Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1gpe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A OH GLU 68.A OE1 no hydrogen 2.607 N/A VAL 9.A N ILE 7.A O no hydrogen 2.997 N/A GLN 10.A NE2 THR 250.A OG1 no hydrogen 2.832 N/A SER 11.A N ASP 8.A OD1 no hydrogen 3.162 N/A SER 11.A OG ASP 8.A OD2 no hydrogen 2.436 N/A SER 12.A N VAL 9.A O no hydrogen 2.875 N/A LEU 13.A N GLN 10.A O no hydrogen 2.818 N/A LEU 14.A N ILE 248.A O no hydrogen 2.746 N/A SER 18.A N ASP 16.A OD1 no hydrogen 2.921 N/A SER 18.A OG ASP 16.A OD1 no hydrogen 2.678 N/A SER 18.A OG ASP 16.A OD2 no hydrogen 3.213 N/A LYS 19.A N ASP 16.A O no hydrogen 3.053 N/A VAL 20.A N PRO 17.A O no hydrogen 3.031 N/A ALA 21.A N PRO 17.A O no hydrogen 2.873 N/A GLY 22.A N ASP 282.A O no hydrogen 2.602 N/A LYS 23.A N VAL 20.A O no hydrogen 2.912 N/A TYR 25.A N PHE 284.A O no hydrogen 2.795 N/A TYR 25.A OH GLU 247.A OE1 no hydrogen 2.454 N/A ASP 26.A N LYS 50.A O no hydrogen 2.770 N/A TYR 27.A N LYS 50.A O no hydrogen 3.130 N/A ILE 28.A N GLU 288.A O no hydrogen 3.016 N/A ILE 29.A N LEU 52.A O no hydrogen 2.709 N/A ALA 30.A N LEU 290.A O no hydrogen 2.776 N/A GLY 31.A N ILE 54.A O no hydrogen 2.599 N/A GLY 32.A N GLU 55.A OE1 no hydrogen 2.611 N/A LEU 37.A N GLY 33.A O no hydrogen 2.946 N/A THR 38.A N LEU 34.A O no hydrogen 3.166 N/A THR 38.A OG1 LEU 34.A O no hydrogen 2.650 N/A VAL 39.A N THR 35.A O no hydrogen 2.926 N/A ALA 40.A N GLY 36.A O no hydrogen 2.860 N/A ALA 41.A N LEU 37.A O no hydrogen 2.808 N/A LYS 42.A N THR 38.A O no hydrogen 2.986 N/A LYS 42.A NZ GLU 45.A OE1 no hydrogen 3.148 N/A LYS 42.A NZ GLU 45.A OE2 no hydrogen 2.774 N/A LEU 43.A N VAL 39.A O no hydrogen 2.770 N/A THR 44.A N ALA 40.A O no hydrogen 3.010 N/A THR 44.A OG1 ALA 40.A O no hydrogen 2.650 N/A THR 44.A OG1 ALA 41.A O no hydrogen 3.315 N/A GLU 45.A N LYS 42.A O no hydrogen 3.326 N/A ASN 46.A N LEU 43.A O no hydrogen 3.412 N/A LYS 48.A N ASN 46.A OD1 no hydrogen 3.006 N/A ILE 49.A N ASN 46.A O no hydrogen 2.989 N/A LYS 50.A N ASP 26.A OD2 no hydrogen 2.674 N/A VAL 51.A N ASN 245.A O no hydrogen 2.736 N/A LEU 52.A N TYR 27.A O no hydrogen 2.912 N/A VAL 53.A N GLU 247.A O no hydrogen 2.810 N/A ILE 54.A N ILE 29.A O no hydrogen 2.760 N/A GLU 55.A N LEU 249.A O no hydrogen 2.735 N/A LYS 56.A NZ GLN 83.A OE1 no hydrogen 2.652 N/A GLY 57.A N GLU 55.A OE2 no hydrogen 2.779 N/A TYR 59.A N GLN 10.A OE1 no hydrogen 2.779 N/A SER 61.A OG ASP 231.A OD1 no hydrogen 2.851 N/A SER 61.A OG ASP 231.A OD2 no hydrogen 3.000 N/A ASN 62.A ND2 ILE 7.A O no hydrogen 3.492 N/A ASP 63.A N GLU 60.A O no hydrogen 3.063 N/A GLY 64.A N GLU 68.A OE2 no hydrogen 2.895 N/A ILE 67.A N GLY 64.A O no hydrogen 3.042 N/A GLU 68.A N GLY 64.A O no hydrogen 2.784 N/A ASP 69.A N ALA 65.A O no hydrogen 2.922 N/A ASN 71.A N ASP 69.A OD1 no hydrogen 3.001 N/A ASN 71.A ND2 ASP 69.A OD1 no hydrogen 2.626 N/A ALA 72.A N ASP 69.A O no hydrogen 2.966 N/A TYR 73.A N PRO 70.A O no hydrogen 3.164 N/A GLN 75.A N ALA 72.A O no hydrogen 3.005 N/A PHE 77.A N GLY 74.A O no hydrogen 3.080 N/A GLY 78.A N ASP 82.A OD2 no hydrogen 2.622 N/A THR 79.A N ILE 76.A O no hydrogen 3.034 N/A THR 79.A OG1 ILE 76.A O no hydrogen 2.627 N/A VAL 81.A N THR 79.A OG1 no hydrogen 3.129 N/A ASP 82.A N THR 79.A O no hydrogen 3.006 N/A GLN 83.A N ALA 100.A O no hydrogen 2.658 N/A GLN 83.A NE2 GLY 101.A O no hydrogen 2.994 N/A TYR 85.A N ILE 98.A O no hydrogen 3.000 N/A THR 87.A N ASN 96.A O no hydrogen 2.893 N/A THR 87.A OG1 VAL 88.A O no hydrogen 2.702 N/A THR 87.A OG1 ASN 96.A O no hydrogen 3.330 N/A VAL 88.A N ASN 454.A O no hydrogen 2.947 N/A LEU 90.A N ARG 94.A O no hydrogen 