Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3va6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A OH ASP 232.A OD2 no hydrogen 2.513 N/A PHE 4.A N GLN 266.A O no hydrogen 2.913 N/A ASP 5.A N LEU 294.A O no hydrogen 3.010 N/A ASN 6.A ND2 ILE 265.A O no hydrogen 2.907 N/A ASN 6.A ND2 SER 267.A O no hydrogen 3.108 N/A ILE 7.A N ILE 292.A O no hydrogen 2.935 N/A TYR 8.A OH THR 269.A OG1 no hydrogen 2.725 N/A SER 14.A OG ASP 289.A O no hydrogen 3.524 N/A VAL 15.A N ASN 32.A OD1 no hydrogen 2.780 N/A VAL 16.A N THR 288.A O no hydrogen 3.089 N/A SER 17.A N GLY 30.A O no hydrogen 2.944 N/A SER 17.A OG GLY 30.A O no hydrogen 3.557 N/A SER 17.A OG ILE 57.A O no hydrogen 2.319 N/A LEU 20.A N TRP 28.A O no hydrogen 2.933 N/A GLN 21.A NE2 GLY 25.A O no hydrogen 2.725 N/A ASP 22.A N LEU 26.A O no hydrogen 3.065 N/A SER 23.A OG ASN 65.A OD1 no hydrogen 2.643 N/A GLU 24.A N ASP 22.A OD1 no hydrogen 2.875 N/A GLY 25.A N ASP 22.A O no hydrogen 2.883 N/A LEU 26.A N ASP 22.A OD1 no hydrogen 3.125 N/A ILE 27.A N TYR 672.A OH no hydrogen 3.110 N/A TRP 28.A N LEU 20.A O no hydrogen 2.692 N/A TRP 28.A NE1 ASP 22.A OD2 no hydrogen 3.065 N/A ILE 29.A N PHE 36.A O no hydrogen 2.906 N/A GLY 30.A N CYS 18.A O no hydrogen 2.885 N/A SER 31.A N GLY 34.A O no hydrogen 2.948 N/A SER 31.A OG GLY 34.A O no hydrogen 2.723 N/A ASN 32.A N VAL 15.A O no hydrogen 2.925 N/A ASN 32.A ND2 GLU 12.A O no hydrogen 3.062 N/A LYS 33.A N SER 31.A OG no hydrogen 3.130 N/A GLY 34.A N SER 31.A O no hydrogen 3.011 N/A PHE 36.A N ILE 29.A O no hydrogen 2.950 N/A SER 37.A N GLN 44.A O no hydrogen 2.849 N/A SER 37.A OG HIS 46.A NE2 no hydrogen 2.571 N/A TYR 38.A N ILE 27.A O no hydrogen 3.207 N/A ASP 39.A N SER 42.A O no hydrogen 3.240 N/A TYR 41.A N ASP 39.A OD1 no hydrogen 2.716 N/A SER 42.A N ASP 39.A OD1 no hydrogen 3.000 N/A SER 42.A OG GLU 666.A OE1 no hydrogen 3.460 N/A GLN 44.A N SER 37.A O no hydrogen 2.906 N/A HIS 46.A N LEU 35.A O no hydrogen 2.878 N/A HIS 46.A NE2 SER 37.A OG no hydrogen 2.571 N/A THR 48.A N ASN 53.A OD1 no hydrogen 3.189 N/A GLY 50.A N ASN 54.A OD1 no hydrogen 3.149 N/A GLU 51.A N THR 48.A O no hydrogen 3.196 N/A ASN 53.A ND2 GLU 51.A OE1 no hydrogen 2.901 N/A ASN 54.A N GLU 51.A O no hydrogen 2.828 N/A ASN 54.A ND2 LYS 33.A O no hydrogen 2.760 N/A ILE 57.A N SER 31.A O no hydrogen 3.195 N/A TYR 58.A N GLY 71.A O no hydrogen 2.882 N/A TYR 58.A OH ASP 73.A OD1 no hydrogen 2.580 N/A VAL 61.A N TYR 69.A O no hydrogen 3.174 N/A ILE 63.A N TYR 67.A O no hydrogen 2.824 N/A THR 66.A N ILE 63.A O no hydrogen 3.135 N/A THR 66.A OG1 ASN 80.A OD1 no hydrogen 2.736 N/A TYR 67.A N ILE 63.A O no hydrogen 2.971 N/A LEU 68.A N TYR 79.A O no hydrogen 2.732 N/A TYR 69.A N VAL 61.A O no hydrogen 2.989 N/A MET 70.A N LEU 77.A O no hydrogen 2.788 N/A GLY 71.A N CYS 59.A O no hydrogen 3.003 N/A THR 72.A OG1 ARG 56.A O no hydrogen 3.509 N/A GLY 75.A N THR 72.A O no hydrogen 3.181 N/A LEU 77.A N MET 70.A O no hydrogen 3.161 N/A VAL 78.A N GLN 88.A OE1 no hydrogen 3.046 N/A TYR 79.A N LEU 68.A O no hydrogen 2.810 N/A TYR 79.A OH ASP 84.A OD1 no hydrogen 2.426 N/A ASN 80.A N ARG 85.A O no hydrogen 2.710 N/A ASN 80.A ND2 GLU 87.A OE1 no hydrogen 3.168 N/A ASN 80.A ND2 GLU 87.A OE2 no hydrogen 3.192 N/A TYR 81.A N THR 66.A O no hydrogen 3.027 N/A ARG 82.A N ASN 80.A OD1 no hydrogen 3.068 N/A ARG 82.A NH1 ASN 65.A O no hydrogen 2.526 N/A ALA 83.A N ASN 80.A OD1 no hydrogen 2.908 N/A ARG 85.A N ASN 80.A O no hydrogen 3.213 N/A ARG 85.A NH1 PRO 639.A O no hydrogen 3.063 N/A TYR 86.A OH HIS 46.A O no hydrogen 2.834 N/A GLU 87.A N VAL 78.A O no hydrogen 2.997 N/A GLN 88.A NE2 ILE 76.A O no hydrogen 3.023 N/A THR 91.A OG1 TYR 118.A OH no hydrogen 2.744 