Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4bp8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 7.A N SER 643.A OG no hydrogen 2.801 N/A HIS 9.A NE2 GLU 647.A OE1 no hydrogen 2.880 N/A ARG 10.A N PRO 37.A O no hydrogen 2.658 N/A VAL 14.A N ARG 34.A O no hydrogen 2.818 N/A PHE 16.A N ARG 32.A O no hydrogen 2.858 N/A GLY 17.A N ASN 599.A OD1 no hydrogen 2.866 N/A GLU 22.A N VAL 19.A O no hydrogen 3.180 N/A ARG 24.A NE GLU 22.A OE1 no hydrogen 2.953 N/A ARG 24.A NH1 VAL 15.A O no hydrogen 3.039 N/A ARG 24.A NH1 ASN 599.A OD1 no hydrogen 2.996 N/A ARG 24.A NH2 GLU 22.A OE1 no hydrogen 2.974 N/A GLY 25.A N ASP 23.A OD1 no hydrogen 2.972 N/A ARG 32.A N PHE 16.A O no hydrogen 2.902 N/A ARG 34.A N VAL 14.A O no hydrogen 2.967 N/A ARG 34.A NH1 ASP 613.A OD1 no hydrogen 3.048 N/A ARG 34.A NH2 ASN 607.A OD1 no hydrogen 2.611 N/A ASP 36.A N HIS 12.A O no hydrogen 2.814 N/A LEU 38.A N ASP 36.A OD1 no hydrogen 3.037 N/A PHE 39.A N ASP 36.A O no hydrogen 3.129 N/A TRP 40.A NE1 ALA 8.A O no hydrogen 3.005 N/A LEU 41.A N LEU 38.A O no hydrogen 3.186 N/A ARG 42.A N PHE 39.A O no hydrogen 3.076 N/A ARG 42.A NE ASP 44.A OD1 no hydrogen 2.805 N/A ARG 42.A NH1 ASP 582.A OD2 no hydrogen 2.962 N/A ARG 42.A NH2 ASP 44.A OD1 no hydrogen 3.010 N/A ARG 42.A NH2 ASP 44.A OD2 no hydrogen 3.379 N/A ARG 42.A NH2 SER 584.A OG no hydrogen 3.073 N/A ASP 43.A N TYR 635.A OH no hydrogen 2.778 N/A ASN 45.A N ASP 43.A OD1 no hydrogen 3.012 N/A ARG 46.A N ASP 43.A O no hydrogen 2.865 N/A ARG 46.A NE ASP 44.A O no hydrogen 3.132 N/A ARG 46.A NH2 ASP 44.A O no hydrogen 3.374 N/A ALA 47.A N ASP 43.A OD2 no hydrogen 2.774 N/A ASP 48.A N ASP 43.A OD2 no hydrogen 2.727 N/A GLU 50.A N ASP 48.A OD2 no hydrogen 2.906 N/A VAL 51.A N ASP 48.A OD2 no hydrogen 3.059 N/A LEU 52.A N ASP 48.A O no hydrogen 2.945 N/A ALA 53.A N PRO 49.A O no hydrogen 2.870 N/A HIS 54.A N GLU 50.A O no hydrogen 3.083 N/A LEU 55.A N VAL 51.A O no hydrogen 3.051 N/A HIS 56.A N LEU 52.A O no hydrogen 2.884 N/A HIS 56.A ND1 LEU 52.A O no hydrogen 2.956 N/A LEU 57.A N ALA 53.A O no hydrogen 3.124 N/A GLU 58.A N HIS 54.A O no hydrogen 3.259 N/A LYS 59.A N LEU 55.A O no hydrogen 2.874 N/A ASP 60.A N HIS 56.A O no hydrogen 2.928 N/A TYR 61.A N LEU 57.A O no hydrogen 2.959 N/A TYR 62.A N GLU 58.A O no hydrogen 2.853 N/A GLU 63.A N LYS 59.A O no hydrogen 2.936 N/A LYS 64.A N ASP 60.A O no hydrogen 3.139 N/A ARG 65.A N TYR 62.A O no hydrogen 3.026 N/A ARG 65.A NE GLU 654.A OE1 no hydrogen 2.861 N/A ALA 66.A N TYR 62.A O no hydrogen 2.917 N/A ALA 66.A N GLU 63.A O no hydrogen 3.277 N/A ILE 69.A N ALA 66.A O no hydrogen 3.030 N/A LYS 70.A N VAL 67.A O no hydrogen 3.437 N/A LYS 70.A NZ GLU 63.A OE1 no hydrogen 3.422 N/A ALA 73.A N ILE 69.A O no hydrogen 2.933 N/A GLU 74.A N LYS 70.A O no hydrogen 3.113 N/A THR 75.A N ASP 71.A O no hydrogen 3.007 N/A THR 75.A OG1 ASP 71.A O no hydrogen 3.237 N/A ILE 76.A N LEU 72.A O no hydrogen 2.929 N/A TYR 77.A N ALA 73.A O no hydrogen 2.834 N/A GLN 78.A N GLU 74.A O no hydrogen 2.945 N/A GLU 79.A N THR 75.A O no hydrogen 3.042 N/A HIS 80.A N ILE 76.A O no hydrogen 2.940 N/A HIS 80.A NE2 GLN 681.A OE1 no hydrogen 2.926 N/A ILE 81.A N TYR 77.A O no hydrogen 2.996 N/A SER 82.A N GLN 78.A O no hydrogen 3.114 N/A SER 82.A OG GLU 79.A O no hydrogen 2.904 N/A HIS 83.A N HIS 80.A O no hydrogen 3.070 N/A ILE 84.A N ILE 81.A O no hydrogen 3.005 N/A ASP 88.A N ASP 103.A O no hydrogen 3.242 N/A TYR 92.A N TYR 99.A O no hydrogen 3.069 N/A TYR 94.A N PHE 97.A O no hydrogen 3.014 N/A PHE 97.A N TYR 94.A O no hydrogen 3.034 N/A LEU 98.A N VAL 115.A O no hydrogen 2.861 N/A TYR 99.A N TYR 92.A O no hydrogen 3.015 N/A TYR 99.A OH HIS 155.A ND1 no hydrogen 2.861 N/A TYR 100.A N CYS 113.A O no hydrogen 3.196 N/A TYR 100.A OH GLU 