2.825 N/A ASN 92.A ND2 LEU 512.A O no hydrogen 3.377 N/A ASN 93.A N LEU 90.A O no hydrogen 2.753 N/A ARG 94.A N ASN 92.A OD1 no hydrogen 3.242 N/A ARG 94.A NH1 GLN 513.A O no hydrogen 2.822 N/A ARG 94.A NH2 GLN 513.A O no hydrogen 2.601 N/A ARG 94.A NH2 GLN 513.A OE1 no hydrogen 2.532 N/A ASN 96.A N THR 87.A OG1 no hydrogen 2.842 N/A ASN 96.A ND2 PHE 515.A O no hydrogen 3.614 N/A ASN 97.A N ASN 96.A OD1 no hydrogen 2.722 N/A ASN 97.A ND2 ASN 84.A OD1 no hydrogen 2.930 N/A ILE 98.A N TYR 85.A O no hydrogen 2.572 N/A LYS 99.A NZ ASP 82.A OD2 no hydrogen 2.602 N/A LYS 99.A NZ ASN 84.A OD1 no hydrogen 2.822 N/A GLY 101.A N SER 107.A OG no hydrogen 2.804 N/A LYS 102.A N VAL 81.A O no hydrogen 2.649 N/A LYS 102.A NZ THR 80.A O no hydrogen 2.978 N/A LEU 104.A N PHE 58.A O no hydrogen 2.778 N/A GLY 105.A N GLY 32.A O no hydrogen 2.620 N/A GLY 106.A N GLY 103.A O no hydrogen 2.724 N/A THR 108.A N GLY 105.A O no hydrogen 2.954 N/A THR 108.A OG1 GLY 105.A O no hydrogen 2.555 N/A LEU 109.A N GLY 106.A O no hydrogen 3.022 N/A ILE 110.A N SER 107.A O no hydrogen 3.209 N/A ASP 113.A N ASN 111.A OD1 no hydrogen 2.936 N/A TRP 115.A N MET 220.A O no hydrogen 2.977 N/A TRP 115.A NE1 GLU 148.A OE1 no hydrogen 2.640 N/A THR 116.A OG1 SER 562.A OG no hydrogen 3.077 N/A ARG 117.A N PHE 208.A O no hydrogen 2.894 N/A ARG 117.A NH1 CYS 168.A O no hydrogen 2.600 N/A ARG 117.A NH1 LEU 209.A O no hydrogen 2.667 N/A ARG 117.A NH2 CYS 168.A O no hydrogen 2.969 N/A ASP 119.A N GLN 122.A OE1 no hydrogen 3.073 N/A LYS 120.A N GLY 211.A O no hydrogen 2.673 N/A LYS 120.A NZ ASP 124.A OD2 no hydrogen 2.690 N/A VAL 121.A N ASP 119.A OD1 no hydrogen 2.978 N/A GLN 122.A N ASP 119.A O no hydrogen 2.933 N/A GLN 122.A NE2 SER 561.A OG no hydrogen 2.838 N/A ILE 123.A N ASP 119.A O no hydrogen 3.307 N/A ASP 124.A N LYS 120.A O no hydrogen 2.866 N/A SER 125.A N VAL 121.A O no hydrogen 3.073 N/A SER 125.A OG GLN 122.A O no hydrogen 2.698 N/A TRP 126.A N ILE 123.A O no hydrogen 3.040 N/A TRP 126.A NE1 THR 558.A OG1 no hydrogen 2.864 N/A GLU 127.A N ASP 124.A O no hydrogen 2.998 N/A LYS 128.A N ASP 124.A O no hydrogen 2.843 N/A LYS 128.A NZ GLU 127.A OE1 no hydrogen 2.925 N/A VAL 129.A N SER 125.A O no hydrogen 2.722 N/A PHE 130.A N SER 125.A O no hydrogen 2.924 N/A GLY 131.A N GLU 127.A O no hydrogen 3.116 N/A MET 132.A N TRP 126.A O no hydrogen 2.883 N/A GLY 134.A N GLU 127.A OE2 no hydrogen 2.721 N/A TRP 135.A N MET 132.A O no hydrogen 3.106 N/A TRP 135.A NE1 ALA 538.A O no hydrogen 2.705 N/A ASN 136.A ND2 GLU 127.A OE1 no hydrogen 3.046 N/A ASN 136.A ND2 GLU 127.A OE2 no hydrogen 3.404 N/A TRP 137.A N ASP 124.A OD1 no hydrogen 2.713 N/A ASN 139.A N ASN 136.A OD1 no hydrogen 2.773 N/A ASN 139.A ND2 GLY 134.A O no hydrogen 2.838 N/A MET 140.A N ASN 136.A O no hydrogen 2.898 N/A PHE 141.A N TRP 137.A O no hydrogen 2.585 N/A GLU 142.A N ASP 138.A O no hydrogen 3.335 N/A TYR 143.A N ASN 139.A O no hydrogen 3.123 N/A TYR 143.A OH ASP 577.A OD2 no hydrogen 2.432 N/A MET 144.A N MET 140.A O no hydrogen 2.648 N/A LYS 145.A N PHE 141.A O no hydrogen 2.884 N/A LYS 145.A NZ THR 167.A O no hydrogen 2.704 N/A LYS 146.A N GLU 142.A O no hydrogen 2.912 N/A ALA 147.A N TYR 143.A O no hydrogen 3.179 N/A ALA 147.A N MET 144.A O no hydrogen 3.302 N/A GLU 148.A N LYS 145.A O no hydrogen 3.139 N/A ALA 149.A N VAL 175.A O no hydrogen 2.847 N/A ALA 150.A N GLY 170.A O no hydrogen 2.794 N/A ARG 151.A N SER 177.A O no hydrogen 2.861 N/A ARG 151.A NH1 LEU 223.A O no hydrogen 2.645 N/A ARG 151.A NH2 LEU 223.A O no hydrogen 3.239 N/A THR 154.A N GLN 157.A OE1 no hydrogen 2.873 N/A GLN 157.A N THR 154.A OG1 no hydrogen 