N/A THR 95.A OG1 ASP 96.A OD2 no hydrogen 2.673 N/A ASP 96.A N ASP 73.A O no hydrogen 2.851 N/A VAL 97.A N THR 72.A O no hydrogen 3.144 N/A ARG 98.A N GLY 110.A O no hydrogen 2.827 N/A THR 99.A N GLY 110.A O no hydrogen 3.163 N/A ALA 101.A N TRP 108.A O no hydrogen 3.129 N/A GLN 103.A N THR 106.A O no hydrogen 2.878 N/A GLN 103.A NE2 ASN 149.A OD1 no hydrogen 2.880 N/A THR 106.A N GLN 103.A O no hydrogen 2.949 N/A LEU 107.A N TYR 118.A O no hydrogen 2.854 N/A TRP 108.A N ALA 101.A O no hydrogen 2.810 N/A TRP 108.A NE1 GLN 103.A OE1 no hydrogen 2.738 N/A LEU 109.A N TYR 116.A O no hydrogen 2.878 N/A GLY 110.A N THR 99.A O no hydrogen 2.792 N/A ALA 111.A N GLY 114.A O no hydrogen 3.032 N/A LEU 112.A N ASP 96.A O no hydrogen 2.882 N/A ASN 113.A ND2 LEU 112.A O no hydrogen 3.598 N/A TYR 116.A N LEU 109.A O no hydrogen 2.848 N/A THR 117.A N THR 126.A O no hydrogen 2.910 N/A TYR 118.A N LEU 107.A O no hydrogen 2.821 N/A TYR 118.A OH THR 91.A OG1 no hydrogen 2.744 N/A GLN 119.A N LYS 124.A O no hydrogen 3.075 N/A GLN 119.A NE2 ASP 105.A OD2 no hydrogen 3.529 N/A LEU 120.A N ASP 105.A O no hydrogen 3.141 N/A GLN 121.A N GLN 119.A OE1 no hydrogen 3.086 N/A SER 122.A N GLN 119.A OE1 no hydrogen 2.895 N/A SER 122.A OG GLN 119.A OE1 no hydrogen 3.465 N/A ARG 123.A N GLN 119.A O no hydrogen 2.630 N/A LYS 124.A N SER 122.A OG no hydrogen 3.222 N/A THR 126.A N THR 117.A O no hydrogen 3.003 N/A PHE 128.A N LEU 115.A O no hydrogen 3.027 N/A ASP 129.A N ASN 133.A OD1 no hydrogen 3.431 N/A THR 130.A OG1 LEU 135.A O no hydrogen 2.998 N/A ARG 132.A N ASP 129.A OD1 no hydrogen 2.883 N/A ASN 133.A ND2 GLY 167.A O no hydrogen 2.900 N/A GLY 134.A N THR 130.A O no hydrogen 2.988 N/A LEU 135.A N ASP 129.A O no hydrogen 3.410 N/A THR 139.A N ASN 137.A OD1 no hydrogen 3.215 N/A THR 139.A OG1 LEU 112.A O no hydrogen 2.514 N/A ILE 140.A N ALA 111.A O no hydrogen 2.912 N/A TYR 141.A N GLY 154.A O no hydrogen 2.819 N/A SER 142.A N GLY 154.A O no hydrogen 3.006 N/A SER 142.A OG VAL 185.A O no hydrogen 3.396 N/A ILE 143.A N THR 99.A OG1 no hydrogen 3.278 N/A ILE 144.A N TYR 152.A O no hydrogen 2.964 N/A ARG 145.A NE ASN 149.A OD1 no hydrogen 3.052 N/A ARG 145.A NH2 ASN 149.A OD1 no hydrogen 3.264 N/A THR 146.A N GLN 150.A O no hydrogen 2.761 N/A THR 146.A OG1 ASP 148.A OD1 no hydrogen 2.368 N/A THR 146.A OG1 GLN 150.A O no hydrogen 3.151 N/A LYS 147.A N GLU 190.A OE2 no hydrogen 2.992 N/A ASN 149.A N THR 146.A O no hydrogen 2.667 N/A GLN 150.A N THR 146.A OG1 no hydrogen 3.249 N/A GLN 150.A NE2 ASP 148.A OD2 no hydrogen 3.137 N/A TYR 152.A N ILE 144.A O no hydrogen 2.765 N/A VAL 153.A N CYS 160.A O no hydrogen 2.920 N/A GLY 154.A N SER 142.A O no hydrogen 2.638 N/A THR 155.A N GLY 158.A O no hydrogen 2.882 N/A THR 155.A OG1 GLY 158.A O no hydrogen 2.719 N/A TYR 156.A N THR 139.A O no hydrogen 2.937 N/A ASN 157.A N THR 155.A OG1 no hydrogen 3.024 N/A GLY 158.A N LEU 183.A O no hydrogen 2.831 N/A CYS 160.A N VAL 153.A O no hydrogen 2.868 N/A CYS 160.A SG VAL 153.A O no hydrogen 3.703 N/A ARG 161.A N GLU 170.A O no hydrogen 2.736 N/A ARG 161.A NH1 TYR 152.A OH no hydrogen 3.412 N/A ARG 161.A NH2 GLU 170.A OE1 no hydrogen 3.123 N/A TYR 162.A N ILE 151.A O no hydrogen 3.229 N/A ILE 163.A N LYS 168.A O no hydrogen 2.733 N/A ASN 166.A N ILE 163.A O no hydrogen 3.154 N/A LYS 168.A N ASN 166.A OD1 no hydrogen 3.068 N/A PHE 169.A N ASN 133.A O no hydrogen 3.132 N/A GLU 170.A N ARG 161.A O no hydrogen 2.626 N/A ILE 172.A N LEU 159.A O no hydrogen 3.010 N/A LEU 174.A N ILE 172.A O no hydrogen 2.695 N/A GLN 180.A N HIS 177.A O no hydrogen 3.201 N/A ASN 182.A ND2 TYR 156.A O no hydrogen 3.153 N/A LEU 183.A N ASN 157.A OD1 no hydrogen 3.189 N/A VAL 185.A N