Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ttd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 6.A N GLY 35.A O no hydrogen 3.047 N/A ALA 7.A N PRO 171.A O no hydrogen 2.904 N/A THR 8.A N ALA 203.A O no hydrogen 3.052 N/A THR 8.A OG1 ALA 203.A O no hydrogen 3.463 N/A LEU 13.A N CYS 9.A O no hydrogen 3.047 N/A ALA 14.A N PRO 10.A O no hydrogen 2.857 N/A GLU 15.A N ALA 11.A O no hydrogen 3.038 N/A MET 16.A N CYS 12.A O no hydrogen 2.812 N/A ASN 17.A N LEU 13.A O no hydrogen 3.040 N/A ASN 17.A ND2 GLN 212.A OE1 no hydrogen 2.929 N/A THR 18.A N GLU 15.A O no hydrogen 3.345 N/A THR 18.A OG1 ALA 14.A O no hydrogen 2.503 N/A GLU 21.A N THR 18.A O no hydrogen 3.033 N/A ARG 22.A NH1 GLU 65.A OE2 no hydrogen 3.150 N/A ARG 22.A NH2 GLU 65.A OE1 no hydrogen 3.166 N/A ARG 23.A NE ALA 80.A O no hydrogen 2.835 N/A ARG 23.A NH1 GLU 65.A OE1 no hydrogen 2.795 N/A ARG 23.A NH2 GLU 15.A OE2 no hydrogen 2.751 N/A ARG 23.A NH2 GLU 65.A OE1 no hydrogen 3.094 N/A TYR 24.A N GLU 21.A O no hydrogen 3.065 N/A ARG 25.A N MET 16.A O no hydrogen 2.755 N/A ARG 25.A NE GLU 100.A OE1 no hydrogen 3.263 N/A ARG 25.A NH2 GLU 100.A OE2 no hydrogen 2.968 N/A ARG 25.A NH2 GLU 213.A OE1 no hydrogen 3.364 N/A TYR 26.A N ARG 23.A O no hydrogen 2.946 N/A TYR 26.A OH PRO 86.A O no hydrogen 2.743 N/A ILE 29.A N TYR 26.A O no hydrogen 3.481 N/A THR 32.A N ARG 72.A O no hydrogen 3.098 N/A CYS 34.A N CYS 31.A O no hydrogen 3.391 N/A GLY 35.A N ALA 6.A O no hydrogen 2.938 N/A ARG 37.A N ASP 5.A OD2 no hydrogen 2.720 N/A ARG 37.A NH1 CYS 31.A O no hydrogen 3.270 N/A ARG 37.A NH1 THR 32.A O no hydrogen 3.126 N/A ARG 37.A NH1 CYS 34.A O no hydrogen 3.228 N/A ARG 37.A NH2 CYS 34.A O no hydrogen 3.246 N/A ARG 37.A NH2 PRO 36.A O no hydrogen 2.885 N/A THR 39.A N ASP 5.A OD2 no hydrogen 3.266 N/A THR 39.A OG1 ASP 5.A OD2 no hydrogen 2.626 N/A ILE 40.A N ARG 37.A O no hydrogen 2.981 N/A ARG 42.A N PHE 50.A O no hydrogen 2.893 N/A ALA 43.A N PHE 50.A O no hydrogen 3.334 N/A MET 44.A N ASN 340.A OD1 no hydrogen 2.645 N/A ARG 48.A N GLN 77.A OE1 no hydrogen 2.857 N/A ARG 48.A NH1 GLN 77.A O no hydrogen 2.933 N/A ARG 48.A NH1 VAL 79.A O no hydrogen 2.660 N/A ARG 48.A NH2 PHE 56.A O no hydrogen 2.709 N/A ARG 48.A NH2 VAL 79.A O no hydrogen 3.286 N/A PHE 50.A N ASP 47.A O no hydrogen 2.718 N/A THR 51.A N ARG 48.A O no hydrogen 3.002 N/A THR 51.A OG1 ARG 48.A O no hydrogen 2.723 N/A VAL 52.A N ILE 40.A O no hydrogen 2.772 N/A MET 53.A N THR 51.A OG1 no hydrogen 3.000 N/A ALA 54.A N THR 51.A O no hydrogen 3.263 N/A PHE 56.A N MET 53.A O no hydrogen 3.037 N/A ASP 63.A N CYS 59.A O no hydrogen 3.039 N/A LYS 64.A N PRO 60.A O no hydrogen 2.975 N/A GLU 65.A N ALA 61.A O no hydrogen 3.274 N/A TYR 66.A N CYS 62.A O no hydrogen 2.878 N/A TYR 66.A OH GLN 77.A OE1 no hydrogen 2.676 N/A ARG 67.A N ASP 63.A O no hydrogen 3.036 N/A ASP 68.A N LYS 64.A O no hydrogen 3.179 N/A LEU 70.A N ASP 68.A OD1 no hydrogen 2.867 N/A ASP 71.A N ASP 68.A O no hydrogen 2.988 N/A ARG 72.A NH2 GLU 15.A OE1 no hydrogen 2.700 N/A ARG 73.A N ASP 71.A OD1 no hydrogen 2.866 N/A PHE 74.A N ASP 71.A O no hydrogen 2.941 N/A HIS 75.A N TYR 66.A O no hydrogen 2.891 N/A ALA 76.A N ARG 73.A O no hydrogen 2.856 N/A VAL 79.A N ALA 76.A O no hydrogen 2.945 N/A GLY 85.A N CYS 81.A O no hydrogen 2.720 N/A TYR 87.A N ASN 252.A OD1 no hydrogen 2.970 N/A GLU 89.A N ILE 250.A O no hydrogen 2.750 N/A TRP 90.A N ALA 97.A O no hydrogen 2.910 N/A TRP 90.A NE1 GLU 95.A OE1.B no hydrogen 3.149 N/A VAL 