127.A OE2 no hydrogen 2.662 N/A THR 101.A N SER 89.A OG no hydrogen 3.034 N/A ARG 102.A N LEU 111.A O no hydrogen 2.801 N/A ARG 102.A NE GLU 127.A OE2 no hydrogen 2.884 N/A ARG 102.A NH2 GLU 127.A OE1 no hydrogen 2.896 N/A ASP 103.A N ASP 88.A O no hydrogen 2.907 N/A LEU 107.A N VAL 104.A O no hydrogen 3.082 N/A TYR 109.A N ASN 134.A OD1 no hydrogen 3.026 N/A LEU 111.A N ARG 102.A O no hydrogen 2.857 N/A HIS 112.A N LEU 131.A O no hydrogen 2.831 N/A HIS 112.A NE2 GLU 133.A OE2 no hydrogen 2.618 N/A CYS 113.A N TYR 100.A O no hydrogen 2.719 N/A CYS 113.A SG LEU 111.A O no hydrogen 3.590 N/A CYS 113.A SG GLU 127.A OE2 no hydrogen 3.270 N/A ARG 114.A N GLU 128.A O no hydrogen 3.039 N/A ARG 114.A NE TYR 99.A OH no hydrogen 3.188 N/A ARG 114.A NH2 TYR 99.A OH no hydrogen 2.874 N/A ARG 114.A NH2 HIS 155.A O no hydrogen 2.856 N/A VAL 115.A N LEU 98.A O no hydrogen 3.018 N/A ALA 117.A N ARG 96.A O no hydrogen 2.904 N/A LYS 119.A N PRO 116.A O no hydrogen 2.911 N/A GLY 122.A N TYR 100.A OH no hydrogen 2.832 N/A GLU 127.A N GLY 124.A O no hydrogen 3.294 N/A GLU 128.A N ARG 114.A O no hydrogen 2.857 N/A VAL 130.A N HIS 112.A O no hydrogen 2.758 N/A LEU 131.A N HIS 112.A O no hydrogen 3.224 N/A GLU 133.A N LYS 110.A O no hydrogen 3.232 N/A ASN 134.A N ASP 132.A OD1 no hydrogen 3.017 N/A ASN 134.A ND2 TYR 109.A O no hydrogen 2.894 N/A ASN 134.A ND2 ASP 132.A OD1 no hydrogen 2.847 N/A LYS 135.A N ASP 132.A O no hydrogen 3.034 N/A ALA 137.A N GLU 133.A O no hydrogen 2.849 N/A GLU 138.A N LYS 135.A O no hydrogen 3.383 N/A LYS 140.A N ALA 137.A O no hydrogen 3.053 N/A VAL 144.A N ASP 163.A O no hydrogen 2.994 N/A GLY 146.A N SER 161.A O no hydrogen 2.812 N/A ALA 149.A N ALA 159.A O no hydrogen 2.572 N/A ALA 151.A N LEU 157.A O no hydrogen 2.879 N/A HIS 155.A N ALA 151.A O no hydrogen 2.800 N/A HIS 155.A ND1 TYR 99.A OH no hydrogen 2.861 N/A HIS 155.A NE2 ASP 95.A OD2 no hydrogen 2.743 N/A ALA 159.A N ALA 149.A O no hydrogen 2.837 N/A TYR 160.A N ARG 173.A O no hydrogen 2.958 N/A SER 161.A N CYS 147.A O no hydrogen 3.029 N/A SER 161.A OG GLY 188.A O no hydrogen 2.638 N/A VAL 162.A N SER 171.A O no hydrogen 3.063 N/A ASP 163.A N VAL 144.A O no hydrogen 2.893 N/A CYS 165.A N ASP 163.A OD1 no hydrogen 2.730 N/A GLY 166.A N ASP 163.A OD1 no hydrogen 3.134 N/A GLY 166.A N ASP 163.A OD2 no hydrogen 3.122 N/A GLU 168.A N ASP 163.A OD2 no hydrogen 3.211 N/A VAL 169.A N ASP 167.A OD1 no hydrogen 2.903 N/A TYR 170.A N THR 186.A O no hydrogen 2.809 N/A SER 171.A N VAL 162.A O no hydrogen 3.202 N/A ILE 172.A N VAL 183.A O no hydrogen 2.721 N/A ARG 173.A N TYR 160.A O no hydrogen 2.801 N/A VAL 175.A N VAL 158.A O no hydrogen 2.960 N/A ASP 177.A N PHE 174.A O no hydrogen 2.952 N/A VAL 178.A N VAL 175.A O no hydrogen 3.429 N/A ASP 181.A N ASP 181.A OD1 no hydrogen 2.613 N/A VAL 183.A N ILE 172.A O no hydrogen 3.292 N/A GLU 184.A N GLN 222.A OE1 no hydrogen 2.892 N/A THR 186.A N TYR 170.A O no hydrogen 2.960 N/A THR 186.A OG1 TYR 170.A O no hydrogen 2.613 N/A ASN 187.A N ILE 202.A O no hydrogen 3.001 N/A ASN 187.A ND2 ASP 210.A OD2 no hydrogen 2.794 N/A GLY 188.A N THR 186.A OG1 no hydrogen 3.207 N/A SER 189.A N ASN 187.A OD1 no hydrogen 3.110 N/A SER 189.A OG ASN 187.A OD1 no hydrogen 3.088 N/A VAL 191.A N PHE 200.A O no hydrogen 3.074 N/A TRP 192.A NE1 ALA 149.A O no hydrogen 2.646 N/A GLY 193.A N CYS 198.A O no hydrogen 2.839 N/A GLU 197.A N PRO 194.A O no hydrogen 3.209 N/A PHE 199.A N HIS 216.A O no hydrogen 2.853 N/A PHE 200.A N VAL 191.A O no hydrogen 2.792 N/A TYR 201.A N TRP 214.A O no hydrogen 3.124 N/A TYR 201.A OH ASP 225.A OD2 no hydrogen 2.525 N/A THR 203.A N LYS 212.A O no hydrogen 3.085 N/A LYS 204.A NZ LYS 208.A O no hydrogen 3.446 N/A LYS 204.A NZ ASP 210.A OD1 no hydrogen 2.803 N/A