THR 155.A O no hydrogen 3.052 N/A ASN 186.A N GLY 200.A O no hydrogen 2.900 N/A ASN 186.A ND2 GLU 202.A OE2 no hydrogen 2.933 N/A ASN 186.A ND2 ILE 226.A O no hydrogen 2.938 N/A SER 187.A N GLY 200.A O no hydrogen 3.472 N/A LEU 189.A N TRP 198.A O no hydrogen 3.025 N/A ASP 191.A N CYS 196.A O no hydrogen 2.925 N/A ARG 194.A N ASP 191.A OD1 no hydrogen 2.933 N/A ARG 194.A NH1 ASP 191.A OD2 no hydrogen 2.589 N/A ARG 194.A NH1 GLY 235.A O no hydrogen 3.039 N/A ARG 194.A NH2 GLY 235.A O no hydrogen 3.149 N/A ARG 194.A NH2 HIS 249.A O no hydrogen 3.235 N/A CYS 196.A N ASP 191.A O no hydrogen 3.026 N/A CYS 196.A SG GLN 207.A OE1 no hydrogen 3.780 N/A VAL 197.A N TYR 208.A O no hydrogen 2.642 N/A TRP 198.A N LEU 189.A O no hydrogen 2.710 N/A TRP 198.A NE1 ASP 191.A OD2 no hydrogen 3.037 N/A ILE 199.A N PHE 206.A O no hydrogen 2.866 N/A GLY 200.A N SER 187.A O no hydrogen 2.999 N/A THR 201.A N TYR 204.A O no hydrogen 3.140 N/A THR 201.A OG1 GLU 202.A O no hydrogen 3.400 N/A THR 201.A OG1 TYR 204.A O no hydrogen 2.853 N/A GLY 203.A N ASN 224.A O no hydrogen 2.909 N/A LEU 205.A N GLU 219.A O no hydrogen 3.091 N/A PHE 206.A N ILE 199.A O no hydrogen 2.876 N/A GLN 207.A N LYS 216.A O no hydrogen 2.714 N/A GLN 207.A NE2 THR 218.A OG1 no hydrogen 2.523 N/A TYR 208.A N VAL 197.A O no hydrogen 2.836 N/A PHE 209.A N GLN 214.A O no hydrogen 2.911 N/A THR 212.A N PHE 209.A O no hydrogen 3.428 N/A GLY 213.A N PHE 209.A O no hydrogen 2.883 N/A LYS 216.A N GLN 207.A O no hydrogen 2.677 N/A LYS 216.A NZ ASP 251.A OD1 no hydrogen 3.090 N/A LYS 216.A NZ ASP 251.A OD2 no hydrogen 3.175 N/A THR 218.A N LEU 205.A O no hydrogen 2.879 N/A GLU 219.A N LEU 205.A O no hydrogen 3.293 N/A PHE 221.A N GLY 203.A O no hydrogen 2.823 N/A ASN 224.A N PHE 221.A O no hydrogen 3.124 N/A ASN 224.A ND2 ASN 223.A O no hydrogen 3.320 N/A SER 225.A N ASP 242.A OD1 no hydrogen 2.836 N/A SER 225.A OG GLU 202.A OE2 no hydrogen 2.599 N/A ILE 226.A N THR 201.A O no hydrogen 2.973 N/A LYS 227.A N GLY 240.A O no hydrogen 2.719 N/A LYS 227.A NZ SER 225.A OG no hydrogen 2.645 N/A SER 228.A N GLY 240.A O no hydrogen 3.179 N/A SER 228.A OG ILE 273.A O no hydrogen 2.916 N/A ALA 230.A N LEU 238.A O no hydrogen 2.986 N/A ASP 232.A N ASP 236.A O no hydrogen 2.928 N/A ASN 234.A N ASP 232.A OD1 no hydrogen 2.780 N/A GLY 235.A N ASP 232.A O no hydrogen 2.747 N/A ASP 236.A N ASP 232.A OD1 no hydrogen 3.041 N/A LEU 237.A N TYR 248.A O no hydrogen 3.004 N/A LEU 238.A N ALA 230.A O no hydrogen 2.728 N/A ALA 239.A N TYR 246.A O no hydrogen 2.841 N/A GLY 240.A N SER 228.A O no hydrogen 2.718 N/A THR 241.A N GLY 244.A O no hydrogen 3.172 N/A THR 241.A OG1 GLY 244.A O no hydrogen 2.918 N/A ASP 242.A N SER 225.A O no hydrogen 3.298 N/A ASN 243.A N THR 241.A OG1 no hydrogen 2.915 N/A GLY 244.A N ASN 271.A O no hydrogen 2.628 N/A LEU 245.A N ILE 258.A O no hydrogen 2.989 N/A TYR 246.A N ALA 239.A O no hydrogen 3.087 N/A TYR 246.A OH ASN 224.A OD1 no hydrogen 3.386 N/A VAL 247.A N GLN 256.A O no hydrogen 2.922 N/A TYR 248.A N LEU 237.A O no hydrogen 2.829 N/A TYR 248.A OH ASP 251.A OD2 no hydrogen 2.688 N/A HIS 249.A ND1 ASP 236.A OD1 no hydrogen 2.917 N/A THR 252.A OG1 ASN 250.A OD1 no hydrogen 3.357 N/A THR 253.A N ASN 250.A O no hydrogen 2.982 N/A THR 253.A OG1 ASN 250.A OD1 no hydrogen 2.607 N/A GLN 256.A N VAL 247.A O no hydrogen 3.136 N/A HIS 257.A NE2 ASN 243.A O no hydrogen 2.776 N/A ILE 258.A N LEU 245.A O no hydrogen 2.834 N/A HIS 260.A N ASN 271.A OD1 no hydrogen 2.757 N/A HIS 260.A ND1 LEU 268.A O no hydrogen 2.638 N/A ASP 261.A N SER 267.A OG no hydrogen 2.799 N/A ARG 263.A N ASP 261.A OD1 no hydrogen 2.504 N/A ASN 264.A N ASP 261.A O no hydrogen 3.065 N/A GLN 266.A N ASN 