91.A N PHE 248.A O no hydrogen 2.987 N/A SER 92.A N GLU 95.A O.A no hydrogen 2.854 N/A SER 92.A N GLU 95.A O.B no hydrogen 3.142 N/A SER 92.A OG ASP 246.A O no hydrogen 2.814 N/A HIS 96.A NE2 GLU 89.A OE2 no hydrogen 2.590 N/A ALA 97.A N TRP 90.A O no hydrogen 3.108 N/A GLN 99.A N LEU 88.A O no hydrogen 3.047 N/A ALA 102.A N GLU 98.A O no hydrogen 3.161 N/A LEU 103.A N GLN 99.A O no hydrogen 3.153 N/A GLN 104.A N GLU 100.A O no hydrogen 2.921 N/A ALA 105.A N ALA 101.A O no hydrogen 3.003 N/A ALA 106.A N ALA 102.A O no hydrogen 3.240 N/A ILE 107.A N LEU 103.A O no hydrogen 2.977 N/A ALA 108.A N GLN 104.A O no hydrogen 2.912 N/A GLN 109.A N ALA 105.A O no hydrogen 3.013 N/A LEU 110.A N ALA 106.A O no hydrogen 2.953 N/A LYS 111.A N ILE 107.A O no hydrogen 3.033 N/A MET 112.A N ALA 108.A O no hydrogen 3.127 N/A MET 112.A N GLN 109.A O no hydrogen 3.230 N/A GLY 113.A N LEU 110.A O no hydrogen 3.116 N/A ASN 114.A N GLN 109.A O no hydrogen 3.001 N/A ILE 115.A N.A ASP 246.A OD2 no hydrogen 2.886 N/A ILE 115.A N.B ASP 246.A OD2 no hydrogen 2.866 N/A VAL 116.A N ALA 127.A O no hydrogen 3.021 N/A ALA 117.A N GLY 247.A O no hydrogen 3.053 N/A ILE 118.A N HIS 125.A O no hydrogen 2.803 N/A LYS 119.A N LEU 249.A O no hydrogen 2.962 N/A LYS 119.A NZ HIS 251.A O no hydrogen 3.178 N/A LYS 119.A NZ ARG 253.A O no hydrogen 2.762 N/A GLY 120.A N GLY 123.A O no hydrogen 2.738 N/A HIS 125.A N ILE 118.A O no hydrogen 2.809 N/A HIS 125.A NE2 ASP 261.A OD1 no hydrogen 2.990 N/A LEU 126.A N THR 221.A O no hydrogen 2.734 N/A ALA 127.A N VAL 116.A O no hydrogen 2.836 N/A CYS 128.A SG ASP 129.A O no hydrogen 3.986 N/A ALA 130.A N PRO 217.A O no hydrogen 3.032 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 3.078 N/A ARG 131.A NE ASP 129.A OD1 no hydrogen 2.924 N/A ARG 131.A NE ASP 129.A OD2 no hydrogen 3.449 N/A ARG 131.A NH1 ASP 129.A OD2 no hydrogen 2.908 N/A ASN 132.A N ASP 129.A O no hydrogen 3.086 N/A ALA 135.A N ASN 132.A OD1 no hydrogen 2.912 N/A VAL 136.A N ASN 132.A O no hydrogen 2.866 N/A ALA 137.A N SER 133.A O no hydrogen 2.922 N/A THR 138.A N ASN 134.A O no hydrogen 3.079 N/A THR 138.A OG1 ASN 134.A O no hydrogen 3.038 N/A LEU 139.A N ALA 135.A O no hydrogen 2.966 N/A ARG 140.A N VAL 136.A O no hydrogen 2.951 N/A ARG 140.A NE ASP 189.A O no hydrogen 2.867 N/A ARG 140.A NH1 ARG 145.A O no hydrogen 2.931 N/A ARG 140.A NH1 LYS 148.A O no hydrogen 2.881 N/A ARG 140.A NH2 LYS 148.A O no hydrogen 3.053 N/A ARG 140.A NH2 ASP 189.A O no hydrogen 2.880 N/A ALA 141.A N ALA 137.A O no hydrogen 2.903 N/A ARG 142.A N THR 138.A O no hydrogen 2.866 N/A ARG 142.A NH1 ASP 246.A OD1 no hydrogen 3.452 N/A ARG 142.A NH2 ILE 244.A O no hydrogen 2.678 N/A ARG 142.A NH2 ASP 246.A OD1 no hydrogen 3.024 N/A LYS 143.A N LEU 139.A O no hydrogen 3.007 N/A LYS 143.A NZ SER 222.A O no hydrogen 2.937 N/A HIS 144.A N ALA 141.A O no hydrogen 3.302 N/A ARG 145.A N ARG 140.A O no hydrogen 2.908 N/A ARG 145.A NE LYS 148.A O no hydrogen 2.964 N/A ARG 145.A NH2 PRO 149.A O no hydrogen 3.003 N/A LEU 150.A N ILE 190.A O no hydrogen 2.939 N/A VAL 152.A N GLY 198.A O no hydrogen 2.813 N/A MET 153.A N LEU 218.A O no hydrogen 2.654 N/A LEU 154.A N MET 200.A O no hydrogen 2.967 N/A LEU 160.A N ALA 157.A O no hydrogen 3.127 N/A ALA 164.A N PRO 161.A O no hydrogen 2.997 N/A ARG 165.A N PRO 161.A O no hydrogen 3.063 N/A ARG 165.A NH1 LEU 160.A O no hydrogen 3.124 N/A ARG 165.A NH1 ASP 162.A OD1 no hydrogen 2.514 N/A GLN 166.A N ASP 162.A O no hydrogen 3.006 N/A