ASP 205.A N ARG 209.A O no hydrogen 3.097 N/A LYS 208.A N ASP 205.A O no hydrogen 3.272 N/A ARG 209.A NE PHE 236.A O no hydrogen 2.784 N/A ARG 209.A NH1 ASP 232.A OD1 no hydrogen 3.264 N/A ARG 209.A NH2 ASP 231.A O no hydrogen 2.263 N/A ARG 209.A NH2 PHE 236.A O no hydrogen 3.100 N/A ASN 211.A N THR 203.A O no hydrogen 3.073 N/A ASN 211.A ND2 ASP 232.A OD1 no hydrogen 2.947 N/A LYS 212.A NZ THR 230.A OG1 no hydrogen 2.971 N/A VAL 213.A N TYR 229.A O no hydrogen 2.843 N/A TRP 214.A N TYR 201.A O no hydrogen 2.759 N/A TRP 214.A NE1 THR 203.A OG1 no hydrogen 2.753 N/A ARG 215.A N VAL 226.A O no hydrogen 2.900 N/A ARG 215.A NE ASN 272.A OD1 no hydrogen 3.151 N/A ARG 215.A NH2 ASN 272.A OD1 no hydrogen 2.806 N/A HIS 216.A N PHE 199.A O no hydrogen 2.819 N/A HIS 216.A ND1 ASP 225.A OD1 no hydrogen 2.860 N/A HIS 216.A NE2 ASP 181.A OD2 no hydrogen 2.976 N/A ILE 218.A N GLU 197.A O no hydrogen 2.906 N/A GLY 219.A N ASP 181.A OD2 no hydrogen 2.529 N/A GLN 220.A N ILE 217.A O no hydrogen 3.090 N/A GLN 222.A NE2 GLU 184.A O no hydrogen 3.014 N/A GLN 222.A NE2 TYR 201.A OH no hydrogen 3.475 N/A GLU 224.A N PRO 221.A O no hydrogen 3.045 N/A ASP 225.A N GLN 222.A O no hydrogen 2.814 N/A CYS 227.A SG VAL 213.A O no hydrogen 3.920 N/A CYS 227.A SG TYR 229.A O no hydrogen 3.610 N/A CYS 227.A SG THR 230.A OG1 no hydrogen 3.669 N/A LEU 228.A N VAL 213.A O no hydrogen 2.612 N/A TYR 229.A OH SER 253.A OG no hydrogen 2.390 N/A ASP 231.A N ASN 211.A O no hydrogen 2.838 N/A ASP 233.A N ASP 231.A OD1 no hydrogen 2.979 N/A LEU 235.A N ASP 233.A OD1 no hydrogen 3.004 N/A PHE 236.A N ASP 233.A O no hydrogen 2.913 N/A VAL 238.A N ASP 210.A O no hydrogen 2.886 N/A GLY 239.A N CYS 252.A O no hydrogen 2.880 N/A GLY 241.A N ILE 250.A O no hydrogen 2.866 N/A ARG 242.A NE GLY 246.A O no hydrogen 3.070 N/A ARG 242.A NH2 GLY 246.A O no hydrogen 2.778 N/A SER 243.A N THR 248.A O no hydrogen 2.800 N/A SER 243.A OG ASP 245.A OD1 no hydrogen 2.771 N/A SER 243.A OG THR 248.A O no hydrogen 3.301 N/A GLY 246.A N SER 243.A O no hydrogen 2.959 N/A LYS 247.A N ASP 245.A OD1 no hydrogen 2.939 N/A THR 248.A N SER 243.A OG no hydrogen 3.124 N/A LEU 249.A N LEU 263.A O no hydrogen 2.777 N/A ILE 250.A N GLY 241.A O no hydrogen 2.689 N/A ILE 251.A N HIS 261.A O no hydrogen 2.684 N/A CYS 252.A N GLY 239.A O no hydrogen 2.907 N/A CYS 252.A SG GLY 239.A O no hydrogen 3.675 N/A SER 253.A N GLU 259.A O no hydrogen 2.951 N/A SER 253.A OG TYR 229.A OH no hydrogen 2.390 N/A SER 253.A OG ASP 231.A OD2 no hydrogen 2.767 N/A SER 254.A OG THR 257.A O no hydrogen 2.963 N/A THR 257.A N SER 254.A OG no hydrogen 2.885 N/A SER 258.A N VAL 283.A O no hydrogen 3.316 N/A SER 258.A OG TYR 285.A O no hydrogen 3.408 N/A GLU 259.A N SER 253.A O no hydrogen 3.017 N/A SER 260.A N TYR 285.A OH no hydrogen 2.939 N/A HIS 261.A N ILE 251.A O no hydrogen 2.624 N/A HIS 261.A NE2 GLU 259.A OE1 no hydrogen 3.027 N/A LEU 262.A N GLU 275.A O no hydrogen 2.759 N/A LEU 263.A N LEU 249.A O no hydrogen 2.754 N/A LEU 265.A N LYS 247.A O no hydrogen 2.856 N/A ARG 266.A N ASP 264.A OD1 no hydrogen 3.025 N/A ARG 266.A NH1 ASP 264.A OD1 no hydrogen 3.468 N/A ARG 266.A NH1 ASP 264.A OD2 no hydrogen 2.834 N/A HIS 271.A N GLY 268.A O no hydrogen 3.414 N/A GLU 275.A N LEU 262.A O no hydrogen 2.755 N/A ARG 277.A N TYR 285.A OH no hydrogen 3.022 N/A ARG 277.A NH1 GLU 280.A OE1 no hydrogen 2.746 N/A ARG 277.A NH2 GLU 280.A OE1 no hydrogen 3.335 N/A ARG 279.A N GLU 259.A OE2 no hydrogen 2.942 N/A ARG 279.A NE GLU 259.A OE2 no hydrogen 3.024 N/A ARG 279.A NH1 ASP 231.A OD2 no hydrogen 2.694 N/A ARG 279.A NH2 ASP 231.A OD2 no hydrogen 2.960 N/A ARG 279.A NH2 SER 253.A OG no hydrogen 3.242 N/A ARG 279.A NH2 GLU 259.A OE1 no hydrogen 2.943 N/A GLY 282.A N THR 257.A OG1 no hydrogen 