264.A OD1 no hydrogen 2.649 N/A SER 267.A N ASN 264.A O no hydrogen 3.148 N/A SER 267.A OG ASP 261.A O no hydrogen 2.915 N/A SER 267.A OG ASN 264.A O no hydrogen 2.929 N/A SER 267.A OG LEU 268.A O no hydrogen 3.526 N/A THR 269.A N SER 293.A OG no hydrogen 2.900 N/A THR 269.A OG1 TYR 8.A OH no hydrogen 2.725 N/A THR 269.A OG1 TYR 290.A O no hydrogen 2.827 N/A ILE 272.A N ASN 270.A OD1 no hydrogen 3.008 N/A ILE 273.A N THR 241.A O no hydrogen 2.915 N/A TRP 274.A N GLY 287.A O no hydrogen 2.833 N/A TRP 274.A NE1 ASP 289.A OD1 no hydrogen 3.086 N/A ASN 275.A N GLY 287.A O no hydrogen 3.377 N/A PHE 277.A N TRP 285.A O no hydrogen 2.883 N/A ASP 279.A N ASN 283.A O no hydrogen 2.927 N/A GLN 280.A N GLN 21.A OE1 no hydrogen 2.764 N/A GLU 281.A N ASP 279.A OD2 no hydrogen 2.654 N/A HIS 282.A N ASP 279.A O no hydrogen 2.953 N/A ASN 283.A N ASP 279.A OD2 no hydrogen 2.863 N/A ASN 283.A ND2 ASP 279.A OD1 no hydrogen 2.795 N/A ASN 283.A ND2 ASP 279.A OD2 no hydrogen 3.348 N/A ASN 283.A ND2 SER 673.A OG no hydrogen 2.571 N/A ILE 284.A N SER 295.A O no hydrogen 2.873 N/A TRP 285.A N PHE 277.A O no hydrogen 2.793 N/A TRP 285.A NE1 ASP 279.A OD1 no hydrogen 3.162 N/A LEU 286.A N SER 293.A O no hydrogen 2.874 N/A GLY 287.A N ASN 275.A O no hydrogen 2.686 N/A THR 288.A N GLY 291.A O no hydrogen 3.033 N/A THR 288.A OG1 GLY 291.A O no hydrogen 2.931 N/A ASP 289.A N ILE 272.A O no hydrogen 3.175 N/A TYR 290.A N THR 288.A OG1 no hydrogen 2.943 N/A GLY 291.A N SER 14.A O no hydrogen 2.843 N/A ILE 292.A N ILE 7.A O no hydrogen 2.927 N/A SER 293.A N LEU 286.A O no hydrogen 3.040 N/A SER 293.A OG ASN 6.A OD1 no hydrogen 2.574 N/A LEU 294.A N ASP 5.A O no hydrogen 3.043 N/A SER 295.A N ILE 284.A O no hydrogen 2.788 N/A TYR 297.A N ASN 283.A OD1 no hydrogen 2.756 N/A TYR 297.A OH ASN 234.A OD1 no hydrogen 3.267 N/A SER 299.A OG LEU 300.A O no hydrogen 3.319 N/A ILE 303.A N PHE 608.A O no hydrogen 2.670 N/A ILE 305.A N ASP 606.A O no hydrogen 3.442 N/A GLN 307.A N PRO 304.A O no hydrogen 2.980 N/A ILE 308.A N ILE 305.A O no hydrogen 2.990 N/A THR 309.A N ILE 305.A O no hydrogen 2.938 N/A ASN 315.A N ASP 606.A OD1 no hydrogen 2.946 N/A ASN 315.A ND2 GLY 335.A O no hydrogen 3.028 N/A GLN 316.A NE2 THR 589.A OG1 no hydrogen 3.015 N/A PHE 317.A N GLY 604.A O no hydrogen 3.045 N/A TYR 318.A N GLY 331.A O no hydrogen 2.953 N/A SER 319.A N GLY 331.A O no hydrogen 3.224 N/A PHE 321.A N TRP 329.A O no hydrogen 3.039 N/A ARG 322.A NE GLY 326.A O no hydrogen 3.102 N/A ARG 322.A NH1 ASP 594.A OD1 no hydrogen 3.519 N/A ASP 323.A N PHE 327.A O no hydrogen 2.968 N/A SER 324.A N GLU 371.A OE1 no hydrogen 2.823 N/A SER 324.A OG GLU 371.A OE2 no hydrogen 2.664 N/A GLY 326.A N ASP 323.A O no hydrogen 3.001 N/A TYR 328.A N PHE 339.A O no hydrogen 2.925 N/A TYR 328.A OH ASP 594.A OD2 no hydrogen 3.304 N/A TRP 329.A N PHE 321.A O no hydrogen 2.812 N/A TRP 329.A NE1 ASP 323.A OD2 no hydrogen 3.013 N/A PHE 330.A N ILE 337.A O no hydrogen 2.937 N/A GLY 331.A N SER 319.A O no hydrogen 2.915 N/A GLY 332.A N GLY 335.A O no hydrogen 3.044 N/A ALA 333.A N GLN 316.A O no hydrogen 3.023 N/A ASN 334.A N ASN 315.A OD1 no hydrogen 2.854 N/A ASN 334.A ND2 GLY 314.A O no hydrogen 2.961 N/A GLY 335.A N ASN 364.A O no hydrogen 2.900 N/A LEU 336.A N TYR 352.A O no hydrogen 3.012 N/A ILE 337.A N PHE 330.A O no hydrogen 2.882 N/A ARG 338.A N ILE 350.A O no hydrogen 2.780 N/A PHE 339.A N TYR 328.A O no hydrogen 3.112 N/A THR 340.A N HIS 347.A O no hydrogen 3.177 N/A THR 340.A OG1 HIS 347.A O no hydrogen 3.366 N/A THR 340.A OG1 ASP 348.A OD2 no hydrogen 3.424 N/A HIS 347.A ND1 THR 340.A O no hydrogen 3.303 N/A HIS 347.A ND1 ASP 341.A O no hydrogen 2.532 N/A ILE 350.A N ARG 338.A