 485.A NZ ASP 489.A OD2 no hydrogen 2.510 N/A ILE 486.A N VAL 482.A O no hydrogen 3.076 N/A LEU 487.A N ARG 483.A O no hydrogen 2.958 N/A LYS 488.A N TRP 484.A O no hydrogen 2.964 N/A ASP 489.A N LYS 485.A O no hydrogen 2.895 N/A LYS 490.A N ILE 486.A O no hydrogen 2.726 N/A HIS 491.A ND1 ASP 489.A O no hydrogen 2.905 N/A GLN 494.A NE2 GLU 498.A OE2 no hydrogen 2.922 N/A GLN 497.A N PRO 493.A O no hydrogen 3.206 N/A GLU 498.A N GLN 494.A O no hydrogen 2.776 N/A ALA 499.A N PHE 495.A O no hydrogen 2.963 N/A LEU 500.A N LEU 496.A O no hydrogen 2.882 N/A GLU 501.A N GLN 497.A O no hydrogen 2.888 N/A LYS 502.A N GLU 498.A O no hydrogen 2.987 N/A LYS 503.A N ALA 499.A O no hydrogen 2.971 N/A LYS 503.A NZ GLU 466.A OE1 no hydrogen 3.248 N/A ILE 504.A N LEU 500.A O no hydrogen 2.852 N/A GLU 505.A N GLU 501.A O no hydrogen 2.809 N/A SER 506.A N LYS 502.A O no hydrogen 2.845 N/A SER 506.A OG LYS 502.A O no hydrogen 2.685 N/A SER 506.A OG LYS 503.A O no hydrogen 3.477 N/A SER 507.A N LYS 503.A O no hydrogen 2.678 N/A GLY 508.A N LYS 503.A O no hydrogen 3.100 N/A TYR 511.A OH LEU 464.A O no hydrogen 2.632 N/A TYR 511.A OH GLN 475.A OE1 no hydrogen 3.280 N/A PHE 512.A N VAL 509.A O no hydrogen 2.866 N/A ARG 514.A N THR 510.A O no hydrogen 2.830 N/A ARG 514.A NH1 PRO 682.A O no hydrogen 3.001 N/A PHE 515.A N TYR 511.A O no hydrogen 2.832 N/A LYS 516.A N PHE 512.A O no hydrogen 2.881 N/A LYS 516.A NZ GLU 501.A OE1 no hydrogen 2.960 N/A LEU 517.A N TRP 513.A O no hydrogen 2.978 N/A PHE 518.A N ARG 514.A O no hydrogen 3.033 N/A LEU 519.A N PHE 515.A O no hydrogen 3.097 N/A LEU 520.A N LYS 516.A O no hydrogen 2.999 N/A ARG 521.A N LEU 517.A O no hydrogen 3.015 N/A ILE 522.A N PHE 518.A O no hydrogen 2.970 N/A LEU 523.A N LEU 519.A O no hydrogen 2.835 N/A TYR 524.A N LEU 520.A O no hydrogen 2.902 N/A TYR 524.A OH LYS 529.A O no hydrogen 3.002 N/A GLN 525.A N ARG 521.A O no hydrogen 3.163 N/A GLN 525.A NE2 VAL 46.A O no hydrogen 3.094 N/A SER 526.A N ILE 522.A O no hydrogen 2.887 N/A SER 526.A OG LEU 523.A O no hydrogen 2.545 N/A MET 527.A N LEU 523.A O no hydrogen 3.187 N/A GLU 534.A N GLU 530.A O no hydrogen 2.839 N/A LYS 535.A N PRO 531.A O no hydrogen 2.746 N/A LEU 536.A N MET 532.A O no hydrogen 2.724 N/A LEU 537.A N GLU 533.A O no hydrogen 2.874 N/A GLU 538.A N GLU 534.A O no hydrogen 2.854 N/A ILE 539.A N LYS 535.A O no hydrogen 2.929 N/A GLN 540.A N LEU 536.A O no hydrogen 2.868 N/A GLY 541.A N LEU 537.A O no hydrogen 2.940 N/A LYS 542.A N GLU 538.A O no hydrogen 2.995 N/A ILE 543.A N ILE 539.A O no hydrogen 2.828 N/A GLU 544.A N GLN 540.A O no hydrogen 2.933 N/A ALA 545.A N GLY 541.A O no hydrogen 2.935 N/A VAL 546.A N LYS 542.A O no hydrogen 3.008 N/A GLU 547.A N ILE 543.A O no hydrogen 2.722 N/A MET 548.A N GLU 544.A O no hydrogen 2.840 N/A HIS 549.A N ALA 545.A O no hydrogen 2.974 N/A LEU 550.A N VAL 546.A O no hydrogen 3.077 N/A THR 551.A N GLU 