LEU 167.A N ALA 163.A O no hydrogen 3.365 N/A LEU 168.A N ALA 164.A O no hydrogen 2.886 N/A THR 169.A N ARG 165.A O no hydrogen 3.195 N/A THR 169.A OG1 ARG 165.A O no hydrogen 2.992 N/A THR 169.A OG1 GLN 166.A O no hydrogen 3.525 N/A THR 170.A N LEU 167.A O no hydrogen 3.393 N/A THR 170.A OG1 LEU 167.A O no hydrogen 2.797 N/A ALA 173.A N THR 170.A O no hydrogen 2.921 N/A ILE 175.A N SER 262.A O no hydrogen 2.790 N/A VAL 176.A N VAL 199.A O no hydrogen 2.819 N/A LEU 177.A N VAL 264.A O no hydrogen 2.972 N/A VAL 178.A N VAL 197.A O no hydrogen 3.032 N/A LYS 180.A N ASN 195.A O no hydrogen 2.902 N/A LYS 180.A NZ ALA 191.A O no hydrogen 3.063 N/A LYS 180.A NZ LEU 194.A O no hydrogen 2.831 N/A LYS 181.A N ASP 179.A OD2 no hydrogen 2.817 N/A TYR 182.A N ASP 179.A O no hydrogen 3.113 N/A VAL 183.A N LYS 180.A O no hydrogen 3.046 N/A LEU 186.A N VAL 183.A O no hydrogen 3.231 N/A CYS 187.A N ALA 130.A O no hydrogen 3.031 N/A CYS 187.A SG ALA 130.A O no hydrogen 3.572 N/A ILE 190.A N CYS 187.A O no hydrogen 3.448 N/A LEU 194.A N ALA 191.A O no hydrogen 3.133 N/A VAL 197.A N VAL 178.A O no hydrogen 2.894 N/A VAL 199.A N VAL 176.A O no hydrogen 3.007 N/A MET 200.A N VAL 152.A O no hydrogen 2.869 N/A ALA 203.A N GLN 207.A OE1 no hydrogen 2.900 N/A GLN 207.A N ASN 204.A OD1 no hydrogen 2.960 N/A HIS 208.A N ASN 204.A O no hydrogen 3.235 N/A LEU 209.A N PRO 205.A O no hydrogen 2.998 N/A LEU 210.A N LEU 206.A O no hydrogen 3.031 N/A LEU 211.A N GLN 207.A O no hydrogen 2.989 N/A GLN 212.A N HIS 208.A O no hydrogen 2.846 N/A GLN 212.A NE2 ASN 17.A OD1 no hydrogen 2.968 N/A GLU 213.A N LEU 209.A O no hydrogen 3.167 N/A LEU 214.A N LEU 210.A O no hydrogen 2.819 N/A GLN 215.A N LEU 211.A O no hydrogen 2.926 N/A GLN 215.A NE2 LEU 211.A O no hydrogen 3.054 N/A GLN 215.A NE2 GLN 212.A O no hydrogen 3.056 N/A CYS 216.A SG ASP 129.A OD1 no hydrogen 3.833 N/A CYS 216.A SG LEU 214.A O no hydrogen 3.836 N/A CYS 216.A SG PRO 217.A O no hydrogen 3.615 N/A LEU 218.A N MET 153.A O no hydrogen 2.855 N/A VAL 219.A N CYS 128.A O no hydrogen 2.818 N/A MET 220.A N ALA 151.A O no hydrogen 2.974 N/A THR 221.A N LEU 126.A O no hydrogen 2.995 N/A SER 222.A OG ASN 224.A OD1 no hydrogen 3.234 N/A GLY 223.A N PHE 124.A O no hydrogen 2.672 N/A LYS 228.A N LEU 225.A O no hydrogen 3.104 N/A ASN 234.A ND2 HIS 251.A O no hydrogen 3.499 N/A GLN 236.A N.A SER 233.A OG no hydrogen 3.260 N/A GLN 236.A N.B SER 233.A OG no hydrogen 3.277 N/A GLN 236.A NE2.A ASP 240.A OD1 no hydrogen 3.162 N/A GLN 236.A NE2.B ASP 240.A OD2 no hydrogen 2.809 N/A ALA 237.A N SER 233.A O no hydrogen 2.998 N/A LEU 238.A N ASN 234.A O no hydrogen 2.865 N/A GLU 239.A N GLU 235.A O no hydrogen 3.034 N/A ASP 240.A N GLN 236.A O.A no hydrogen 2.898 N/A ASP 240.A N GLN 236.A O.B no hydrogen 2.756 N/A LEU 241.A N ALA 237.A O no hydrogen 2.955 N/A ILE 244.A N LEU 241.A O no hydrogen 2.808 N/A ALA 245.A N LEU 241.A O no hydrogen 2.898 N/A ASP 246.A N ILE 115.A O.A no hydrogen 2.640 N/A ASP 246.A N ILE 115.A O.B no hydrogen 2.881 N/A PHE 248.A N VAL 91.A O no hydrogen 2.785 N/A LEU 249.A N ALA 117.A O no hydrogen 2.699 N/A ILE 250.A N GLU 89.A O no hydrogen 2.868 N/A VAL 256.A N THR 39.A O no hydrogen 2.901 N/A GLN 257.A NE2 GLU 333.A O no hydrogen 2.900 N/A ARG 258.A NE ASP 260.A OD1 no hydrogen 3.123 N/A ARG 258.A NH2 ASP 260.A OD2 no hydrogen 2.694 N/A MET 259.A N GLY 122.A O no hydrogen 2.991 N/A SER 262.A OG ARG 275.A O no hydrogen 2.655 N/A VAL 263.A N ARG 272.A O no hydrogen 