O no hydrogen 2.896 N/A TRP 351.A NE1 ASN 334.A O no hydrogen 2.759 N/A TYR 352.A N LEU 336.A O no hydrogen 2.868 N/A TYR 352.A OH TYR 388.A OH no hydrogen 2.449 N/A TYR 352.A OH ARG 393.A O no hydrogen 2.586 N/A ARG 353.A N TYR 359.A O no hydrogen 3.232 N/A ARG 353.A NH1 ASP 313.A OD1 no hydrogen 3.021 N/A ARG 353.A NH2 ASP 313.A OD1 no hydrogen 2.804 N/A MET 354.A N ASN 364.A OD1 no hydrogen 2.506 N/A ASP 356.A N ARG 353.A O no hydrogen 3.249 N/A THR 358.A N ASP 356.A OD1 no hydrogen 2.792 N/A TYR 359.A N ASP 356.A OD1 no hydrogen 3.108 N/A SER 362.A OG GLY 383.A O no hydrogen 2.587 N/A ARG 365.A N HIS 363.A ND1 no hydrogen 3.052 N/A ILE 366.A N GLY 332.A O no hydrogen 3.042 N/A ARG 367.A N ALA 380.A O no hydrogen 2.706 N/A ARG 367.A NH1 ASP 382.A OD1 no hydrogen 2.963 N/A HIS 368.A N ALA 380.A O no hydrogen 3.307 N/A TYR 370.A N TRP 378.A O no hydrogen 2.837 N/A ASP 372.A N GLN 376.A O no hydrogen 2.992 N/A LYS 373.A N GLU 417.A OE2 no hydrogen 3.206 N/A LYS 373.A NZ GLU 417.A O no hydrogen 2.712 N/A LYS 373.A NZ ASP 418.A O no hydrogen 3.448 N/A GLU 374.A N ASP 372.A OD1 no hydrogen 2.615 N/A GLN 375.A N ASP 372.A O no hydrogen 3.350 N/A GLN 376.A N ASP 372.A OD1 no hydrogen 3.136 N/A TRP 378.A N TYR 370.A O no hydrogen 2.679 N/A TRP 378.A NE1 ASP 372.A OD2 no hydrogen 3.095 N/A ILE 379.A N ASN 386.A O no hydrogen 3.043 N/A ALA 380.A N HIS 368.A O no hydrogen 2.709 N/A THR 381.A N SER 384.A O no hydrogen 3.144 N/A THR 381.A OG1 SER 384.A O no hydrogen 2.751 N/A ASP 382.A N ARG 365.A O no hydrogen 3.241 N/A GLY 383.A N THR 381.A OG1 no hydrogen 2.707 N/A SER 384.A N ASN 410.A O no hydrogen 2.655 N/A SER 384.A OG TYR 398.A O no hydrogen 2.645 N/A SER 384.A OG THR 409.A O no hydrogen 3.455 N/A ASN 386.A N ILE 379.A O no hydrogen 3.073 N/A ASN 386.A ND2 SER 384.A O no hydrogen 3.520 N/A ARG 387.A N ILE 396.A O no hydrogen 2.875 N/A ARG 387.A NE TYR 398.A OH no hydrogen 2.864 N/A ARG 387.A NH1 GLN 376.A OE1 no hydrogen 2.775 N/A ARG 387.A NH2 TYR 398.A OH no hydrogen 3.517 N/A TYR 388.A N LEU 377.A O no hydrogen 3.010 N/A TYR 388.A OH TYR 352.A OH no hydrogen 2.449 N/A ASP 389.A N GLN 394.A O no hydrogen 3.159 N/A TYR 390.A OH ASP 323.A OD2 no hydrogen 2.763 N/A ALA 391.A N ASP 389.A OD1 no hydrogen 3.156 N/A THR 392.A OG1 ASP 389.A O no hydrogen 3.283 N/A ARG 393.A N ASP 389.A O no hydrogen 2.714 N/A GLN 394.A NE2 THR 358.A O no hydrogen 2.855 N/A ILE 396.A N ARG 387.A O no hydrogen 2.778 N/A TYR 398.A N ILE 385.A O no hydrogen 3.083 N/A VAL 401.A N TYR 448.A O no hydrogen 2.927 N/A ASP 402.A N TYR 407.A O no hydrogen 3.078 N/A THR 404.A N ASP 402.A OD2 no hydrogen 3.148 N/A THR 404.A OG1 ASP 402.A OD1 no hydrogen 3.340 N/A THR 404.A OG1 ASP 402.A OD2 no hydrogen 2.695 N/A THR 404.A OG1 GLY 405.A O no hydrogen 3.156 N/A TYR 407.A OH HIS 457.A NE2 no hydrogen 2.595 N/A ASN 410.A N ASN 408.A OD1 no hydrogen 2.730 N/A THR 412.A N THR 381.A O no hydrogen 3.033 N/A THR 412.A OG1 THR 409.A O no hydrogen 2.734 N/A TYR 413.A N SER 426.A O no hydrogen 3.023 N/A PHE 416.A N TRP 424.A O no hydrogen 3.036 N/A GLU 417.A N TYR 370.A OH no hydrogen 3.078 N/A ASP 418.A N GLN 422.A O no hydrogen 3.013 N/A ALA 420.A N ASP 418.A OD1 no hydrogen 2.825 N/A GLN 422.A N ASP 418.A OD1 no hydrogen 2.901 N/A LEU 423.A N VAL 435.A O no hydrogen 2.722 N/A TRP 424.A N PHE 416.A O no hydrogen 2.701 N/A TRP 424.A NE1 ASP 418.A OD2 no hydrogen 2.970 N/A ILE 425.A N PHE 433.A O no hydrogen 2.822 N/A SER 426.A N TYR 414.A O no hydrogen 2.761 N/A SER 426.A OG TYR 414.A O no hydrogen 3.429 N/A SER 426.A OG ILE 465.A O no hydrogen 3.456 N/A SER 426.A OG ASN 466.A O no hydrogen 2.664 N/A CYS 428.A N TRP 411.A O no hydrogen 2.961 N/A ILE 432.A N