2.935 N/A VAL 283.A N GLU 280.A O no hydrogen 2.881 N/A TYR 285.A N SER 258.A OG no hydrogen 2.797 N/A TYR 285.A OH ARG 277.A O no hydrogen 2.456 N/A THR 286.A N LEU 297.A O no hydrogen 3.035 N/A GLU 288.A N ILE 295.A O no hydrogen 2.936 N/A HIS 289.A N THR 293.A O no hydrogen 2.987 N/A HIS 289.A NE2 ALA 339.A O no hydrogen 2.822 N/A GLY 290.A N TYR 391.A OH no hydrogen 3.044 N/A LEU 294.A N THR 311.A O no hydrogen 2.756 N/A ILE 295.A N GLU 288.A O no hydrogen 2.790 N/A VAL 296.A N VAL 309.A O no hydrogen 2.772 N/A LEU 297.A N THR 286.A O no hydrogen 3.014 N/A THR 298.A N LYS 307.A O no hydrogen 2.939 N/A THR 298.A OG1 ARG 284.A O no hydrogen 2.832 N/A ASN 299.A N ARG 284.A O no hydrogen 3.029 N/A ASN 299.A ND2 CYS 303.A O no hydrogen 3.456 N/A ASN 299.A ND2 VAL 304.A O no hydrogen 3.617 N/A LYS 300.A N THR 298.A OG1 no hydrogen 3.003 N/A CYS 303.A N ASN 299.A O no hydrogen 2.979 N/A CYS 303.A SG LYS 300.A O no hydrogen 3.495 N/A CYS 303.A SG ASP 301.A O no hydrogen 3.694 N/A ASN 305.A N HIS 326.A NE2 no hydrogen 2.983 N/A ASN 305.A ND2 ASP 327.A O no hydrogen 3.071 N/A GLY 306.A N CYS 303.A O no hydrogen 2.651 N/A LYS 307.A N THR 298.A O no hydrogen 2.897 N/A LYS 307.A NZ ASP 301.A OD2 no hydrogen 2.544 N/A VAL 308.A N ILE 324.A O no hydrogen 2.951 N/A VAL 309.A N VAL 296.A O no hydrogen 2.684 N/A LEU 310.A N THR 321.A O no hydrogen 3.049 N/A THR 311.A N LEU 294.A O no hydrogen 2.931 N/A THR 311.A OG1 ASP 318.A O no hydrogen 2.882 N/A ARG 313.A N ASP 292.A O no hydrogen 2.706 N/A ARG 313.A NE THR 291.A O no hydrogen 3.069 N/A ARG 313.A NH1 GLU 275.A OE1 no hydrogen 3.392 N/A ARG 313.A NH1 GLU 275.A OE2 no hydrogen 2.954 N/A ARG 313.A NH2 THR 291.A O no hydrogen 3.141 N/A ALA 315.A N LYS 312.A O no hydrogen 2.978 N/A ASP 318.A N ALA 315.A O no hydrogen 3.306 N/A TRP 319.A NE1 PRO 316.A O no hydrogen 2.869 N/A GLY 320.A N ASP 318.A OD1 no hydrogen 2.885 N/A LEU 323.A N VAL 308.A O no hydrogen 2.748 N/A ILE 324.A N VAL 308.A O no hydrogen 3.012 N/A LYS 329.A N ASP 327.A OD1 no hydrogen 2.655 N/A VAL 330.A N ASP 327.A O no hydrogen 3.036 N/A THR 331.A N ARG 347.A O no hydrogen 2.836 N/A ILE 332.A N ASN 305.A O no hydrogen 3.101 N/A ASP 333.A N SER 345.A O no hydrogen 2.761 N/A ASP 334.A N SER 345.A O no hydrogen 3.192 N/A ALA 336.A N VAL 343.A O no hydrogen 2.849 N/A VAL 337.A N GLU 288.A OE1 no hydrogen 3.231 N/A PHE 338.A N PHE 341.A O no hydrogen 2.840 N/A ALA 339.A N TYR 391.A O no hydrogen 3.076 N/A ALA 342.A N VAL 357.A O no hydrogen 2.796 N/A VAL 343.A N ALA 336.A O no hydrogen 2.779 N/A LEU 344.A N TRP 355.A O no hydrogen 2.849 N/A SER 345.A N ASP 334.A O no hydrogen 2.758 N/A GLY 346.A N ARG 353.A O no hydrogen 3.242 N/A ARG 347.A N THR 331.A O no hydrogen 2.963 N/A ARG 347.A NH2 GLU 480.A OE1 no hydrogen 2.986 N/A ARG 348.A N LEU 351.A O no hydrogen 3.095 N/A ARG 348.A NH1 GLU 372.A OE1 no hydrogen 2.820 N/A LEU 351.A N ARG 348.A O no hydrogen 3.146 N/A THR 352.A OG1 ALA 382.A O no hydrogen 3.498 N/A ARG 353.A N GLY 346.A O no hydrogen 2.738 N/A ARG 353.A NE ARG 348.A O no hydrogen 3.108 N/A ARG 353.A NH2 ARG 348.A O no hydrogen 3.043 N/A TRP 355.A N LEU 344.A O no hydrogen 2.894 N/A TRP 355.A NE1 GLU 372.A OE1 no hydrogen 3.157 N/A THR 356.A N LYS 371.A O no hydrogen 2.929 N/A VAL 357.A N ALA 342.A O no hydrogen 3.041 N/A GLY 360.A N LEU 364.A O no hydrogen 2.882 N/A ASN 363.A N GLY 360.A O no hydrogen 3.460 N/A LEU 364.A N ASP 362.A OD1 no hydrogen 3.432 N/A SER 366.A N ARG 358.A O no hydrogen 3.095 N/A SER 367.A OG LEU 323.A O no hydrogen 2.857 N/A THR 369.A N SER 366.A O no hydrogen 3.096 N/A LEU 370.A N SER 367.A O no hydrogen 3.118 N/A LYS 371.A N THR 356.A O no hydrogen 3.035 N/A LYS 371.A NZ VAL 413.A O no hydrogen 3.519 N/A LEU 373.A N VAL 354.A O no