547.A O no hydrogen 3.201 N/A THR 551.A OG1 GLU 547.A O no hydrogen 2.873 N/A ARG 552.A N MET 548.A O no hydrogen 2.910 N/A GLU 553.A N HIS 549.A O no hydrogen 2.997 N/A HIS 554.A N LEU 550.A O no hydrogen 3.137 N/A HIS 554.A NE2 LEU 642.A O no hydrogen 3.038 N/A MET 555.A N THR 551.A O no hydrogen 2.848 N/A LYS 556.A N ARG 552.A O no hydrogen 2.896 N/A LYS 556.A NZ GLU 553.A OE1 no hydrogen 3.201 N/A LYS 556.A NZ GLU 553.A OE2 no hydrogen 3.169 N/A LYS 556.A NZ ASP 591.A OD2 no hydrogen 2.629 N/A ARG 557.A N GLU 553.A O no hydrogen 3.014 N/A VAL 558.A N HIS 554.A O no hydrogen 2.864 N/A LEU 559.A N MET 555.A O no hydrogen 2.935 N/A GLY 560.A N LYS 556.A O no hydrogen 2.660 N/A GLU 561.A N VAL 558.A O no hydrogen 2.899 N/A VAL 562.A N VAL 558.A O no hydrogen 2.936 N/A TYR 563.A N LEU 559.A O no hydrogen 3.085 N/A TYR 563.A OH HIS 600.A ND1 no hydrogen 3.242 N/A LEU 564.A N GLU 561.A O no hydrogen 2.926 N/A HIS 565.A N GLU 561.A O no hydrogen 3.233 N/A THR 569.A N TRP 567.A O no hydrogen 2.924 N/A ASN 571.A N ILE 568.A O no hydrogen 2.733 N/A ASN 571.A ND2 PHE 610.A O no hydrogen 3.229 N/A SER 573.A OG ASP 669.A OD1 no hydrogen 2.957 N/A THR 576.A N ASN 571.A OD1 no hydrogen 3.366 N/A THR 576.A N ILE 574.A O no hydrogen 2.801 N/A THR 576.A OG1 ASN 571.A OD1 no hydrogen 2.791 N/A THR 576.A OG1 ILE 574.A O no hydrogen 3.138 N/A ARG 577.A NH1 THR 609.A O no hydrogen 2.908 N/A ARG 577.A NH2 ASN 606.A O no hydrogen 2.932 N/A ARG 577.A NH2 GLN 608.A O no hydrogen 2.798 N/A LEU 579.A N PRO 575.A O no hydrogen 2.902 N/A CYS 580.A N THR 576.A O no hydrogen 2.880 N/A CYS 580.A SG THR 576.A O no hydrogen 3.173 N/A ASN 581.A N ARG 577.A O no hydrogen 2.851 N/A PHE 582.A N GLY 578.A O no hydrogen 2.833 N/A LEU 583.A N LEU 579.A O no hydrogen 2.854 N/A LEU 583.A N CYS 580.A O no hydrogen 3.120 N/A MET 584.A N ASN 581.A O no hydrogen 2.960 N/A SER 585.A OG ASP 586.A OD1 no hydrogen 2.628 N/A TYR 589.A N ASP 586.A O no hydrogen 3.151 N/A TYR 589.A OH PHE 582.A O no hydrogen 3.166 N/A ASP 590.A N GLU 588.A O no hydrogen 2.751 N/A THR 593.A N ASP 591.A OD1 no hydrogen 2.948 N/A THR 593.A OG1 ASP 591.A OD1 no hydrogen 2.507 N/A THR 593.A OG1 ASP 591.A OD2 no hydrogen 3.070 N/A ARG 595.A N ASP 591.A O no hydrogen 3.242 N/A ARG 595.A NH2 TYR 589.A O no hydrogen 2.895 N/A VAL 596.A N ARG 592.A O no hydrogen 2.800 N/A LEU 597.A N THR 593.A O no hydrogen 3.031 N/A ILE 598.A N ALA 594.A O no hydrogen 2.841 N/A GLY 599.A N ARG 595.A O no hydrogen 2.873 N/A HIS 600.A N VAL 596.A O no hydrogen 2.832 N/A ILE 601.A N LEU 597.A O no hydrogen 2.901 N/A SER 602.A N ILE 598.A O no hydrogen 2.775 N/A SER 602.A OG ILE 598.A O no hydrogen 2.654 N/A SER 602.A OG GLY 599.A O no hydrogen 2.965 N/A LYS 603.A N GLY 599.A O no hydrogen 2.879 N/A LYS 604.A N HIS 600.A O no hydrogen 2.986 N/A MET 605.A N ILE 601.A O no hydrogen 2.504 N/A ASN 606.A ND2 THR 569.A OG1 no hydrogen 3.150 N/A