TYR 454.A O no hydrogen 3.133 N/A PHE 433.A N ILE 425.A O no hydrogen 2.885 N/A VAL 434.A N GLN 452.A O no hydrogen 3.046 N/A VAL 435.A N LEU 423.A O no hydrogen 2.944 N/A ASP 436.A N GLU 451.A OE1 no hydrogen 2.638 N/A LYS 437.A N GLY 421.A O no hydrogen 3.182 N/A LYS 437.A NZ ASP 372.A OD2 no hydrogen 2.730 N/A LYS 437.A NZ GLU 374.A OE1 no hydrogen 2.663 N/A LYS 437.A NZ GLU 417.A OE2 no hydrogen 2.964 N/A HIS 438.A NE2 GLU 374.A OE1 no hydrogen 2.650 N/A LYS 439.A N ASP 436.A O no hydrogen 3.322 N/A LEU 440.A N ASP 436.A O no hydrogen 3.273 N/A MET 441.A N LYS 437.A O no hydrogen 3.194 N/A GLN 442.A N HIS 438.A O no hydrogen 2.703 N/A SER 445.A OG THR 444.A O no hydrogen 2.948 N/A SER 445.A OG GLY 446.A O no hydrogen 2.949 N/A GLY 446.A N GLN 447.A O no hydrogen 2.472 N/A TYR 448.A N ASN 399.A O no hydrogen 2.883 N/A TYR 448.A OH GLU 451.A OE2 no hydrogen 2.638 N/A ALA 450.A N VAL 401.A O no hydrogen 2.766 N/A GLN 452.A N VAL 434.A O no hydrogen 3.239 N/A ASN 453.A ND2 GLY 430.A O no hydrogen 3.121 N/A TYR 454.A N ILE 432.A O no hydrogen 2.780 N/A SER 455.A OG ASN 453.A OD1 no hydrogen 3.119 N/A SER 461.A N ASP 487.A OD2 no hydrogen 2.858 N/A SER 461.A OG ASP 487.A OD1 no hydrogen 2.622 N/A SER 461.A OG ASP 487.A OD2 no hydrogen 2.514 N/A ILE 465.A N THR 427.A O no hydrogen 3.347 N/A ASN 466.A N LEU 479.A O no hydrogen 3.014 N/A ILE 469.A N TRP 477.A O no hydrogen 2.942 N/A GLY 474.A N ASP 471.A O no hydrogen 3.280 N/A VAL 476.A N ILE 489.A O no hydrogen 3.021 N/A TRP 477.A N ILE 469.A O no hydrogen 2.807 N/A VAL 478.A N ASP 487.A O no hydrogen 2.774 N/A LEU 479.A N GLN 467.A O no hydrogen 2.986 N/A TYR 481.A N PHE 464.A O no hydrogen 2.986 N/A GLY 485.A N LEU 504.A O no hydrogen 2.751 N/A ILE 486.A N LEU 499.A O no hydrogen 3.106 N/A ASP 487.A N VAL 478.A O no hydrogen 3.351 N/A LYS 488.A N THR 497.A O no hydrogen 2.892 N/A ILE 489.A N VAL 476.A O no hydrogen 2.863 N/A ASN 490.A N GLU 495.A O no hydrogen 2.856 N/A ARG 494.A N ASN 490.A O no hydrogen 2.510 N/A THR 497.A N LYS 488.A O no hydrogen 2.847 N/A THR 497.A OG1 LYS 488.A O no hydrogen 3.425 N/A LYS 498.A NZ SER 461.A OG no hydrogen 2.587 N/A LYS 498.A NZ ASN 483.A OD1 no hydrogen 2.528 N/A LYS 498.A NZ LYS 484.A O no hydrogen 2.865 N/A LYS 498.A NZ ASP 487.A OD1 no hydrogen 3.288 N/A LEU 499.A N ILE 486.A O no hydrogen 2.831 N/A LEU 504.A N PHE 500.A O no hydrogen 2.968 N/A THR 505.A N GLU 503.A O no hydrogen 2.795 N/A LYS 508.A N THR 505.A O no hydrogen 2.866 N/A SER 509.A N GLY 506.A O no hydrogen 3.163 N/A SER 509.A OG ASN 483.A O no hydrogen 3.246 N/A ASN 511.A N GLY 524.A O no hydrogen 2.954 N/A ASN 511.A ND2 ILE 551.A O no hydrogen 3.303 N/A TYR 512.A N GLY 524.A O no hydrogen 3.298 N/A TYR 512.A OH MET 554.A O no hydrogen 3.257 N/A LEU 513.A N GLN 467.A OE1 no hydrogen 3.164 N/A LEU 514.A N TRP 522.A O no hydrogen 3.091 N/A CYS 515.A SG PRO 470.A O no hydrogen 4.026 N/A CYS 515.A SG ASP 516.A O no hydrogen 3.529 N/A ASP 516.A N LEU 520.A O no hydrogen 3.059 N/A ASP 518.A N ASP 516.A OD1 no hydrogen 2.807 N/A GLY 519.A N ASP 516.A O no hydrogen 3.137 N/A LEU 520.A N ASP 516.A OD1 no hydrogen 3.089 N/A LEU 521.A N ILE 532.A O no hydrogen 2.945 N/A TRP 522.A N LEU 514.A O no hydrogen 2.749 N/A TRP 522.A NE1 ASP 516.A OD2 no hydrogen 3.284 N/A VAL 523.A N MET 530.A O no hydrogen 2.846 N/A GLY 524.A N TYR 512.A O no hydrogen 2.920 N/A PHE 525.A N GLY 528.A O no hydrogen 2.951 N/A MET 530.A N VAL 523.A O no hydrogen 2.849 N/A ARG 531.A N GLN 539.A O no hydrogen 3.001 N/A ARG 531.A NH2 ARG 574.A O no hydrogen 2.629 N/A ARG 531.A NH2 LYS 575.A O no hydrogen 2.937 N/A ILE 532.A N LEU 521.A O no hydrogen 2.793 N/A LYS 535.A N ASN 533.A OD1 no hydrogen 