2.897 N/A VAL 264.A N ILE 175.A O no hydrogen 2.808 N/A ARG 265.A N GLU 269.A O no hydrogen 2.691 N/A ARG 265.A NE GLU 269.A OE1 no hydrogen 2.829 N/A ARG 265.A NH1 GLU 196.A OE1 no hydrogen 3.425 N/A ARG 265.A NH2 GLU 269.A OE2 no hydrogen 3.547 N/A GLU 266.A N LEU 177.A O no hydrogen 3.272 N/A GLY 268.A N ARG 265.A O no hydrogen 2.648 N/A MET 270.A N GLN 621.A O no hydrogen 2.875 N/A LEU 271.A N VAL 263.A O no hydrogen 2.907 N/A ARG 272.A N VAL 263.A O no hydrogen 3.053 N/A ARG 273.A NH2 ASP 280.A O no hydrogen 3.429 N/A SER 274.A N SER 262.A OG no hydrogen 2.857 N/A ARG 275.A N ASP 260.A O no hydrogen 2.995 N/A ARG 275.A NE ASP 261.A OD2 no hydrogen 3.129 N/A ARG 275.A NH1 ALA 173.A O no hydrogen 3.387 N/A ARG 275.A NH2 ALA 173.A O no hydrogen 3.005 N/A ARG 275.A NH2 ASP 261.A OD2 no hydrogen 2.942 N/A TYR 277.A N SER 274.A O no hydrogen 2.948 N/A VAL 278.A N SER 274.A O no hydrogen 3.008 N/A ASP 280.A N TYR 277.A O no hydrogen 2.889 N/A LEU 282.A N VAL 313.A O no hydrogen 2.835 N/A LEU 284.A N GLU 311.A O no hydrogen 2.924 N/A PHE 288.A N PRO 285.A O no hydrogen 3.119 N/A VAL 291.A N GLY 310.A O no hydrogen 3.055 N/A VAL 294.A N VAL 308.A O no hydrogen 2.840 N/A LEU 295.A N TYR 348.A O no hydrogen 2.889 N/A CYS 296.A N CYS 306.A O no hydrogen 2.910 N/A CYS 296.A SG CYS 306.A O no hydrogen 4.041 N/A LEU 297.A N VAL 350.A O no hydrogen 2.959 N/A GLY 298.A N GLN 634.A OE1 no hydrogen 2.864 N/A LYS 302.A NZ GLU 515.A OE2 no hydrogen 2.937 N/A ASN 303.A N GLY 320.A O no hydrogen 2.838 N/A ASN 303.A ND2 LEU 297.A O no hydrogen 2.803 N/A ASN 303.A ND2 ALA 299.A O no hydrogen 2.686 N/A THR 304.A OG1 GLY 628.A O no hydrogen 2.902 N/A THR 304.A OG1 SER 631.A OG no hydrogen 3.117 N/A PHE 305.A N SER 316.A OG no hydrogen 2.914 N/A CYS 306.A N CYS 296.A O no hydrogen 2.981 N/A LEU 307.A N VAL 314.A O no hydrogen 2.847 N/A VAL 308.A N VAL 294.A O no hydrogen 2.950 N/A ARG 309.A N GLN 312.A O no hydrogen 3.068 N/A ARG 309.A NH1 TYR 342.A O no hydrogen 3.080 N/A ARG 309.A NH1 ASN 343.A O no hydrogen 2.980 N/A ARG 309.A NH2 TYR 342.A O no hydrogen 2.697 N/A GLY 310.A N VAL 291.A O no hydrogen 2.769 N/A GLN 312.A N ARG 309.A O no hydrogen 3.175 N/A VAL 313.A N LEU 282.A O no hydrogen 2.841 N/A VAL 314.A N LEU 307.A O no hydrogen 2.802 N/A SER 316.A N PHE 305.A O no hydrogen 2.795 N/A SER 316.A OG PHE 305.A O no hydrogen 3.565 N/A SER 316.A OG GLN 317.A O no hydrogen 2.875 N/A GLN 317.A N GLN 317.A OE1 no hydrogen 2.797 N/A GLN 317.A NE2 GLN 257.A OE1 no hydrogen 3.447 N/A GLN 317.A NE2 ARG 258.A O no hydrogen 2.758 N/A HIS 318.A N SER 274.A OG no hydrogen 3.116 N/A LEU 319.A N ASN 303.A O no hydrogen 2.794 N/A LEU 322.A N ASP 300.A O no hydrogen 2.707 N/A SER 323.A N ASP 321.A OD1 no hydrogen 3.200 N/A SER 323.A OG ASP 321.A OD1 no hydrogen 2.974 N/A SER 323.A OG ASP 321.A OD2 no hydrogen 3.224 N/A ASP 324.A N ASP 321.A O no hydrogen 3.208 N/A ILE 327.A N ASP 324.A O no hydrogen 3.434 N/A THR 329.A N GLY 326.A O no hydrogen 3.412 N/A TRP 331.A N ILE 327.A O no hydrogen 3.088 N/A TRP 331.A NE1 ASN 303.A OD1 no hydrogen 3.091 N/A ARG 332.A N GLN 328.A O no hydrogen 2.739 N/A GLU 333.A N THR 329.A O no hydrogen 3.017 N/A ALA 334.A N GLN 330.A O no hydrogen 3.029 N/A LEU 335.A N TRP 331.A O no hydrogen 2.932 N/A ARG 336.A N ARG 332.A O no hydrogen 2.839 N/A ARG 336.A NE GLU 333.A OE1 no hydrogen 3.142 N/A ARG 336.A NH1 ARG 42.A O no hydrogen 3.008 N/A ARG 336.A NH2 ARG 42.A O no hydrogen 2.744 N/A LEU 337.A N GLU 333.A