3.205 N/A GLN 157.A NE2 ASP 181.A OD2 no hydrogen 2.856 N/A LEU 158.A N THR 154.A O no hydrogen 2.825 N/A ALA 159.A N ALA 155.A O no hydrogen 2.810 N/A ALA 160.A N ALA 156.A O no hydrogen 2.845 N/A GLY 161.A N GLN 157.A O no hydrogen 3.251 N/A GLY 161.A N LEU 158.A O no hydrogen 3.014 N/A HIS 162.A N GLN 157.A O no hydrogen 3.020 N/A SER 163.A OG GLN 205.A O no hydrogen 3.366 N/A ASN 165.A N ASP 207.A OD2 no hydrogen 2.708 N/A THR 167.A N ASN 165.A OD1 no hydrogen 3.306 N/A THR 167.A OG1 ASN 165.A OD1 no hydrogen 2.607 N/A CYS 168.A N ASN 165.A O no hydrogen 3.041 N/A CYS 168.A SG ASN 165.A O no hydrogen 3.643 N/A CYS 168.A SG THR 167.A OG1 no hydrogen 3.711 N/A HIS 169.A N ALA 166.A O no hydrogen 3.359 N/A HIS 169.A NE2 ASP 207.A OD2 no hydrogen 2.501 N/A GLY 170.A N GLU 148.A OE2 no hydrogen 2.648 N/A GLY 173.A N GLU 148.A O no hydrogen 2.695 N/A THR 174.A N ALA 147.A O no hydrogen 3.051 N/A VAL 175.A N ALA 147.A O no hydrogen 2.693 N/A GLN 176.A NE2 GLU 225.A OE1 no hydrogen 2.503 N/A SER 177.A N ALA 149.A O no hydrogen 2.814 N/A GLY 178.A N ASN 221.A O no hydrogen 2.900 N/A ARG 180.A NE ASN 221.A OD1 no hydrogen 2.676 N/A ARG 180.A NH2 ASN 221.A OD1 no hydrogen 2.786 N/A ASP 181.A N GLN 227.A OE1 no hydrogen 2.757 N/A ASN 182.A N GLN 349.A OE1 no hydrogen 2.833 N/A ASN 182.A ND2 ASN 71.A OD1 no hydrogen 3.309 N/A ASN 182.A ND2 GLU 422.A OE2 no hydrogen 2.653 N/A GLY 183.A N ASP 181.A OD1 no hydrogen 3.027 N/A GLN 184.A N ASN 182.A OD1 no hydrogen 3.099 N/A GLN 184.A NE2 GLU 422.A OE1 no hydrogen 3.049 N/A SER 187.A N GLN 349.A O no hydrogen 2.821 N/A SER 187.A OG GLY 346.A O no hydrogen 2.622 N/A ILE 189.A N SER 187.A OG no hydrogen 3.058 N/A LYS 191.A NZ ALA 159.A O no hydrogen 2.985 N/A ALA 192.A N PRO 188.A O no hydrogen 2.932 N/A LEU 193.A N ILE 189.A O no hydrogen 2.789 N/A MET 194.A N MET 190.A O no hydrogen 3.002 N/A ASN 195.A N LYS 191.A O no hydrogen 2.764 N/A THR 196.A N ALA 192.A O no hydrogen 2.807 N/A THR 196.A OG1 ALA 192.A O no hydrogen 2.653 N/A THR 196.A OG1 GLN 481.A O no hydrogen 3.506 N/A VAL 197.A N LEU 193.A O no hydrogen 2.950 N/A SER 198.A N MET 194.A O no hydrogen 2.770 N/A SER 198.A OG MET 194.A O no hydrogen 3.167 N/A SER 198.A OG ASN 195.A O no hydrogen 3.006 N/A ALA 199.A N ASN 195.A O no hydrogen 3.154 N/A LEU 200.A N VAL 197.A O no hydrogen 2.855 N/A GLY 201.A N SER 198.A O no hydrogen 2.914 N/A VAL 202.A N VAL 197.A O no hydrogen 2.929 N/A GLN 205.A N VAL 216.A O no hydrogen 2.867 N/A GLN 205.A NE2 GLY 161.A O no hydrogen 2.863 N/A GLN 206.A NE2 VAL 204.A O no hydrogen 3.218 N/A LEU 209.A N ASP 207.A OD1 no hydrogen 2.875 N/A CYS 210.A N ASP 207.A O no hydrogen 3.002 N/A HIS 212.A ND1 ASP 119.A OD2 no hydrogen 2.528 N/A HIS 212.A NE2 ASP 411.A OD2 no hydrogen 2.817 N/A ARG 214.A NE ASP 411.A OD1 no hydrogen 3.056 N/A ARG 214.A NE ASP 411.A OD2 no hydrogen 3.287 N/A ARG 214.A NH1 PHE 355.A O no hydrogen 2.839 N/A ARG 214.A NH1 GLU 360.A OE1 no hydrogen 2.696 N/A ARG 214.A NH1 GLU 360.A OE2 no hydrogen 3.415 N/A ARG 214.A NH2 GLU 360.A OE2 no hydrogen 2.724 N/A ARG 214.A NH2 ASP 411.A OD1 no hydrogen 3.323 N/A GLY 215.A N PHE 355.A O no hydrogen 2.796 N/A VAL 216.A N PRO 203.A O no hydrogen 3.076 N/A SER 217.A N VAL 353.A O no hydrogen 2.984 N/A SER 217.A OG GLN 206.A O no hydrogen 2.594 N/A ASN 221.A N GLY 178.A O no hydrogen 2.747 N/A ASN 221.A ND2 MET 220.A O no hydrogen 2.988 N/A ASN 222.A N ASP 113.A O no hydrogen 3.139 N/A ASN 222.A ND2 VAL 230.A O no hydrogen 2.679 N/A ASP 224.A N VAL 228.A O no hydrogen 3.013 N/A GLU 225.A N GLU 225.A OE1 no hydrogen 2.719 N/A ASN 226.A N ASP 224.A OD1 no hydrogen 2.844 N/A