3.127 N/A SER 538.A OG GLU 537.A O no hydrogen 2.416 N/A SER 540.A OG GLU 503.A OE2 no hydrogen 3.033 N/A ILE 541.A N VAL 529.A O no hydrogen 3.152 N/A PHE 543.A N GLY 527.A O no hydrogen 2.869 N/A SER 547.A OG GLY 544.A O no hydrogen 3.061 N/A LEU 552.A N SER 564.A O no hydrogen 2.914 N/A SER 553.A N SER 564.A O no hydrogen 3.249 N/A THR 555.A N TRP 562.A O no hydrogen 2.934 N/A VAL 557.A N SER 560.A O no hydrogen 2.899 N/A LYS 558.A NZ ASP 598.A OD1 no hydrogen 3.459 N/A SER 560.A N VAL 557.A O no hydrogen 2.868 N/A ILE 561.A N ILE 572.A O no hydrogen 2.923 N/A TRP 562.A N THR 555.A O no hydrogen 2.797 N/A VAL 563.A N TRP 570.A O no hydrogen 2.714 N/A SER 564.A N SER 553.A O no hydrogen 2.641 N/A SER 564.A OG PHE 588.A O no hydrogen 2.537 N/A THR 565.A OG1 ASN 549.A OD1 no hydrogen 3.424 N/A THR 565.A OG1 GLU 550.A O no hydrogen 3.467 N/A THR 566.A N GLU 550.A O no hydrogen 3.136 N/A THR 566.A OG1 GLU 550.A O no hydrogen 3.098 N/A ASN 567.A ND2 ASN 549.A OD1 no hydrogen 3.577 N/A TRP 570.A N VAL 563.A O no hydrogen 2.731 N/A ILE 571.A N ARG 580.A O no hydrogen 2.865 N/A ILE 572.A N ILE 561.A O no hydrogen 3.007 N/A ASP 573.A N ASP 578.A O no hydrogen 2.982 N/A ARG 574.A N ASN 559.A O no hydrogen 2.986 N/A ARG 574.A NE LYS 558.A O no hydrogen 3.131 N/A ARG 574.A NH1 ASP 518.A OD2 no hydrogen 3.154 N/A ARG 574.A NH2 LYS 558.A O no hydrogen 3.119 N/A LYS 575.A N ASP 573.A OD1 no hydrogen 2.702 N/A THR 576.A N ASP 573.A OD1 no hydrogen 2.775 N/A THR 576.A OG1 ASP 573.A OD1 no hydrogen 3.381 N/A MET 577.A N ASP 573.A O no hydrogen 2.962 N/A ASP 578.A N THR 576.A OG1 no hydrogen 3.400 N/A ARG 580.A N ILE 571.A O no hydrogen 2.950 N/A GLN 582.A N LEU 569.A O no hydrogen 3.045 N/A LYS 586.A N THR 584.A OG1 no hydrogen 3.334 N/A THR 589.A N GLY 603.A O no hydrogen 2.917 N/A THR 589.A OG1 PHE 317.A O no hydrogen 2.898 N/A SER 590.A OG PHE 317.A O no hydrogen 3.155 N/A LEU 592.A N TYR 601.A O no hydrogen 2.875 N/A ASP 594.A N CYS 599.A O no hydrogen 2.872 N/A LYS 596.A N ASP 594.A OD1 no hydrogen 3.347 N/A CYS 599.A N ASP 594.A O no hydrogen 3.229 N/A CYS 599.A SG GLU 597.A O no hydrogen 3.683 N/A CYS 599.A SG TYR 601.A OH no hydrogen 3.490 N/A VAL 600.A N SER 611.A O no hydrogen 2.828 N/A TYR 601.A N LEU 592.A O no hydrogen 2.657 N/A LEU 602.A N GLY 609.A O no hydrogen 2.865 N/A GLY 603.A N SER 590.A O no hydrogen 2.952 N/A GLY 604.A N GLY 607.A O no hydrogen 3.281 N/A ASP 606.A N ASN 315.A O no hydrogen 2.791 N/A PHE 608.A N ILE 303.A O no hydrogen 2.985 N/A GLY 609.A N LEU 602.A O no hydrogen 2.749 N/A ILE 610.A N GLN 301.A O no hydrogen 2.924 N/A SER 611.A N VAL 600.A O no hydrogen 3.243 N/A SER 611.A OG HIS 612.A O no hydrogen 3.413 N/A SER 613.A OG ASP 598.A OD1 no hydrogen 2.700 N/A GLU 616.A N ASN 614.A O no hydrogen 2.473 N/A ARG 623.A NE PRO 621.A O no hydrogen 3.522 N/A ARG 623.A NH2 LEU 670.A O no hydrogen 3.435 N/A LEU 626.A N SER 668.A O no hydrogen 2.581 N/A THR 628.A N GLU 666.A O no hydrogen 2.833 N/A THR 628.A OG1 ASP 39.A OD2 no hydrogen 2.767 N/A THR 628.A OG1 GLU 666.A O no hydrogen 3.383 N/A TYR 631.A N SER 664.A O no hydrogen 3.175 N/A TYR 631.A OH GLU 666.A OE2 no hydrogen 3.265 N/A ILE 632.A N GLN 635.A O no hydrogen 3.018 N/A ASN 633.A N ASN 662.A O no hydrogen 2.967 N/A ASN 633.A ND2 ASP 659.A O no hydrogen 3.612 N/A VAL 637.A N LEU 630.A O no hydrogen 2.938 N/A SER 638.A OG ASP 84.A OD2 no hydrogen 2.584 N/A ARG 640.A N ASP 84.A OD2 no hydrogen 3.193 N/A ARG 640.A NH1 THR 48.A OG1 no hydrogen 2.743 N/A THR 641.A N SER 638.A O no hydrogen 2.934 N/A THR 641.A OG1 SER 638.A O no hydrogen 3.193 N/A ARG 642.A N SER 638.A O no hydrogen 3.097 N/A ARG 642.A NE ASP 644.A OD1 no hydrogen 2.993 N/A