hydrogen 3.076 N/A THR 381.A N SER 401.A O no hydrogen 2.795 N/A HIS 383.A N ARG 399.A O no hydrogen 2.992 N/A VAL 385.A N ARG 397.A O no hydrogen 2.749 N/A GLN 388.A N VAL 385.A O no hydrogen 2.888 N/A LYS 389.A NZ SER 387.A O no hydrogen 2.996 N/A LEU 396.A N GLU 411.A O no hydrogen 2.646 N/A ARG 397.A NE ASP 410.A OD1 no hydrogen 2.663 N/A ARG 397.A NH1 ALA 90.A O no hydrogen 3.567 N/A ARG 397.A NH1 PRO 91.A O no hydrogen 3.077 N/A ARG 397.A NH1 GLN 388.A OE1 no hydrogen 2.968 N/A ARG 397.A NH2 PRO 91.A O no hydrogen 2.971 N/A ARG 397.A NH2 ASP 410.A OD1 no hydrogen 3.078 N/A LEU 398.A N TYR 409.A O no hydrogen 2.933 N/A ARG 399.A N HIS 383.A O no hydrogen 2.847 N/A TYR 400.A N VAL 407.A O no hydrogen 3.020 N/A TYR 400.A OH GLU 377.A OE1 no hydrogen 2.499 N/A SER 401.A N THR 381.A O no hydrogen 3.100 N/A SER 402.A N THR 404.A O no hydrogen 3.121 N/A SER 402.A OG GLU 377.A OE1 no hydrogen 2.778 N/A THR 404.A N SER 402.A O no hydrogen 2.837 N/A VAL 407.A N TYR 400.A O no hydrogen 2.780 N/A TRP 408.A N LYS 422.A O no hydrogen 2.704 N/A TYR 409.A N LEU 398.A O no hydrogen 3.027 N/A ASP 410.A N LYS 419.A O no hydrogen 3.077 N/A GLU 411.A N LEU 396.A O no hydrogen 2.833 N/A ASP 412.A N GLU 417.A O no hydrogen 2.907 N/A VAL 413.A N SER 394.A O no hydrogen 2.997 N/A LEU 414.A N ASP 412.A OD1 no hydrogen 2.811 N/A SER 415.A N ASP 412.A OD1 no hydrogen 2.774 N/A GLY 416.A N ASP 412.A O no hydrogen 2.858 N/A GLU 417.A N SER 415.A OG no hydrogen 3.121 N/A ARG 418.A NE GLU 411.A OE1 no hydrogen 3.018 N/A ARG 418.A NH2 HIS 374.A O no hydrogen 2.846 N/A LYS 419.A N ASP 410.A O no hydrogen 2.948 N/A VAL 421.A N TRP 408.A O no hydrogen 2.807 N/A LYS 422.A N TRP 408.A O no hydrogen 3.177 N/A LYS 422.A NZ ASP 88.A OD1 no hydrogen 2.700 N/A ARG 424.A N THR 406.A O no hydrogen 2.915 N/A ARG 424.A NH2 HIS 83.A O no hydrogen 3.439 N/A PHE 430.A N GLY 427.A O no hydrogen 3.398 N/A SER 432.A OG THR 403.A O no hydrogen 2.586 N/A LYS 433.A NZ GLU 431.A OE1 no hydrogen 3.003 N/A ASN 434.A N GLU 431.A O no hydrogen 3.220 N/A TYR 435.A N SER 432.A O no hydrogen 3.215 N/A TYR 435.A OH ASP 492.A OD1 no hydrogen 2.513 N/A VAL 436.A N TYR 456.A O no hydrogen 3.021 N/A CYS 437.A SG GLU 377.A OE2 no hydrogen 3.600 N/A CYS 437.A SG VAL 379.A O no hydrogen 3.527 N/A ARG 438.A N LEU 454.A O no hydrogen 2.766 N/A ARG 438.A NE TYR 456.A OH no hydrogen 3.385 N/A ARG 438.A NH1 GLU 440.A OE2 no hydrogen 2.970 N/A ARG 438.A NH2 TYR 456.A OH no hydrogen 3.405 N/A ARG 439.A NH1 ASP 349.A O no hydrogen 2.982 N/A ARG 439.A NH2 ASP 349.A O no hydrogen 3.221 N/A GLU 440.A N ILE 452.A O no hydrogen 3.071 N/A ALA 442.A N VAL 450.A O no hydrogen 2.963 N/A ALA 444.A N THR 448.A O no hydrogen 2.956 N/A GLY 447.A N ALA 444.A O no hydrogen 2.923 N/A THR 448.A N ASP 446.A OD1 no hydrogen 2.845 N/A THR 448.A OG1 ASP 446.A OD1 no hydrogen 2.984 N/A THR 448.A OG1 ASP 446.A OD2 no hydrogen 3.212 N/A LYS 449.A NZ THR 443.A OG1 no hydrogen 3.237 N/A VAL 450.A N ALA 442.A O no hydrogen 2.810 N/A ILE 452.A N GLU 440.A O no hydrogen 2.904 N/A SER 453.A N ILE 498.A O no hydrogen 3.064 N/A SER 453.A OG HIS 500.A NE2 no hydrogen 2.727 N/A LEU 454.A N ARG 438.A O no hydrogen 2.878 N/A VAL 455.A N TYR 496.A O no hydrogen 2.821 N/A TYR 456.A N VAL 436.A O no hydrogen 3.110 N/A THR 458.A N ASN 434.A O no hydrogen 2.602 N/A SER 459.A N ASP 457.A OD1 no hydrogen 2.845 N/A SER 459.A OG ASP 457.A OD1 no hydrogen 2.660 N/A ILE 460.A N ASP 457.A O no hydrogen 3.160 N/A LYS 463.A N ASP 461.A OD1 no hydrogen 2.813 N/A LYS 463.A NZ ASP 461.A OD1 no hydrogen 3.467 N/A ASN 466.A N LEU 538.A O no hydrogen 2.741 N/A ASN 466.A ND2 ASP 461.A O no hydrogen 2.838 N/A THR 468.A N GLN 543.A O no hydrogen 2.879 N/A THR 468.A OG1 ASN 466.A O no hydrogen 2.937 N/A