GLN 227.A N ASP 224.A O no hydrogen 2.948 N/A GLN 227.A NE2 ALA 179.A O no hydrogen 2.993 N/A VAL 228.A N ASP 224.A OD1 no hydrogen 2.967 N/A ARG 229.A N GLU 68.A O no hydrogen 2.657 N/A ARG 229.A NE ILE 67.A O no hydrogen 2.616 N/A ARG 229.A NH1 THR 108.A O no hydrogen 3.151 N/A ARG 229.A NH1 ASN 111.A O no hydrogen 2.797 N/A ARG 229.A NH1 ASN 111.A OD1 no hydrogen 3.052 N/A ARG 229.A NH2 ASN 111.A O no hydrogen 2.951 N/A VAL 230.A N ASN 222.A O no hydrogen 2.735 N/A ALA 232.A N THR 108.A OG1 no hydrogen 2.783 N/A ARG 234.A N ASP 231.A OD1 no hydrogen 2.800 N/A ARG 234.A NH1 GLN 6.A OE1 no hydrogen 3.111 N/A ARG 234.A NH2 SER 61.A O no hydrogen 2.632 N/A ALA 235.A N ASP 231.A O no hydrogen 2.956 N/A TRP 236.A N ALA 232.A O no hydrogen 2.756 N/A LEU 237.A N ALA 233.A O no hydrogen 2.680 N/A LEU 238.A N ALA 233.A O no hydrogen 2.677 N/A ASN 240.A N LEU 237.A O no hydrogen 2.906 N/A ASN 240.A ND2 TRP 236.A O no hydrogen 2.695 N/A ARG 243.A N ASN 240.A O no hydrogen 3.016 N/A ARG 243.A NH1 ALA 41.A O no hydrogen 2.718 N/A ARG 243.A NH1 THR 44.A OG1 no hydrogen 2.798 N/A ASN 245.A ND2 THR 44.A O no hydrogen 3.026 N/A ASN 245.A ND2 ILE 49.A O no hydrogen 2.817 N/A LEU 246.A N ARG 243.A O no hydrogen 3.188 N/A GLU 247.A N VAL 51.A O no hydrogen 2.703 N/A LEU 249.A N VAL 53.A O no hydrogen 2.734 N/A THR 250.A N LEU 14.A O no hydrogen 2.762 N/A THR 250.A OG1 LEU 14.A O no hydrogen 2.792 N/A GLY 251.A N GLY 57.A O no hydrogen 2.901 N/A GLN 252.A N GLU 55.A O no hydrogen 3.134 N/A MET 253.A N GLY 274.A O no hydrogen 2.881 N/A GLY 255.A N ASN 272.A O no hydrogen 2.793 N/A LYS 256.A N ASN 272.A O no hydrogen 3.372 N/A VAL 257.A N SER 305.A OG no hydrogen 2.623 N/A LEU 258.A N GLY 270.A O no hydrogen 2.755 N/A LYS 260.A N GLN 267.A O no hydrogen 2.817 N/A THR 262.A N GLY 265.A O no hydrogen 3.002 N/A THR 262.A OG1 SER 264.A OG no hydrogen 3.340 N/A THR 262.A OG1 GLY 265.A O no hydrogen 2.518 N/A SER 264.A OG THR 262.A OG1 no hydrogen 3.340 N/A SER 264.A OG GLN 546.A OE1 no hydrogen 3.144 N/A GLY 265.A N THR 262.A O no hydrogen 3.439 N/A GLN 267.A N LYS 260.A O no hydrogen 2.743 N/A ALA 268.A N GLN 546.A O no hydrogen 2.733 N/A VAL 269.A N LEU 258.A O no hydrogen 2.725 N/A GLY 270.A N LEU 258.A O no hydrogen 3.423 N/A VAL 271.A N VAL 283.A O no hydrogen 2.836 N/A ASN 272.A N LYS 256.A O no hydrogen 2.845 N/A ASN 272.A ND2 ASN 280.A OD1 no hydrogen 2.849 N/A ASN 272.A ND2 ASP 282.A OD1 no hydrogen 2.888 N/A PHE 273.A N PHE 281.A O no hydrogen 2.722 N/A GLY 274.A N MET 253.A O no hydrogen 2.704 N/A THR 275.A N VAL 279.A O no hydrogen 2.864 N/A ASN 276.A N VAL 279.A O no hydrogen 3.151 N/A ALA 278.A N ASN 276.A OD1 no hydrogen 2.902 N/A VAL 279.A N ASN 276.A O no hydrogen 2.865 N/A ASN 280.A ND2 ASN 276.A O no hydrogen 3.026 N/A ASN 280.A ND2 LYS 277.A O no hydrogen 2.795 N/A PHE 281.A N PHE 273.A O no hydrogen 2.670 N/A VAL 283.A N VAL 271.A O no hydrogen 2.958 N/A PHE 284.A N LYS 23.A O no hydrogen 2.811 N/A ALA 285.A N VAL 269.A O no hydrogen 2.720 N/A LYS 286.A N TYR 25.A O no hydrogen 2.649 N/A HIS 287.A N ASP 26.A O no hydrogen 2.802 N/A GLU 288.A N ASP 26.A O no hydrogen 3.161 N/A VAL 289.A N GLY 547.A O no hydrogen 2.761 N/A LEU 290.A N ILE 28.A O no hydrogen 2.633 N/A LEU 291.A N ARG 549.A O no hydrogen 2.686 N/A ALA 292.A N ALA 30.A O no hydrogen 2.724 N/A ALA 293.A N SER 298.A OG no hydrogen 3.059 N/A GLY 294.A N ASP 552.A OD2 no hydrogen 2.677 N/A SER 295.A OG ALA 521.A O no hydrogen 2.572 N/A ILE 297.A N GLY 294.A O no hydrogen 2.884 N/A SER 298.A N GLY 294.A O no hydrogen 2.759 N/A SER 298.A OG GLY 294.A O no hydrogen 3.456 N/A SER 298.A OG ASP 