ARG 642.A NH2 ASP 644.A OD2 no hydrogen 3.187 N/A ASN 647.A ND2 TYR 81.A O no hydrogen 3.155 N/A ASN 647.A ND2 ARG 82.A O no hydrogen 2.822 N/A ARG 649.A N ASN 647.A OD1 no hydrogen 3.233 N/A ARG 649.A NH1 ASP 22.A OD2 no hydrogen 2.707 N/A ARG 649.A NH2 ASP 22.A OD1 no hydrogen 2.953 N/A ARG 649.A NH2 ASP 22.A OD2 no hydrogen 2.918 N/A TYR 650.A N ASN 647.A O no hydrogen 3.117 N/A TYR 650.A OH GLU 24.A OE2 no hydrogen 2.657 N/A THR 651.A OG1 ASN 647.A O no hydrogen 2.776 N/A ILE 654.A N ASN 732.A O no hydrogen 2.930 N/A LEU 656.A N ARG 734.A O no hydrogen 2.896 N/A LYS 657.A N GLN 660.A OE1 no hydrogen 3.043 N/A LYS 657.A NZ ASP 644.A OD2 no hydrogen 3.435 N/A GLN 660.A N LYS 657.A O no hydrogen 2.637 N/A GLN 660.A NE2 ASP 644.A OD2 no hydrogen 3.099 N/A ASN 661.A ND2 ASN 705.A OD1 no hydrogen 3.580 N/A ASN 661.A ND2 LEU 706.A O no hydrogen 2.941 N/A ASN 662.A ND2 ASN 633.A OD1 no hydrogen 3.314 N/A LEU 663.A N TYR 703.A O no hydrogen 2.941 N/A SER 664.A N TYR 631.A O no hydrogen 3.070 N/A SER 664.A OG THR 702.A OG1 no hydrogen 2.979 N/A PHE 665.A N ILE 701.A O no hydrogen 2.654 N/A GLU 666.A N ALA 629.A O no hydrogen 3.129 N/A LEU 667.A N ASN 699.A O no hydrogen 3.027 N/A SER 668.A N LEU 626.A O no hydrogen 2.886 N/A SER 668.A OG ASP 39.A O no hydrogen 2.454 N/A LEU 670.A N SER 668.A OG no hydrogen 2.903 N/A TYR 672.A OH TYR 38.A O no hydrogen 2.802 N/A LEU 674.A N PRO 671.A O no hydrogen 2.991 N/A ASN 678.A ND2 ASP 669.A OD2 no hydrogen 2.971 N/A VAL 681.A N SER 716.A O no hydrogen 2.912 N/A TYR 682.A N ASN 692.A O no hydrogen 2.874 N/A ARG 683.A N ILE 714.A O no hydrogen 3.119 N/A LEU 684.A N ASP 688.A OD2 no hydrogen 2.646 N/A GLU 685.A N GLN 712.A O no hydrogen 2.709 N/A ASP 688.A N LEU 684.A O no hydrogen 2.979 N/A ASN 692.A N TYR 682.A O no hydrogen 2.831 N/A LEU 694.A N PHE 680.A O no hydrogen 3.103 N/A ILE 698.A N LYS 695.A O no hydrogen 2.748 N/A ASN 699.A ND2 LEU 667.A O no hydrogen 2.760 N/A ARG 700.A NE GLU 666.A OE2 no hydrogen 3.492 N/A ARG 700.A NH2 GLU 666.A OE2 no hydrogen 3.145 N/A ILE 701.A N PHE 665.A O no hydrogen 2.803 N/A THR 702.A OG1 SER 664.A OG no hydrogen 2.979 N/A TYR 703.A N LEU 663.A O no hydrogen 2.741 N/A TYR 703.A OH ASP 688.A OD2 no hydrogen 2.436 N/A ASN 705.A N ASN 662.A OD1 no hydrogen 2.807 N/A LEU 706.A N ASN 661.A O no hydrogen 3.193 N/A GLY 709.A N ILE 735.A O no hydrogen 2.982 N/A TYR 711.A N ILE 733.A O no hydrogen 2.692 N/A TYR 711.A OH SER 707.A O no hydrogen 2.874 N/A GLN 712.A N GLU 685.A O no hydrogen 3.243 N/A GLN 712.A NE2 ASN 732.A OD1 no hydrogen 3.370 N/A LEU 713.A N LEU 731.A O no hydrogen 2.920 N/A ILE 714.A N ARG 683.A O no hydrogen 2.921 N/A ILE 715.A N HIS 729.A O no hydrogen 2.878 N/A SER 716.A N VAL 681.A O no hydrogen 3.081 N/A SER 716.A OG SER 725.A O no hydrogen 2.865 N/A LYS 717.A NZ GLU 719.A OE2 no hydrogen 3.113 N/A LEU 718.A N LYS 679.A O no hydrogen 2.726 N/A GLU 719.A N GLN 723.A O no hydrogen 2.564 N/A GLY 722.A N GLU 719.A O no hydrogen 2.879 N/A SER 725.A N LYS 717.A O no hydrogen 3.032 N/A SER 725.A OG GLU 719.A OE1 no hydrogen 3.374 N/A ARG 727.A N SER 725.A OG no hydrogen 3.367 N/A ARG 727.A NH1 ASP 341.A OD2 no hydrogen 2.960 N/A HIS 729.A N ILE 715.A O no hydrogen 2.823 N/A LEU 731.A N LEU 713.A O no hydrogen 2.948 N/A ASN 732.A N ASN 652.A O no hydrogen 2.805 N/A ILE 733.A N TYR 711.A O no hydrogen 2.926 N/A ARG 734.A N ILE 654.A O no hydrogen 2.896 N/A ILE 735.A N GLY 709.A O no hydrogen 2.946 N/A LEU 736.A N LEU 656.A O no hydrogen 2.951 N/A LEU 740.A N PRO 737.A O no hydrogen 2.939 N/A HIS 743.A N LEU 740.A O no hydrogen 3.090 N/A HIS 744.A N GLU 741.A O no hydrogen 2.813 N/A HIS 744.A ND1 GLU 741.A O no hydrogen 3.195 N/A