TYR 470.A N ALA 497.A O no hydrogen 2.789 N/A GLY 471.A N GLU 547.A O no hydrogen 3.203 N/A TYR 475.A N GLU 594.A OE2 no hydrogen 2.882 N/A GLY 476.A N GLY 503.A O no hydrogen 2.871 N/A ILE 477.A N SER 474.A O no hydrogen 3.101 N/A ILE 479.A N GLU 506.A OE2 no hydrogen 3.005 N/A PHE 483.A N SER 401.A OG no hydrogen 2.766 N/A ARG 486.A N ASN 484.A OD1 no hydrogen 3.099 N/A ARG 486.A NE ASN 484.A OD1 no hydrogen 3.105 N/A PHE 487.A N ASN 484.A O no hydrogen 3.186 N/A LEU 488.A N SER 485.A O no hydrogen 3.157 N/A VAL 491.A N PHE 487.A O no hydrogen 3.003 N/A ASP 492.A N LEU 488.A O no hydrogen 2.701 N/A ARG 493.A N TYR 490.A O no hydrogen 2.856 N/A ARG 493.A NE ARG 691.A O no hydrogen 2.732 N/A ARG 493.A NH1 GLU 79.A OE1 no hydrogen 3.163 N/A ARG 493.A NH1 GLU 79.A OE2 no hydrogen 3.347 N/A ARG 493.A NH1 PRO 489.A O no hydrogen 2.910 N/A ARG 493.A NH2 GLU 79.A OE2 no hydrogen 2.867 N/A GLY 494.A N VAL 491.A O no hydrogen 3.304 N/A ILE 495.A N PRO 467.A O no hydrogen 2.789 N/A TYR 496.A N VAL 455.A O no hydrogen 2.869 N/A ILE 498.A N SER 453.A O no hydrogen 2.743 N/A ALA 499.A N TYR 470.A O no hydrogen 2.871 N/A HIS 500.A N PRO 451.A O no hydrogen 3.000 N/A HIS 500.A ND1 GLU 506.A OE2 no hydrogen 2.938 N/A HIS 500.A NE2 SER 453.A OG no hydrogen 2.727 N/A VAL 501.A N ALA 499.A O no hydrogen 3.002 N/A ARG 502.A N ASP 525.A OD2 no hydrogen 3.051 N/A ARG 502.A NE ASP 525.A OD1 no hydrogen 3.407 N/A ARG 502.A NE ASP 525.A OD2 no hydrogen 2.799 N/A ARG 502.A NH1 ASP 446.A OD2 no hydrogen 2.793 N/A ARG 502.A NH2 ASP 446.A OD1 no hydrogen 3.492 N/A ARG 502.A NH2 ASP 446.A OD2 no hydrogen 3.539 N/A ARG 502.A NH2 ASP 525.A OD1 no hydrogen 2.606 N/A ARG 502.A NH2 ASP 525.A OD2 no hydrogen 3.526 N/A GLY 503.A N TRP 510.A O no hydrogen 2.959 N/A GLY 504.A N VAL 501.A O no hydrogen 3.220 N/A GLY 505.A N ILE 477.A O no hydrogen 2.917 N/A GLU 506.A N GLU 506.A OE1 no hydrogen 2.708 N/A ARG 508.A NE VAL 304.A O no hydrogen 2.890 N/A ARG 508.A NH1 ASP 333.A OD1 no hydrogen 2.958 N/A ARG 508.A NH2 VAL 304.A O no hydrogen 3.380 N/A TRP 510.A N GLY 507.A O no hydrogen 3.150 N/A TRP 510.A NE1 HIS 500.A O no hydrogen 3.099 N/A TYR 511.A OH GLU 594.A OE1 no hydrogen 2.512 N/A GLY 515.A N TYR 511.A O no hydrogen 2.987 N/A LYS 516.A N THR 519.A OG1 no hydrogen 3.066 N/A LYS 516.A NZ TYR 511.A OH no hydrogen 3.449 N/A TYR 517.A N GLU 594.A O no hydrogen 3.437 N/A THR 519.A N LYS 516.A O no hydrogen 2.921 N/A THR 519.A OG1 VAL 513.A O no hydrogen 2.826 N/A THR 519.A OG1 LYS 516.A O no hydrogen 2.927 N/A LYS 520.A N TYR 517.A O no hydrogen 3.247 N/A LYS 520.A NZ SER 474.A OG no hydrogen 3.031 N/A LYS 520.A NZ THR 523.A OG1 no hydrogen 3.074 N/A ARG 521.A N TYR 606.A OH no hydrogen 2.819 N/A ARG 521.A NH1 SER 608.A OG no hydrogen 3.147 N/A ASN 522.A N THR 519.A O no hydrogen 2.948 N/A ASN 522.A ND2 GLY 514.A O no hydrogen 2.791 N/A THR 523.A N LYS 520.A O no hydrogen 2.950 N/A THR 523.A OG1 ARG 502.A O no hydrogen 2.839 N/A THR 523.A OG1 LYS 520.A O no hydrogen 3.413 N/A PHE 524.A N ARG 521.A O no hydrogen 3.087 N/A PHE 526.A N THR 523.A O no hydrogen 3.285 N/A ILE 527.A N PHE 524.A O no hydrogen 3.105 N/A CYS 529.A N ASP 525.A O no hydrogen 2.888 N/A CYS 529.A SG ASP 525.A O no hydrogen 3.399 N/A ALA 530.A N PHE 526.A O no hydrogen 3.010 N/A GLU 531.A N ILE 527.A O no hydrogen 2.838 N/A HIS 532.A N ALA 528.A O no hydrogen 2.985 N/A HIS 532.A NE2 GLU 440.A OE1 no hydrogen 3.062 N/A LEU 533.A N CYS 529.A O no hydrogen 2.971 N/A ILE 534.A N ALA 530.A O no hydrogen 3.051 N/A ILE 534.A N GLU 531.A O no hydrogen 3.108 N/A SER 535.A N GLU 531.A O no hydrogen 2.762 N/A SER 535.A OG GLU 531.A O no hydrogen 3.000 N/A SER 535.A OG HIS 532.A O no hydrogen 3.378 N/A SER 536.A N HIS 532.A O no hydrogen 2.893 N/A SER 