552.A OD2 no hydrogen 2.548 N/A ILE 301.A N ILE 297.A O no hydrogen 2.909 N/A LEU 302.A N SER 298.A O no hydrogen 3.012 N/A GLU 303.A N PRO 299.A O no hydrogen 2.910 N/A TYR 304.A N LEU 300.A O no hydrogen 2.654 N/A SER 305.A N ILE 301.A O no hydrogen 3.080 N/A SER 305.A N LEU 302.A O no hydrogen 3.032 N/A SER 305.A OG ILE 301.A O no hydrogen 2.616 N/A GLY 306.A N GLU 303.A O no hydrogen 2.886 N/A ILE 307.A N LEU 302.A O no hydrogen 2.816 N/A GLY 308.A N LEU 322.A O no hydrogen 2.954 N/A LYS 310.A N ASP 323.A OD2 no hydrogen 2.983 N/A LYS 310.A NZ ASP 314.A OD1 no hydrogen 2.804 N/A LYS 310.A NZ ASP 314.A OD2 no hydrogen 3.067 N/A LEU 313.A N LEU 309.A O no hydrogen 2.963 N/A ASP 314.A N LYS 310.A O no hydrogen 2.748 N/A GLN 315.A N SER 311.A O no hydrogen 3.219 N/A GLN 315.A NE2 SER 311.A O no hydrogen 2.987 N/A ALA 316.A N VAL 312.A O no hydrogen 2.984 N/A ASN 317.A N ASP 314.A O no hydrogen 3.004 N/A VAL 318.A N LEU 313.A O no hydrogen 2.900 N/A GLN 320.A NE2 GLY 308.A O no hydrogen 2.757 N/A GLN 320.A NE2 LEU 322.A O no hydrogen 3.696 N/A GLN 320.A NE2 ASP 323.A OD2 no hydrogen 2.819 N/A LEU 321.A N GLY 306.A O no hydrogen 2.619 N/A LEU 322.A N GLY 306.A O no hydrogen 3.114 N/A LEU 324.A N GLY 308.A O no hydrogen 3.416 N/A VAL 326.A N LEU 324.A O no hydrogen 2.764 N/A GLY 327.A N SER 524.A O no hydrogen 2.736 N/A ASN 329.A N GLY 389.A O no hydrogen 2.749 N/A ASN 329.A ND2 SER 526.A OG no hydrogen 2.979 N/A MET 330.A N GLY 438.A O no hydrogen 3.025 N/A GLN 331.A N VAL 522.A O no hydrogen 2.785 N/A GLN 331.A NE2 PRO 557.A O no hydrogen 3.381 N/A GLN 333.A N ASP 332.A OD1 no hydrogen 2.654 N/A GLN 333.A NE2 LEU 432.A O no hydrogen 2.942 N/A THR 334.A OG1 GLN 468.A OE1 no hydrogen 2.946 N/A THR 335.A N ARG 516.A O no hydrogen 2.691 N/A THR 335.A OG1 ASN 518.A OD1 no hydrogen 2.705 N/A THR 336.A N LEU 429.A O no hydrogen 2.857 N/A THR 336.A OG1 SER 472.A OG no hydrogen 2.735 N/A THR 337.A OG1 ASP 428.A OD1 no hydrogen 2.603 N/A VAL 338.A N PHE 427.A O no hydrogen 2.821 N/A SER 339.A N LEU 493.A O no hydrogen 2.557 N/A SER 340.A N ILE 425.A O no hydrogen 2.768 N/A ARG 341.A N GLY 490.A O no hydrogen 2.689 N/A ARG 341.A NH1 ALA 489.A O no hydrogen 3.037 N/A ALA 342.A N GLY 423.A O no hydrogen 3.011 N/A SER 343.A N TYR 487.A O no hydrogen 2.787 N/A GLY 346.A N SER 343.A O no hydrogen 3.010 N/A ALA 347.A N SER 344.A O no hydrogen 3.035 N/A GLN 349.A N PRO 185.A O no hydrogen 2.906 N/A GLN 349.A NE2 ASP 181.A OD1 no hydrogen 2.831 N/A GLN 349.A NE2 GLN 184.A O no hydrogen 2.759 N/A GLN 351.A NE2 ASP 420.A OD1 no hydrogen 2.697 N/A ALA 352.A N MET 419.A O no hydrogen 2.911 N/A VAL 353.A N SER 217.A O no hydrogen 2.774 N/A PHE 354.A N LEU 417.A O no hydrogen 2.692 N/A PHE 355.A N GLY 215.A O no hydrogen 2.762 N/A ALA 356.A N ALA 415.A O no hydrogen 2.792 N/A ASN 357.A N GLU 360.A OE1 no hydrogen 2.814 N/A ASN 357.A ND2 ASP 411.A OD1 no hydrogen 2.668 N/A GLU 360.A N ASN 357.A OD1 no hydrogen 2.843 N/A THR 361.A N ASN 357.A O no hydrogen 2.887 N/A THR 361.A OG1 ASN 357.A O no hydrogen 2.846 N/A PHE 362.A N PHE 358.A O no hydrogen 2.902 N/A GLY 363.A N THR 359.A O no hydrogen 2.644 N/A TYR 365.A N PHE 362.A O no hydrogen 2.855 N/A ALA 366.A N GLY 363.A O no hydrogen 2.980 N/A GLN 368.A NE2 ASP 364.A O no hydrogen 3.304 N/A ALA 369.A N TYR 365.A O no hydrogen 2.809 N/A ARG 370.A N ALA 366.A O no hydrogen 2.697 N/A ASP 371.A N PRO 367.A O no hydrogen 2.905 N/A LEU 372.A N GLN 368.A O no hydrogen 3.092 N/A LEU 373.A N ALA 369.A O no hydrogen 3.027 N/A ASN 374.A N ARG 370.A O no hydrogen 2.900 N/A THR 375.A N ASP 371.A O no hydrogen 2.960 N/A THR 375.A N LEU 372.A