O no hydrogen 3.207 N/A MET 338.A N ALA 334.A O no hydrogen 3.090 N/A GLN 339.A N LEU 335.A O no hydrogen 2.862 N/A ASN 340.A N ARG 336.A O no hydrogen 2.894 N/A ILE 341.A N LEU 337.A O no hydrogen 2.692 N/A TYR 342.A N MET 338.A O no hydrogen 3.117 N/A TYR 342.A OH PRO 279.A O no hydrogen 2.426 N/A ASN 343.A N ASN 340.A O no hydrogen 3.239 N/A PHE 344.A N GLN 339.A O no hydrogen 2.903 N/A GLN 347.A N PRO 293.A O no hydrogen 2.857 N/A TYR 348.A N PRO 293.A O no hydrogen 3.357 N/A VAL 349.A N PRO 369.A O no hydrogen 2.918 N/A VAL 350.A N LEU 295.A O no hydrogen 2.906 N/A HIS 351.A N GLN 371.A O no hydrogen 2.960 N/A ALA 353.A N VAL 373.A O no hydrogen 3.094 N/A HIS 354.A N ASP 352.A OD2 no hydrogen 3.000 N/A GLY 356.A N HIS 354.A ND1 no hydrogen 3.061 N/A TYR 357.A N HIS 354.A O no hydrogen 3.449 N/A VAL 358.A N ASP 300.A OD2 no hydrogen 2.797 N/A SER 359.A N ASP 300.A OD1 no hydrogen 3.114 N/A SER 359.A OG ASP 300.A OD1 no hydrogen 3.429 N/A CYS 360.A SG PRO 355.A O no hydrogen 3.787 N/A GLN 361.A N TYR 357.A O no hydrogen 3.286 N/A GLN 361.A NE2 GLU 365.A OE2 no hydrogen 2.814 N/A TRP 362.A N VAL 358.A O no hydrogen 2.855 N/A ALA 363.A N SER 359.A O no hydrogen 3.007 N/A SER 364.A N CYS 360.A O no hydrogen 3.419 N/A SER 364.A N GLN 361.A O no hydrogen 3.212 N/A SER 364.A OG GLN 361.A O no hydrogen 2.743 N/A GLU 365.A N TRP 362.A O no hydrogen 3.156 N/A MET 366.A N ALA 363.A O no hydrogen 3.357 N/A GLN 371.A N VAL 349.A O no hydrogen 2.942 N/A VAL 373.A N HIS 351.A O no hydrogen 3.176 N/A HIS 375.A ND1 ASP 352.A OD1 no hydrogen 2.703 N/A HIS 375.A NE2 ASP 627.A OD1 no hydrogen 3.068 N/A HIS 376.A NE2 ASP 402.A OD2 no hydrogen 2.887 N/A HIS 377.A NE2 ASN 421.A O no hydrogen 2.787 N/A ALA 378.A N LEU 374.A O no hydrogen 3.070 N/A HIS 379.A N HIS 375.A O no hydrogen 3.089 N/A ALA 380.A N HIS 376.A O no hydrogen 3.165 N/A ALA 381.A N HIS 377.A O no hydrogen 2.978 N/A ALA 382.A N ALA 378.A O no hydrogen 2.975 N/A CYS 383.A N HIS 379.A O no hydrogen 3.294 N/A CYS 383.A SG PHE 594.A O no hydrogen 3.701 N/A CYS 383.A SG LEU 618.A O no hydrogen 3.372 N/A LEU 384.A N ALA 380.A O no hydrogen 2.962 N/A ALA 385.A N ALA 381.A O no hydrogen 2.889 N/A GLU 386.A N ALA 382.A O no hydrogen 3.008 N/A HIS 387.A N CYS 383.A O no hydrogen 3.136 N/A HIS 387.A NE2 PHE 619.A O no hydrogen 2.558 N/A GLN 388.A N ALA 385.A O no hydrogen 2.934 N/A GLN 388.A NE2 ALA 283.A O no hydrogen 3.552 N/A GLN 388.A NE2 ALA 385.A O no hydrogen 3.485 N/A TRP 389.A N LEU 384.A O no hydrogen 3.050 N/A TRP 389.A NE1 GLY 394.A O no hydrogen 3.013 N/A LEU 391.A N PRO 286.A O no hydrogen 2.959 N/A GLY 393.A N PRO 390.A O no hydrogen 2.789 N/A VAL 396.A N VAL 420.A O no hydrogen 2.950 N/A ILE 397.A N THR 591.A O no hydrogen 3.428 N/A ALA 398.A N LEU 418.A O no hydrogen 2.796 N/A LEU 399.A N VAL 593.A O no hydrogen 2.873 N/A THR 400.A N GLU 416.A O no hydrogen 3.064 N/A LEU 401.A N SER 595.A O no hydrogen 2.913 N/A ASP 402.A N GLY 414.A O no hydrogen 3.027 N/A GLY 405.A N TRP 413.A O no hydrogen 3.000 N/A GLY 407.A N ALA 411.A O no hydrogen 2.624 N/A ALA 411.A N GLU 408.A O no hydrogen 3.158 N/A TRP 413.A N GLY 405.A O no hydrogen 2.811 N/A GLY 414.A N GLU 416.A OE2 no hydrogen 2.902 N/A GLY 415.A N GLU 416.A OE2 no hydrogen 2.997 N/A GLU 416.A N THR 400.A O no hydrogen 3.107 N/A CYS 417.A N.A GLY 429.A O no hydrogen 2.726 N/A CYS 417.A N.B GLY 429.A O no hydrogen 2.743 N/A CYS 417.A SG.B GLY 429.A O no hydrogen 3.982 N/A LEU 418.A N ALA 398.A O no