536.A OG HIS 532.A O no hydrogen 3.152 N/A GLY 537.A N ILE 534.A O no hydrogen 3.165 N/A THR 539.A N LEU 533.A O no hydrogen 3.065 N/A GLN 543.A N THR 540.A O no hydrogen 2.941 N/A GLN 543.A NE2 THR 540.A OG1 no hydrogen 2.695 N/A LEU 544.A N PRO 541.A O no hydrogen 3.323 N/A SER 545.A N THR 468.A O no hydrogen 2.755 N/A SER 545.A OG THR 468.A O no hydrogen 2.671 N/A CYS 546.A N VAL 568.A O no hydrogen 3.394 N/A GLU 547.A N LEU 469.A O no hydrogen 3.221 N/A GLY 548.A N LEU 570.A O no hydrogen 3.329 N/A SER 550.A N GLY 572.A O no hydrogen 2.789 N/A GLY 552.A N ARG 549.A O no hydrogen 2.917 N/A GLY 553.A N SER 550.A O no hydrogen 2.783 N/A LEU 554.A N SER 550.A O no hydrogen 3.398 N/A VAL 556.A N GLY 552.A O no hydrogen 3.168 N/A GLY 557.A N GLY 553.A O no hydrogen 2.859 N/A ALA 558.A N LEU 554.A O no hydrogen 3.024 N/A VAL 559.A N LEU 555.A O no hydrogen 2.972 N/A LEU 560.A N VAL 556.A O no hydrogen 2.816 N/A ASN 561.A N GLY 557.A O no hydrogen 3.410 N/A ASN 561.A ND2 PRO 611.A O no hydrogen 2.847 N/A ARG 562.A NE GLU 531.A OE2 no hydrogen 3.382 N/A ARG 562.A NH1 ASP 564.A OD1 no hydrogen 2.638 N/A ARG 562.A NH1 ASP 564.A OD2 no hydrogen 2.892 N/A ARG 562.A NH2 GLU 531.A OE2 no hydrogen 3.408 N/A ARG 562.A NH2 ASP 564.A OD2 no hydrogen 3.052 N/A LEU 565.A N ARG 562.A O no hydrogen 3.127 N/A PHE 566.A N PRO 563.A O no hydrogen 3.325 N/A HIS 567.A N LEU 544.A O no hydrogen 2.836 N/A ALA 569.A N HIS 622.A O no hydrogen 2.894 N/A LEU 570.A N CYS 546.A O no hydrogen 2.885 N/A GLY 572.A N GLY 548.A O no hydrogen 3.018 N/A VAL 573.A N GLN 625.A O no hydrogen 2.724 N/A PHE 575.A N SER 550.A O no hydrogen 3.228 N/A VAL 576.A N GLU 637.A OE1 no hydrogen 2.946 N/A ASP 577.A N GLU 637.A OE1 no hydrogen 2.716 N/A THR 579.A OG1 ASP 36.A OD2 no hydrogen 3.482 N/A THR 580.A N ASP 577.A O no hydrogen 2.985 N/A THR 580.A OG1 ASP 577.A O no hydrogen 3.231 N/A THR 580.A OG1 GLU 637.A OE2 no hydrogen 2.734 N/A CYS 581.A SG VAL 15.A O no hydrogen 3.788 N/A CYS 581.A SG THR 579.A O no hydrogen 3.426 N/A ASP 582.A N THR 580.A O no hydrogen 3.089 N/A SER 584.A N ASP 582.A OD1 no hydrogen 2.875 N/A SER 584.A OG ASP 582.A OD1 no hydrogen 2.554 N/A SER 584.A OG ASP 582.A OD2 no hydrogen 3.152 N/A ILE 585.A N ASP 582.A O no hydrogen 3.224 N/A THR 588.A N ILE 585.A O no hydrogen 3.079 N/A THR 588.A OG1 THR 580.A O no hydrogen 3.011 N/A THR 588.A OG1 ASP 582.A O no hydrogen 3.337 N/A THR 588.A OG1 ILE 585.A O no hydrogen 3.342 N/A GLU 591.A N LEU 587.A O no hydrogen 3.125 N/A TRP 592.A N THR 589.A O no hydrogen 3.325 N/A GLU 593.A N GLY 590.A O no hydrogen 3.130 N/A GLU 594.A N GLU 591.A O no hydrogen 2.994 N/A TRP 595.A N GLU 591.A O no hydrogen 2.992 N/A TRP 595.A NE1 GLU 591.A OE1 no hydrogen 2.830 N/A GLY 596.A N TRP 592.A O no hydrogen 2.918 N/A ASN 597.A ND2 ARG 24.A O no hydrogen 2.940 N/A ASN 599.A N ASN 597.A OD1 no hydrogen 2.981 N/A ASN 599.A ND2 CYS 581.A O no hydrogen 3.042 N/A ASN 599.A ND2 ASN 597.A OD1 no hydrogen 2.909 N/A GLU 600.A N ASN 597.A O no hydrogen 2.853 N/A PHE 603.A N GLU 600.A O no hydrogen 3.121 N/A PHE 604.A N GLU 600.A O no hydrogen 3.090 N/A SER 608.A N ASP 605.A O no hydrogen 2.929 N/A SER 608.A N TYR 606.A O no hydrogen 3.122 N/A SER 608.A OG TYR 606.A O no hydrogen 2.614 N/A SER 610.A OG ASP 613.A OD2 no hydrogen 2.636 N/A ILE 612.A N VAL 576.A O no hydrogen 3.114 N/A ASN 614.A N PRO 611.A O no hydrogen 2.981 N/A ASN 614.A ND2 ASN 607.A O no hydrogen 2.889 N/A ASN 614.A ND2 SER 610.A O no hydrogen 2.950 N/A VAL 615.A N ILE 612.A O no hydrogen 3.354 N/A ARG 616.A N TYR 620.A OH no hydrogen 3.116 N/A ARG 616.A NE GLN 618.A OE1 no hydrogen 3.177 N/A ARG 616.A NH2 ASN 561.A O no hydrogen 3.120 N/A GLN 618.A N ARG 616.A O no hydrogen 3.013 N/A GLN 618.A NE2 ASN 561.A O no