O no hydrogen 3.216 N/A THR 375.A OG1 ASP 371.A O no hydrogen 2.713 N/A LYS 376.A N LEU 372.A O no hydrogen 2.786 N/A LYS 376.A NZ GLU 462.A OE2 no hydrogen 2.598 N/A GLN 379.A NE2 GLU 383.A OE2 no hydrogen 2.778 N/A TRP 380.A N LYS 376.A O no hydrogen 2.720 N/A TRP 380.A NE1 GLU 462.A OE2 no hydrogen 2.809 N/A ALA 381.A N LEU 377.A O no hydrogen 2.805 N/A GLU 382.A N ASP 378.A O no hydrogen 2.921 N/A GLU 383.A N GLN 379.A O no hydrogen 2.865 N/A THR 384.A N TRP 380.A O no hydrogen 2.710 N/A THR 384.A OG1 TRP 380.A O no hydrogen 2.846 N/A THR 384.A OG1 TYR 400.A OH no hydrogen 2.684 N/A VAL 385.A N ALA 381.A O no hydrogen 2.980 N/A ALA 386.A N GLU 382.A O no hydrogen 2.816 N/A ARG 387.A N GLU 383.A O no hydrogen 3.007 N/A GLY 388.A N VAL 385.A O no hydrogen 3.000 N/A GLY 389.A N THR 384.A O no hydrogen 2.890 N/A ALA 395.A N ASN 392.A OD1 no hydrogen 3.066 N/A LEU 396.A N ASN 392.A O no hydrogen 2.881 N/A LYS 397.A N VAL 393.A O no hydrogen 2.809 N/A LYS 397.A NZ ASP 378.A OD1 no hydrogen 2.775 N/A LYS 397.A NZ ASP 378.A OD2 no hydrogen 3.006 N/A VAL 398.A N THR 394.A O no hydrogen 3.325 N/A VAL 398.A N ALA 395.A O no hydrogen 3.166 N/A GLN 399.A N ALA 395.A O no hydrogen 3.388 N/A GLN 399.A NE2 ASN 329.A OD1 no hydrogen 2.840 N/A TYR 400.A N LEU 396.A O no hydrogen 2.893 N/A TYR 400.A OH THR 384.A OG1 no hydrogen 2.684 N/A TYR 400.A OH PHE 435.A O no hydrogen 2.465 N/A GLU 401.A N LYS 397.A O no hydrogen 2.749 N/A ASN 402.A N VAL 398.A O no hydrogen 2.863 N/A ASN 402.A ND2 SER 125.A OG no hydrogen 3.364 N/A TYR 403.A N GLN 399.A O no hydrogen 2.870 N/A TYR 403.A OH GLN 331.A OE1 no hydrogen 2.466 N/A ARG 404.A N TYR 400.A O no hydrogen 2.745 N/A ARG 404.A NH1 LEU 373.A O no hydrogen 2.742 N/A ASN 405.A N GLU 401.A O no hydrogen 2.846 N/A TRP 406.A N ASN 402.A O no hydrogen 2.941 N/A LEU 407.A N TYR 403.A O no hydrogen 2.983 N/A LEU 408.A N ARG 404.A O no hydrogen 2.834 N/A ASP 409.A N ASN 405.A O no hydrogen 2.774 N/A GLU 410.A N ASN 405.A O no hydrogen 3.012 N/A GLU 410.A N TRP 406.A O no hydrogen 3.236 N/A VAL 412.A N TRP 406.A O no hydrogen 3.007 N/A PHE 414.A N ALA 356.A O no hydrogen 2.600 N/A ALA 415.A N ALA 356.A O no hydrogen 2.950 N/A GLU 416.A N TRP 430.A O no hydrogen 2.844 N/A LEU 417.A N PHE 354.A O no hydrogen 2.767 N/A PHE 418.A N ASP 428.A O no hydrogen 2.638 N/A MET 419.A N ALA 352.A O no hydrogen 2.567 N/A ASP 420.A N ASN 426.A O no hydrogen 2.665 N/A THR 421.A OG1 GLY 348.A O no hydrogen 3.325 N/A THR 421.A OG1 GLY 350.A O no hydrogen 2.653 N/A GLU 422.A N GLY 348.A O no hydrogen 2.897 N/A LYS 424.A N THR 421.A O no hydrogen 3.063 N/A ILE 425.A N SER 340.A O no hydrogen 2.739 N/A ASN 426.A N ASP 420.A O no hydrogen 2.918 N/A ASN 426.A ND2 SER 339.A OG no hydrogen 2.657 N/A PHE 427.A N VAL 338.A O no hydrogen 2.744 N/A ASP 428.A N PHE 418.A O no hydrogen 2.854 N/A LEU 429.A N THR 336.A O no hydrogen 2.803 N/A TRP 430.A N GLU 416.A O no hydrogen 2.914 N/A ASP 431.A N GLN 468.A OE1 no hydrogen 2.832 N/A LEU 432.A N PHE 414.A O no hydrogen 2.749 N/A ILE 433.A N ASP 431.A OD1 no hydrogen 2.906 N/A PHE 435.A N ASP 464.A OD1 no hydrogen 2.714 N/A PHE 435.A N ASP 464.A OD2 no hydrogen 3.166 N/A THR 436.A N ASP 464.A OD2 no hydrogen 2.745 N/A THR 436.A OG1 LYS 457.A O no hydrogen 2.565 N/A ARG 437.A NE ASN 329.A OD1 no hydrogen 3.043 N/A ARG 437.A NE GLN 399.A OE1 no hydrogen 2.807 N/A ARG 437.A NH1 PRO 434.A O no hydrogen 2.786 N/A ARG 437.A NH1 THR 436.A O no hydrogen 2.810 N/A ARG 437.A NH2 GLN 399.A OE1 no hydrogen 2.725 N/A GLY 438.A N MET 330.A O no hydrogen 2.619 N/A SER 439.A N ASP 455.A O no hydrogen 2.735 N/A VAL 440.A N GLY 