hydrogen 2.801 N/A ARG 419.A N GLU 426.A O no hydrogen 2.862 N/A ARG 419.A NE GLU 426.A OE1 no hydrogen 2.845 N/A ARG 419.A NH1 ASP 395.A OD2 no hydrogen 2.611 N/A ARG 419.A NH1 GLU 424.A OE1 no hydrogen 3.174 N/A ARG 419.A NH2 GLU 424.A OE2 no hydrogen 2.901 N/A ARG 419.A NH2 GLU 426.A OE1 no hydrogen 3.316 N/A VAL 420.A N VAL 396.A O no hydrogen 2.918 N/A ASN 421.A N GLU 424.A O no hydrogen 2.975 N/A ASN 421.A ND2 ASP 395.A OD1 no hydrogen 2.688 N/A ASN 421.A ND2 GLU 424.A OE1 no hydrogen 2.739 N/A TYR 422.A OH TRP 389.A O no hydrogen 2.533 N/A ARG 423.A N ASN 421.A OD1 no hydrogen 2.931 N/A ARG 423.A NE GLU 646.A OE2 no hydrogen 2.518 N/A ARG 423.A NH2 GLU 646.A OE2 no hydrogen 2.754 N/A GLU 424.A N ASN 421.A OD1 no hydrogen 2.849 N/A GLU 426.A N ARG 419.A O no hydrogen 2.862 N/A HIS 427.A NE2 GLU 416.A OE1 no hydrogen 2.660 N/A LEU 428.A N CYS 417.A O.A no hydrogen 2.701 N/A LEU 428.A N CYS 417.A O.B no hydrogen 2.807 N/A GLY 429.A N CYS 417.A O.A no hydrogen 3.277 N/A GLY 429.A N CYS 417.A O.B no hydrogen 3.362 N/A GLY 430.A N ASN 543.A O no hydrogen 2.953 N/A LEU 431.A N GLY 415.A O no hydrogen 2.795 N/A VAL 434.A N ALA 491.A O no hydrogen 2.817 N/A LEU 436.A N PRO 489.A O no hydrogen 2.771 N/A GLY 438.A N ASN 487.A O no hydrogen 2.817 N/A GLY 439.A N LEU 436.A O no hydrogen 2.995 N/A LEU 441.A N GLY 438.A O no hydrogen 2.986 N/A ALA 442.A N GLY 439.A O no hydrogen 3.061 N/A LYS 444.A N LEU 441.A O no hydrogen 3.025 N/A GLN 445.A N LEU 441.A O no hydrogen 3.171 N/A GLN 445.A NE2 THR 511.A OG1 no hydrogen 2.895 N/A ARG 448.A N GLN 445.A O no hydrogen 3.044 N/A ARG 448.A NE GLN 445.A OE1 no hydrogen 2.787 N/A ARG 448.A NH1 PRO 437.A O no hydrogen 2.914 N/A ARG 448.A NH2 GLN 445.A OE1 no hydrogen 3.063 N/A ASN 449.A N PRO 446.A O no hydrogen 3.010 N/A ASN 449.A ND2 ALA 442.A O no hydrogen 2.812 N/A ASN 449.A ND2 PRO 446.A O no hydrogen 3.608 N/A LEU 450.A N PRO 446.A O no hydrogen 3.231 N/A LEU 451.A N TRP 447.A O no hydrogen 2.888 N/A ALA 452.A N ARG 448.A O no hydrogen 2.953 N/A GLN 453.A N ASN 449.A O no hydrogen 2.987 N/A CYS 454.A N LEU 450.A O no hydrogen 2.878 N/A CYS 454.A SG LEU 450.A O no hydrogen 3.322 N/A LEU 455.A N LEU 451.A O no hydrogen 2.918 N/A ARG 456.A N ALA 452.A O no hydrogen 3.423 N/A ARG 456.A NH1 ALA 433.A O no hydrogen 2.870 N/A PHE 457.A N GLN 453.A O no hydrogen 2.843 N/A VAL 458.A N CYS 454.A O no hydrogen 2.939 N/A ASN 463.A N GLU 460.A O.A no hydrogen 3.095 N/A ASN 463.A N GLU 460.A O.B no hydrogen 3.210 N/A TYR 464.A N TRP 461.A O no hydrogen 3.317 N/A GLU 466.A N GLU 466.A OE1 no hydrogen 2.712 N/A THR 467.A N TYR 464.A O no hydrogen 3.219 N/A THR 467.A OG1 TRP 461.A O no hydrogen 2.645 N/A THR 467.A OG1 TYR 464.A O no hydrogen 3.061 N/A ALA 468.A N PRO 465.A O no hydrogen 3.267 N/A ALA 471.A N THR 467.A O no hydrogen 2.846 N/A ALA 472.A N ALA 468.A O no hydrogen 3.042 N/A ALA 472.A N SER 469.A O no hydrogen 3.165 N/A ALA 473.A N SER 469.A O no hydrogen 3.228 N/A SER 476.A OG ASN 474.A OD1 no hydrogen 3.213 N/A VAL 477.A N ASN 474.A O no hydrogen 3.443 N/A ALA 479.A N TRP 475.A O no hydrogen 2.848 N/A ARG 480.A N SER 476.A O no hydrogen 3.029 N/A ALA 481.A N VAL 477.A O no hydrogen 3.060 N/A ILE 482.A N LEU 478.A O no hydrogen 2.803 N/A GLU 483.A N ALA 479.A O no hydrogen 3.044 N/A ARG 484.A N ARG 480.A O no hydrogen 3.109 N/A GLY 485.A N ILE 482.A O no hydrogen 3.156 N/A ILE 486.A N ALA 481.A O no hydrogen 2.974 N/A ALA 491.A N VAL 434.A O no hydrogen 2.884 N/A SER 