hydrogen 2.907 N/A TYR 620.A N ASP 651.A OD2 no hydrogen 2.647 N/A TYR 620.A OH ASN 561.A OD1 no hydrogen 2.872 N/A LEU 623.A N GLU 654.A O no hydrogen 2.869 N/A GLN 625.A N ALA 571.A O no hydrogen 3.272 N/A ALA 626.A N LYS 658.A O no hydrogen 3.011 N/A LEU 628.A N ASP 659.A O no hydrogen 2.962 N/A ASP 630.A N GLY 627.A O no hydrogen 3.081 N/A ARG 632.A N ASP 630.A OD1 no hydrogen 2.641 N/A ARG 632.A NE ASP 630.A OD1 no hydrogen 3.424 N/A ARG 632.A NH2 ASP 630.A OD2 no hydrogen 2.916 N/A TYR 635.A OH LEU 41.A O no hydrogen 2.601 N/A GLU 637.A N ALA 634.A O no hydrogen 3.284 N/A ALA 639.A N TYR 635.A O no hydrogen 3.332 N/A LYS 640.A N TRP 636.A O no hydrogen 2.677 N/A LYS 640.A NZ ASP 36.A OD2 no hydrogen 2.782 N/A LYS 640.A NZ ASP 577.A OD2 no hydrogen 2.745 N/A TRP 641.A N GLU 637.A O no hydrogen 2.938 N/A ALA 642.A N PRO 638.A O no hydrogen 2.940 N/A SER 643.A N ALA 639.A O no hydrogen 3.186 N/A LYS 644.A N LYS 640.A O no hydrogen 2.948 N/A LYS 644.A NZ ILE 612.A O no hydrogen 3.020 N/A LEU 645.A N TRP 641.A O no hydrogen 2.983 N/A ARG 646.A N ALA 642.A O no hydrogen 3.054 N/A ARG 646.A NE VAL 655.A O no hydrogen 3.306 N/A ARG 646.A NH1 PRO 5.A O no hydrogen 2.935 N/A ARG 646.A NH1 GLU 58.A OE2 no hydrogen 2.721 N/A ARG 646.A NH2 GLU 58.A OE2 no hydrogen 2.516 N/A ARG 646.A NH2 VAL 655.A O no hydrogen 2.728 N/A GLU 647.A N SER 643.A O no hydrogen 3.059 N/A GLU 647.A N LYS 644.A O no hydrogen 3.100 N/A LEU 648.A N LYS 644.A O no hydrogen 3.190 N/A LEU 648.A N LEU 645.A O no hydrogen 3.359 N/A LYS 649.A N LEU 645.A O no hydrogen 2.862 N/A LYS 649.A NZ ASP 651.A O no hydrogen 3.097 N/A LYS 649.A NZ ASP 651.A OD1 no hydrogen 2.748 N/A LYS 649.A NZ ASN 653.A O no hydrogen 2.873 N/A THR 650.A N GLN 618.A O no hydrogen 3.088 N/A THR 650.A OG1 ASP 619.A OD1 no hydrogen 2.715 N/A ASN 653.A N ASP 651.A OD1 no hydrogen 3.002 N/A ASN 653.A ND2 TYR 620.A O no hydrogen 2.761 N/A GLU 654.A N HIS 622.A ND1 no hydrogen 3.170 N/A LEU 656.A N LEU 623.A O no hydrogen 2.769 N/A LYS 658.A N ILE 624.A O no hydrogen 2.690 N/A GLU 661.A N ASP 659.A OD1 no hydrogen 2.786 N/A SER 662.A N ASP 659.A OD1 no hydrogen 2.944 N/A SER 662.A OG ASP 659.A OD2 no hydrogen 2.693 N/A GLY 663.A N SER 666.A OG no hydrogen 2.961 N/A SER 666.A N GLY 663.A O no hydrogen 3.038 N/A TYR 671.A N ASP 669.A O no hydrogen 2.958 N/A LYS 672.A NZ ASP 659.A OD2 no hydrogen 3.233 N/A LYS 672.A NZ GLU 676.A OE2 no hydrogen 3.321 N/A LEU 674.A N ARG 670.A O no hydrogen 3.178 N/A ARG 675.A N TYR 671.A O no hydrogen 3.151 N/A ARG 675.A NH2 GLU 74.A OE2 no hydrogen 2.985 N/A GLU 676.A N LYS 672.A O no hydrogen 3.100 N/A ASN 677.A N TYR 673.A O no hydrogen 2.961 N/A ASN 677.A ND2 TYR 673.A O no hydrogen 3.689 N/A ALA 678.A N LEU 674.A O no hydrogen 3.093 N/A ILE 679.A N ARG 675.A O no hydrogen 3.397 N/A GLN 680.A N GLU 676.A O no hydrogen 3.348 N/A GLN 680.A NE2 GLN 625.A OE1 no hydrogen 2.774 N/A GLN 681.A N ASN 677.A O no hydrogen 2.938 N/A GLN 681.A NE2 ARG 486.A O no hydrogen 2.802 N/A ALA 682.A N ALA 678.A O no hydrogen 2.946 N/A PHE 683.A N ILE 679.A O no hydrogen 2.972 N/A VAL 684.A N GLN 680.A O no hydrogen 3.026 N/A LEU 685.A N GLN 681.A O no hydrogen 2.903 N/A LYS 686.A N ALA 682.A O no hydrogen 2.831 N/A LYS 686.A NZ GLU 654.A OE2 no hydrogen 3.524 N/A HIS 687.A N PHE 683.A O no hydrogen 3.092 N/A HIS 687.A NE2 GLU 654.A OE2 no hydrogen 2.708 N/A LEU 688.A N VAL 684.A O no hydrogen 2.953 N/A ASN 689.A N LYS 686.A O no hydrogen 3.134 N/A VAL 690.A N LEU 685.A O no hydrogen 3.025 N/A ARG 691.A NH2 ASP 68.A O no hydrogen 2.574 N/A LEU 694.A N ASP 492.A O no hydrogen 3.016 N/A ARG 695.A NE ASP 457.A OD1 no hydrogen 3.467 N/A ARG 695.A NE ASP 457.A OD2 no hydrogen 2.841 N/A ARG 695.A NH2 ASP 457.A OD1 no hydrogen 2.929 N/A