327.A O no hydrogen 2.779 N/A HIS 441.A N ALA 453.A O no hydrogen 2.997 N/A HIS 441.A ND1 GLU 303.A OE2 no hydrogen 2.473 N/A ILE 442.A N GLU 303.A OE1 no hydrogen 2.691 N/A LEU 443.A N GLN 451.A O no hydrogen 2.734 N/A SER 444.A OG GLN 451.A OE1 no hydrogen 2.759 N/A TYR 448.A N ASP 446.A OD1 no hydrogen 3.098 N/A TYR 448.A OH ASN 272.A OD1 no hydrogen 2.510 N/A LEU 449.A N ASP 446.A O no hydrogen 3.217 N/A TRP 450.A N PRO 447.A O no hydrogen 2.917 N/A ALA 453.A N HIS 441.A O no hydrogen 2.716 N/A ASP 455.A N SER 439.A O no hydrogen 2.695 N/A LYS 457.A N ASP 455.A OD1 no hydrogen 2.943 N/A LYS 457.A NZ ARG 387.A O no hydrogen 3.156 N/A LYS 457.A NZ ASP 455.A OD2 no hydrogen 2.703 N/A LEU 460.A N LYS 457.A O no hydrogen 3.292 N/A PHE 463.A N ASN 461.A OD1 no hydrogen 2.824 N/A ASP 464.A N ASN 461.A OD1 no hydrogen 3.245 N/A LEU 466.A N GLU 462.A O no hydrogen 2.992 N/A GLY 467.A N PHE 463.A O no hydrogen 2.733 N/A GLN 468.A N ASP 464.A O no hydrogen 2.924 N/A GLN 468.A NE2 THR 336.A OG1 no hydrogen 2.770 N/A GLN 468.A NE2 LEU 429.A O no hydrogen 2.899 N/A ALA 469.A N LEU 465.A O no hydrogen 2.800 N/A ALA 470.A N LEU 466.A O no hydrogen 2.853 N/A ALA 471.A N GLY 467.A O no hydrogen 2.906 N/A SER 472.A N GLN 468.A O no hydrogen 2.904 N/A SER 472.A OG THR 336.A OG1 no hydrogen 2.735 N/A SER 472.A OG GLN 468.A O no hydrogen 2.644 N/A LYS 473.A N ALA 469.A O no hydrogen 2.868 N/A LYS 473.A NZ ASP 477.A OD2 no hydrogen 2.749 N/A LEU 474.A N ALA 470.A O no hydrogen 2.834 N/A ALA 475.A N ALA 471.A O no hydrogen 2.915 N/A ARG 476.A N SER 472.A O no hydrogen 3.069 N/A ARG 476.A NE GLU 491.A OE1 no hydrogen 2.744 N/A ARG 476.A NH1 VAL 499.A O no hydrogen 2.673 N/A ARG 476.A NH2 GLU 491.A OE1 no hydrogen 3.495 N/A ARG 476.A NH2 GLU 491.A OE2 no hydrogen 2.549 N/A ARG 476.A NH2 LEU 498.A O no hydrogen 2.964 N/A ASP 477.A N LYS 473.A O no hydrogen 2.717 N/A LEU 478.A N LEU 474.A O no hydrogen 2.752 N/A THR 479.A N ALA 475.A O no hydrogen 3.185 N/A THR 479.A OG1 ALA 475.A O no hydrogen 2.644 N/A GLN 481.A N LEU 478.A O no hydrogen 3.210 N/A GLN 481.A NE2 ASP 477.A O no hydrogen 3.273 N/A MET 484.A N THR 196.A OG1 no hydrogen 3.157 N/A LYS 485.A N GLN 481.A O no hydrogen 3.300 N/A LYS 485.A N GLY 482.A O no hydrogen 3.220 N/A TYR 487.A N MET 484.A O no hydrogen 2.864 N/A PHE 488.A N LYS 485.A O no hydrogen 3.001 N/A ALA 489.A N ARG 341.A O no hydrogen 2.837 N/A THR 492.A N SER 339.A O no hydrogen 2.718 N/A THR 492.A OG1 SER 339.A O no hydrogen 3.224 N/A LEU 493.A N SER 339.A O no hydrogen 2.980 N/A GLY 495.A N GLU 491.A OE2 no hydrogen 2.714 N/A ASN 497.A N PRO 494.A O no hydrogen 2.956 N/A LEU 498.A N GLY 495.A O no hydrogen 3.367 N/A GLN 500.A NE2 GLY 495.A O no hydrogen 3.101 N/A ALA 502.A N VAL 499.A O no hydrogen 3.013 N/A THR 503.A N GLN 506.A OE1 no hydrogen 2.804 N/A THR 503.A OG1 GLN 506.A OE1 no hydrogen 3.438 N/A GLN 506.A N THR 503.A OG1 no hydrogen 3.174 N/A TRP 507.A N THR 503.A O no hydrogen 2.903 N/A SER 508.A N LEU 504.A O no hydrogen 2.821 N/A SER 508.A OG LEU 504.A O no hydrogen 3.005 N/A ASP 509.A N SER 505.A O no hydrogen 3.199 N/A TYR 510.A N GLN 506.A O no hydrogen 2.979 N/A VAL 511.A N TRP 507.A O no hydrogen 2.736 N/A LEU 512.A N SER 508.A O no hydrogen 2.912 N/A GLN 513.A N ASP 509.A O no hydrogen 3.452 N/A GLN 513.A N TYR 510.A O no hydrogen 3.075 N/A ASN 514.A N TYR 510.A O no hydrogen 2.896 N/A ASN 514.A N VAL 511.A O no hydrogen 3.236 N/A ASN 514.A ND2 TYR 510.A O no hydrogen 2.857 N/A ARG 516.A N THR 335.A O no hydrogen 2.880 N/A ARG 516.A NH1 PRO 517.A O no hydrogen 2.778 N/A ASN 518.A N GLN 333.A O no hydrogen 2.724 N/A ASN 518.A