492.A N LEU 412.A O no hydrogen 3.181 N/A SER 492.A OG LEU 412.A O no hydrogen 3.551 N/A SER 492.A OG GLU 416.A OE2 no hydrogen 2.550 N/A SER 493.A OG GLY 403.A O no hydrogen 2.647 N/A CYS 494.A N GLY 414.A O no hydrogen 2.967 N/A GLY 495.A N ASP 402.A O no hydrogen 3.031 N/A ARG 496.A N SER 493.A OG no hydrogen 2.960 N/A ARG 496.A NE ASP 499.A OD2 no hydrogen 2.831 N/A ARG 496.A NH1 ASP 499.A OD2 no hydrogen 3.246 N/A LEU 497.A N SER 493.A O no hydrogen 3.245 N/A PHE 498.A N CYS 494.A O no hydrogen 3.158 N/A ASP 499.A N GLY 495.A O no hydrogen 3.115 N/A ALA 500.A N ARG 496.A O no hydrogen 2.960 N/A VAL 501.A N LEU 497.A O no hydrogen 3.020 N/A ALA 502.A N PHE 498.A O no hydrogen 2.849 N/A ALA 503.A N ASP 499.A O no hydrogen 2.821 N/A ALA 504.A N ALA 500.A O no hydrogen 3.043 N/A LEU 505.A N VAL 501.A O no hydrogen 2.988 N/A GLY 506.A N ALA 503.A O no hydrogen 3.140 N/A CYS 507.A N ALA 502.A O no hydrogen 3.350 N/A CYS 507.A SG ALA 502.A O no hydrogen 3.951 N/A LEU 512.A N LYS 444.A O no hydrogen 2.860 N/A SER 513.A N GLU 517.A OE2 no hydrogen 2.861 N/A SER 513.A OG GLU 517.A OE2 no hydrogen 3.328 N/A GLU 517.A N TYR 514.A O no hydrogen 3.204 N/A CYS 520.A N GLY 516.A O no hydrogen 2.999 N/A CYS 520.A SG GLY 516.A O no hydrogen 3.349 N/A ALA 521.A N GLU 517.A O no hydrogen 3.081 N/A LEU 522.A N ALA 518.A O no hydrogen 2.927 N/A GLU 523.A N ALA 519.A O no hydrogen 2.933 N/A ALA 524.A N CYS 520.A O no hydrogen 2.998 N/A LEU 525.A N ALA 521.A O no hydrogen 3.016 N/A ALA 526.A N LEU 522.A O no hydrogen 2.964 N/A ALA 527.A N GLU 523.A O no hydrogen 2.981 N/A SER 528.A N LEU 525.A O no hydrogen 3.173 N/A SER 528.A OG LEU 525.A O no hydrogen 2.599 N/A CYS 529.A N ALA 526.A O no hydrogen 2.929 N/A THR 537.A N GLN 553.A OE1 no hydrogen 2.823 N/A THR 537.A OG1 GLN 553.A OE1 no hydrogen 2.761 N/A VAL 541.A N GLN 544.A O no hydrogen 2.762 N/A GLN 544.A N VAL 541.A O no hydrogen 3.355 N/A LEU 545.A N GLY 430.A O no hydrogen 3.269 N/A ASP 546.A N PRO 539.A O no hydrogen 2.708 N/A THR 549.A N ASP 546.A OD1 no hydrogen 3.342 N/A THR 549.A OG1 ASP 546.A OD2 no hydrogen 2.425 N/A PHE 550.A N ASP 546.A O no hydrogen 3.339 N/A TRP 551.A N LEU 547.A O no hydrogen 2.836 N/A TRP 551.A NE1 GLN 453.A OE1 no hydrogen 2.834 N/A GLN 552.A N ALA 548.A O no hydrogen 3.050 N/A GLN 553.A N THR 549.A O no hydrogen 2.914 N/A TRP 554.A N PHE 550.A O no hydrogen 2.718 N/A TRP 554.A NE1 ARG 564.A O no hydrogen 2.846 N/A LEU 555.A N TRP 551.A O no hydrogen 2.830 N/A ASN 556.A ND2 TYR 464.A OH no hydrogen 3.295 N/A ASN 556.A ND2 GLN 552.A O no hydrogen 2.870 N/A TRP 557.A N TRP 554.A O no hydrogen 3.266 N/A ASN 562.A ND2 SER 528.A OG no hydrogen 3.383 N/A GLN 563.A N PRO 560.A O no hydrogen 3.003 N/A ARG 564.A N PRO 560.A O no hydrogen 3.075 N/A ARG 564.A NH1 GLU 466.A OE2 no hydrogen 3.102 N/A ARG 564.A NH2 GLU 466.A OE2 no hydrogen 3.071 N/A ARG 564.A NH2 TRP 554.A O no hydrogen 3.086 N/A ALA 565.A N VAL 561.A O no hydrogen 2.885 N/A TRP 566.A N ASN 562.A O no hydrogen 2.885 N/A ALA 567.A N GLN 563.A O no hydrogen 2.924 N/A PHE 568.A N ARG 564.A O no hydrogen 3.236 N/A HIS 569.A N ALA 565.A O no hydrogen 3.277 N/A HIS 569.A ND1 ALA 565.A O no hydrogen 3.003 N/A ASP 570.A N TRP 566.A O no hydrogen 2.962 N/A ALA 571.A N ALA 567.A O no hydrogen 2.947 N/A LEU 572.A N PHE 568.A O no hydrogen 3.031 N/A ALA 573.A N HIS 569.A O no hydrogen 3.056 N/A GLN 574.A N ASP 570.A O no hydrogen 2.858 N/A GLY 575.A N ALA 571.A O no hydrogen 2.922 N/A PHE 