GLN 608.A N ASN 606.A OD1 no hydrogen 2.806 N/A CYS 614.A N GLU 619.A O no hydrogen 2.701 N/A SER 615.A N GLN 648.A OE1 no hydrogen 2.831 N/A SER 615.A OG GLN 648.A OE1 no hydrogen 2.625 N/A CYS 617.A N CYS 614.A O no hydrogen 2.899 N/A LYS 618.A N CYS 614.A O no hydrogen 2.568 N/A LEU 621.A N GLU 612.A O no hydrogen 2.852 N/A ARG 626.A N ASP 625.A OD1 no hydrogen 2.683 N/A ARG 626.A NH2 GLU 547.A OE2 no hydrogen 2.477 N/A LYS 627.A NZ GLU 547.A OE2 no hydrogen 3.035 N/A ALA 629.A N TRP 637.A O no hydrogen 2.853 N/A CYS 631.A SG ASN 633.A OD1 no hydrogen 3.933 N/A CYS 631.A SG HIS 635.A ND1 no hydrogen 3.132 N/A GLY 634.A N CYS 631.A O no hydrogen 2.792 N/A TRP 637.A N ALA 629.A O no hydrogen 2.910 N/A ARG 639.A N LYS 627.A O no hydrogen 2.941 N/A ARG 639.A NH1 GLU 612.A OE1 no hydrogen 3.216 N/A ARG 639.A NH1 TYR 644.A O no hydrogen 2.496 N/A ARG 639.A NH2 GLU 612.A OE1 no hydrogen 3.469 N/A CYS 640.A N GLN 645.A O no hydrogen 2.668 N/A CYS 640.A SG THR 643.A OG1 no hydrogen 3.169 N/A PHE 641.A N ILE 661.A O no hydrogen 2.769 N/A THR 643.A N CYS 640.A O no hydrogen 3.279 N/A TYR 644.A N CYS 640.A O no hydrogen 2.486 N/A SER 646.A N GLU 612.A OE2 no hydrogen 2.876 N/A SER 646.A OG GLU 612.A OE2 no hydrogen 2.601 N/A CYS 647.A N LEU 638.A O no hydrogen 2.683 N/A GLN 648.A N SER 646.A O no hydrogen 2.933 N/A GLN 648.A NE2 HIS 613.A O no hydrogen 2.989 N/A GLN 648.A NE2 SER 646.A OG no hydrogen 2.745 N/A ARG 653.A N ALA 662.A O no hydrogen 2.775 N/A ARG 653.A NE ARG 663.A O no hydrogen 2.909 N/A ARG 653.A NH1 PHE 689.A O no hydrogen 2.382 N/A ARG 653.A NH2 ARG 663.A O no hydrogen 3.320 N/A ARG 653.A NH2 LEU 677.A O no hydrogen 2.548 N/A CYS 655.A N SER 660.A O no hydrogen 2.750 N/A CYS 655.A SG ASP 659.A OD1 no hydrogen 2.514 N/A CYS 655.A SG PRO 687.A O no hydrogen 3.948 N/A LEU 656.A N PRO 687.A O no hydrogen 2.973 N/A HIS 658.A N CYS 655.A O no hydrogen 2.872 N/A ALA 662.A N ARG 653.A O no hydrogen 2.889 N/A ARG 663.A NH1 ASP 669.A OD2 no hydrogen 2.949 N/A ARG 663.A NH2 ASP 669.A OD1 no hydrogen 3.230 N/A ARG 663.A NH2 ASP 669.A OD2 no hydrogen 3.309 N/A ALA 666.A N ASP 669.A OD2 no hydrogen 2.746 N/A ASP 669.A N ALA 666.A O no hydrogen 2.815 N/A LYS 674.A N PRO 670.A O no hydrogen 2.967 N/A ARG 675.A N ASP 671.A O no hydrogen 2.798 N/A ARG 675.A NH1 ASP 671.A OD1 no hydrogen 2.538 N/A LEU 676.A N TRP 672.A O no hydrogen 2.956 N/A LEU 677.A N ILE 673.A O no hydrogen 2.685 N/A GLN 678.A N ARG 675.A O no hydrogen 3.003 N/A GLN 678.A NE2 LYS 674.A O no hydrogen 2.991 N/A SER 679.A N LEU 676.A O no hydrogen 2.927 N/A SER 679.A OG PRO 680.A O no hydrogen 2.988 N/A CYS 681.A N SER 686.A O no hydrogen 3.094 N/A CYS 681.A SG ASP 659.A OD2 no hydrogen 3.131 N/A CYS 681.A SG SER 660.A OG no hydrogen 2.487 N/A CYS 684.A SG ASP 659.A OD1 no hydrogen 2.740 N/A CYS 684.A SG ASP 659.A OD2 no hydrogen 2.605 N/A ASP 685.A N CYS 681.A O no hydrogen 3.116 N/A