ND2 GLN 333.A OE1 no hydrogen 2.897 N/A TRP 519.A N ASP 332.A OD2 no hydrogen 2.937 N/A TRP 519.A NE1 ASN 97.A O no hydrogen 2.949 N/A HIS 520.A N ASP 332.A OD1 no hydrogen 2.761 N/A HIS 520.A ND1 ASN 518.A O no hydrogen 2.568 N/A VAL 522.A N GLN 331.A O no hydrogen 2.980 N/A SER 523.A OG PRO 556.A O no hydrogen 2.598 N/A SER 524.A OG SER 295.A O no hydrogen 2.710 N/A CYS 525.A N SER 554.A O no hydrogen 2.846 N/A SER 526.A OG SER 523.A O no hydrogen 3.076 N/A MET 527.A N ILE 555.A O no hydrogen 2.601 N/A MET 528.A N VAL 536.A O no hydrogen 3.260 N/A SER 529.A N PHE 130.A O no hydrogen 3.030 N/A LEU 532.A N SER 529.A O no hydrogen 2.988 N/A LEU 532.A N SER 529.A OG no hydrogen 3.259 N/A GLY 533.A N ARG 530.A O no hydrogen 2.881 N/A GLY 534.A N SER 529.A O no hydrogen 3.014 N/A VAL 535.A N SER 526.A O no hydrogen 2.689 N/A VAL 536.A N SER 526.A O no hydrogen 3.125 N/A ASP 537.A N LYS 541.A O no hydrogen 2.952 N/A THR 539.A N ASP 537.A OD1 no hydrogen 2.901 N/A THR 539.A OG1 ASP 537.A OD1 no hydrogen 2.770 N/A ALA 540.A N ASP 537.A O no hydrogen 2.810 N/A LYS 541.A N ASP 537.A OD1 no hydrogen 2.950 N/A LYS 541.A NZ ASP 582.A OD2 no hydrogen 2.535 N/A VAL 542.A N LEU 548.A O no hydrogen 2.887 N/A TYR 543.A N VAL 535.A O no hydrogen 2.938 N/A TYR 543.A OH MET 528.A O no hydrogen 2.673 N/A THR 545.A N VAL 542.A O no hydrogen 3.183 N/A THR 545.A OG1 VAL 542.A O no hydrogen 2.670 N/A GLN 546.A N PRO 266.A O no hydrogen 2.913 N/A ARG 549.A N VAL 289.A O no hydrogen 3.017 N/A ARG 549.A NE GLU 288.A OE1 no hydrogen 2.446 N/A ARG 549.A NH1 THR 539.A O no hydrogen 2.694 N/A ARG 549.A NH2 GLU 288.A OE1 no hydrogen 3.233 N/A ARG 549.A NH2 GLU 288.A OE2 no hydrogen 2.701 N/A ARG 549.A NH2 ASP 582.A OD2 no hydrogen 2.715 N/A VAL 550.A N ALA 540.A O no hydrogen 2.967 N/A ILE 551.A N LEU 291.A O no hydrogen 2.768 N/A SER 554.A N ASP 552.A OD1 no hydrogen 2.891 N/A SER 554.A OG ASP 552.A OD1 no hydrogen 2.585 N/A ILE 555.A N ASP 552.A O no hydrogen 3.018 N/A THR 558.A OG1 GLN 559.A O no hydrogen 2.753 N/A GLN 559.A N TYR 403.A OH no hydrogen 2.777 N/A GLN 559.A NE2 GLN 331.A O no hydrogen 2.925 N/A GLN 559.A NE2 HIS 520.A O no hydrogen 2.727 N/A VAL 560.A N GLN 559.A OE1 no hydrogen 3.046 N/A SER 561.A N GLN 122.A OE1 no hydrogen 2.843 N/A SER 561.A OG ALA 413.A O no hydrogen 2.541 N/A SER 562.A OG THR 116.A OG1 no hydrogen 3.077 N/A SER 562.A OG HIS 563.A O no hydrogen 2.605 N/A HIS 563.A N THR 116.A OG1 no hydrogen 3.012 N/A HIS 563.A NE2 GLU 416.A OE2 no hydrogen 2.503 N/A THR 566.A OG1 THR 116.A O no hydrogen 2.526 N/A THR 566.A OG1 HIS 563.A O no hydrogen 3.530 N/A PHE 568.A N VAL 564.A O no hydrogen 2.684 N/A TYR 569.A N MET 565.A O no hydrogen 2.722 N/A GLY 570.A N THR 566.A O no hydrogen 2.969 N/A MET 571.A N ILE 567.A O no hydrogen 2.672 N/A ALA 572.A N PHE 568.A O no hydrogen 2.830 N/A LEU 573.A N TYR 569.A O no hydrogen 2.875 N/A LYS 574.A N GLY 570.A O no hydrogen 2.888 N/A VAL 575.A N MET 571.A O no hydrogen 2.775 N/A ALA 576.A N ALA 572.A O no hydrogen 2.818 N/A ASP 577.A N LEU 573.A O no hydrogen 3.030 N/A ALA 578.A N LYS 574.A O no hydrogen 2.956 N/A ILE 579.A N VAL 575.A O no hydrogen 2.768 N/A LEU 580.A N ALA 576.A O no hydrogen 2.806 N/A ASP 581.A N ASP 577.A O no hydrogen 2.792 N/A ASP 582.A N ALA 578.A O no hydrogen 3.106 N/A TYR 583.A N ILE 579.A O no hydrogen 2.889 N/A ALA 584.A N LEU 580.A O no hydrogen 2.923 N/A LYS 585.A N ASP 581.A O no hydrogen 3.178 N/A LYS 585.A NZ ASP 581.A O no hydrogen 3.261 N/A SER 586.A N TYR 583.A O no hydrogen 3.211 N/A SER 586.A OG TYR 583.A O no hydrogen 2.697 N/A ALA 587.A N ALA 584.A O no hydrogen 3.332 N/A