576.A N LEU 572.A O no hydrogen 2.910 N/A ALA 577.A N ALA 573.A O no hydrogen 2.886 N/A ALA 578.A N GLN 574.A O no hydrogen 3.002 N/A LEU 579.A N GLY 575.A O no hydrogen 3.234 N/A MET 580.A N PHE 576.A O no hydrogen 2.960 N/A ARG 581.A N ALA 577.A O no hydrogen 2.803 N/A ARG 581.A NE ASP 614.A OD2 no hydrogen 2.920 N/A ARG 581.A NH2 TYR 611.A O no hydrogen 2.788 N/A ARG 581.A NH2 ASP 614.A OD1 no hydrogen 2.674 N/A ARG 581.A NH2 ASP 614.A OD2 no hydrogen 3.108 N/A GLU 582.A N ALA 578.A O no hydrogen 3.233 N/A GLN 583.A N LEU 579.A O no hydrogen 3.074 N/A ALA 584.A N MET 580.A O no hydrogen 2.831 N/A THR 585.A N ARG 581.A O no hydrogen 2.940 N/A THR 585.A OG1 ARG 581.A O no hydrogen 2.696 N/A MET 586.A N GLU 582.A O no hydrogen 3.277 N/A ARG 587.A N ALA 584.A O no hydrogen 3.068 N/A ARG 587.A NH2 GLN 583.A O no hydrogen 3.228 N/A ARG 587.A NH2 GLN 583.A OE1 no hydrogen 2.180 N/A GLY 588.A N THR 585.A O no hydrogen 3.076 N/A ILE 589.A N ALA 584.A O no hydrogen 2.811 N/A LEU 592.A N THR 616.A O no hydrogen 2.845 N/A VAL 593.A N ILE 397.A O no hydrogen 2.828 N/A PHE 594.A N LEU 618.A O no hydrogen 3.031 N/A SER 595.A N LEU 399.A O no hydrogen 2.966 N/A SER 595.A OG HIS 379.A O no hydrogen 3.003 N/A GLY 596.A N ALA 625.A O no hydrogen 3.076 N/A VAL 598.A N LEU 401.A O no hydrogen 3.021 N/A ILE 599.A N GLY 596.A O no hydrogen 3.101 N/A HIS 600.A N GLY 597.A O no hydrogen 3.064 N/A ASN 601.A N VAL 598.A O no hydrogen 2.794 N/A ASN 601.A ND2 HIS 569.A NE2 no hydrogen 3.096 N/A ARG 602.A N GLU 523.A OE2 no hydrogen 2.872 N/A LEU 604.A N ASN 601.A OD1 no hydrogen 2.999 N/A ARG 605.A N ASN 601.A O no hydrogen 3.055 N/A ARG 605.A NE ILE 599.A O no hydrogen 3.105 N/A ALA 606.A N ARG 602.A O no hydrogen 3.004 N/A ARG 607.A N LEU 603.A O no hydrogen 2.802 N/A ARG 607.A NH1 ASP 570.A OD1 no hydrogen 2.829 N/A LEU 608.A N LEU 604.A O no hydrogen 2.824 N/A ALA 609.A N ARG 605.A O no hydrogen 2.906 N/A HIS 610.A N ALA 606.A O no hydrogen 2.974 N/A TYR 611.A N ARG 607.A O no hydrogen 3.079 N/A TYR 611.A OH ASP 570.A OD1 no hydrogen 2.614 N/A TYR 611.A OH ASP 570.A OD2 no hydrogen 3.203 N/A ASP 614.A N ASP 614.A OD1 no hydrogen 2.659 N/A PHE 615.A N LEU 612.A O no hydrogen 3.129 N/A THR 616.A N THR 590.A O no hydrogen 2.986 N/A LEU 618.A N LEU 592.A O no hydrogen 2.850 N/A GLN 621.A N GLU 386.A OE1 no hydrogen 3.010 N/A GLN 621.A N GLU 386.A OE2 no hydrogen 3.026 N/A GLN 621.A NE2 SER 267.A O no hydrogen 3.282 N/A SER 622.A N GLU 386.A OE1 no hydrogen 3.123 N/A ALA 625.A N HIS 600.A NE2 no hydrogen 3.281 N/A GLY 629.A N GLY 626.A O no hydrogen 3.063 N/A LEU 630.A N ASP 627.A O no hydrogen 3.177 N/A SER 631.A OG THR 304.A O no hydrogen 3.371 N/A SER 631.A OG THR 304.A OG1 no hydrogen 3.117 N/A GLN 634.A N LEU 630.A O no hydrogen 3.086 N/A GLN 634.A NE2 GLY 298.A O no hydrogen 3.185 N/A GLY 635.A N SER 631.A O no hydrogen 2.939 N/A VAL 636.A N LEU 632.A O no hydrogen 2.895 N/A ILE 637.A N GLY 633.A O no hydrogen 3.057 N/A ALA 638.A N GLN 634.A O no hydrogen 2.898 N/A ALA 639.A N GLY 635.A O no hydrogen 2.929 N/A ALA 640.A N VAL 636.A O no hydrogen 2.947 N/A ARG 641.A N ILE 637.A O no hydrogen 3.018 N/A ARG 641.A NH1 GLN 371.A OE1 no hydrogen 3.066 N/A ARG 641.A NH1 THR 372.A O no hydrogen 3.022 N/A TRP 642.A N ALA 638.A O no hydrogen 3.029 N/A LEU 643.A N ALA 639.A O no hydrogen 2.897 N/A ALA 644.A N ALA 640.A O no hydrogen 3.087 N/A GLY 645.A N TRP 642.A O no hydrogen 2.877 N/A GLU 646.A N ARG 641.A O no hydrogen 3.006 N/A