Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sqr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 2.A N GLY 13.A O no hydrogen 3.065 N/A ASN 4.A ND2 CYS 11.A O no hydrogen 2.901 N/A SER 5.A N SER 8.A O no hydrogen 3.405 N/A SER 5.A OG THR 7.A OG1 no hydrogen 3.370 N/A SER 5.A OG SER 8.A OG no hydrogen 2.662 N/A THR 7.A N SER 5.A OG no hydrogen 3.058 N/A THR 7.A OG1 SER 5.A OG no hydrogen 3.370 N/A SER 8.A N SER 5.A O no hydrogen 2.910 N/A SER 8.A OG ALA 3.A O no hydrogen 2.927 N/A SER 8.A OG SER 5.A OG no hydrogen 2.662 N/A ARG 9.A N ASP 155.A OD1 no hydrogen 2.804 N/A ARG 9.A NE TYR 156.A O no hydrogen 3.037 N/A ARG 9.A NH1 ASN 4.A OD1 no hydrogen 2.737 N/A ARG 9.A NH2 TYR 156.A O no hydrogen 3.024 N/A CYS 11.A N SER 8.A O no hydrogen 3.105 N/A TRP 12.A N TYR 15.A O no hydrogen 2.813 N/A GLY 13.A N CYS 2.A O no hydrogen 2.606 N/A TYR 15.A N TRP 12.A O no hydrogen 3.188 N/A SER 16.A N THR 19.A OG1 no hydrogen 2.855 N/A ILE 17.A N SER 10.A O no hydrogen 2.950 N/A ASP 18.A N SER 16.A OG no hydrogen 2.783 N/A THR 19.A N SER 16.A O no hydrogen 2.936 N/A THR 19.A OG1 SER 16.A O no hydrogen 3.113 N/A TYR 22.A N ASN 20.A OD1 no hydrogen 2.896 N/A TYR 22.A OH ASP 430.A OD2 no hydrogen 2.579 N/A ASP 23.A N ASN 20.A O no hydrogen 2.976 N/A VAL 24.A N ASN 20.A O no hydrogen 2.868 N/A VAL 29.A N ASP 69.A OD1 no hydrogen 2.843 N/A ARG 31.A N ASN 70.A O no hydrogen 2.756 N/A ARG 31.A NE ASP 69.A OD2 no hydrogen 2.516 N/A ARG 31.A NH2 ASP 69.A OD2 no hydrogen 3.130 N/A TYR 33.A N ILE 72.A O no hydrogen 2.746 N/A TYR 33.A OH.A ILE 64.A O no hydrogen 2.957 N/A TYR 33.A OH.B ILE 64.A O no hydrogen 3.047 N/A LEU 35.A N HIS 74.A O no hydrogen 2.690 N/A SER 36.A N ASN 55.A OD1 no hydrogen 2.807 N/A SER 36.A OG GLU 38.A OE2 no hydrogen 2.646 N/A VAL 37.A N THR 76.A O no hydrogen 2.820 N/A GLU 38.A N THR 53.A O no hydrogen 2.649 N/A SER 40.A N ALA 51.A O no hydrogen 2.777 N/A SER 40.A OG THR 53.A OG1 no hydrogen 2.695 N/A ILE 42.A N ARG 49.A O no hydrogen 2.933 N/A THR 43.A OG1 THR 48.A OG1 no hydrogen 2.746 N/A TYR 47.A N ASP 45.A OD1 no hydrogen 3.107 N/A TYR 47.A OH ASP 206.A OD2 no hydrogen 2.526 N/A THR 48.A N ASN 208.A O no hydrogen 2.828 N/A THR 48.A OG1 THR 43.A OG1 no hydrogen 2.746 N/A ARG 49.A N ILE 42.A O no hydrogen 2.952 N/A ARG 49.A NE SER 50.A O no hydrogen 2.651 N/A ARG 49.A NH1 ALA 169.A O no hydrogen 2.827 N/A ARG 49.A NH2 SER 50.A O no hydrogen 2.911 N/A ARG 49.A NH2 ASP 140.A OD1 no hydrogen 2.967 N/A ALA 51.A N SER 40.A O no hydrogen 2.870 N/A MET 52.A N ASP 140.A O no hydrogen 2.905 N/A THR 53.A N GLU 38.A O no hydrogen 2.869 N/A THR 53.A OG1 SER 40.A OG no hydrogen 2.695 N/A ASN 55.A N SER 36.A O no hydrogen 2.812 N/A GLY 56.A N THR 53.A OG1 no hydrogen 2.896 N/A THR 57.A OG1 PRO 59.A O no hydrogen 2.715 N/A GLY 60.A N PHE 143.A O no hydrogen 2.728 N/A ILE 63.A N PRO 145.A O no hydrogen 3.036 N/A ILE 64.A N TYR 33.A OH.A no hydrogen 3.159 N/A ALA 65.A N ILE 147.A O no hydrogen 2.970 N/A ASP 66.A N ASP 69.A OD2 no hydrogen 2.800 N/A TRP 67.A N ASN 149.A O no hydrogen 2.909 N/A GLY 68.A N VAL 122.A O no hydrogen 2.742 N/A ASP 69.A N ASP 66.A O no hydrogen 2.899 N/A ASN 70.A N VAL 29.A O no hydrogen 2.914 N/A LEU 71.A N PHE 120.A O no hydrogen 2.772 N/A ILE 72.A N ARG 31.A O no hydrogen 2.858 N/A ILE 73.A N TYR 118.A O no hydrogen 2.790 N/A HIS 74.A N TYR 33.A O no hydrogen 2.818 N/A HIS 74.A ND1 THR 117.A OG1 no hydrogen 2.812 N/A HIS 74.A NE2 GLU 32.A OE2 no hydrogen 2.557 N/A VAL 75.A N LEU 116.A O no hydrogen 2.851 N/A THR 76.A N LEU 35.A O no hydrogen 2.871 N/A THR 76.A OG1 THR 115.A OG1 no hydrogen 2.604 N/A ASN 77.A N ASP 114.A O no hydrogen 2.849 N/A ASN 77.A ND2 ASN 82.A O no hydrogen 2.815 N/A ASN 77.A ND2 ILE 110.A O no hydrogen 2.858 N/A ASN 78.A N VAL 37.A O no hydrogen 2.808 N/A ASN 78.A ND2 SER 36.A OG no hydrogen 2.728 N/A LEU 79.A N ASN 77.A OD1 no hydrogen 2.865 N/A ASN 82.A ND2 HIS 81.A O no hydrogen 2.783 N/A THR 84.A N ILE 110.A O no hydrogen 3.155 N/A THR 84.A OG1 GLN 137.A OE1 no hydrogen 2.743 N/A SER 85.A OG GLY 101.A O no hydrogen 2.658 N/A ILE 86.A N TYR 118.A OH no hydrogen 2.997 N/A HIS 87.A N HIS 131.A O no hydrogen 2.878 N/A HIS 87.A ND1 ASP 100.A O no hydrogen 2.695 N/A HIS 89.A N TRP 129.A O no hydrogen 2.852 N/A HIS 89.A NE2 ASP 459.A OD1 no hydrogen 2.799 N/A ILE 91.A N TRP 88.A O no hydrogen 3.081 N/A ARG 92.A N GLN 124.A OE1 no hydrogen 2.897 N/A ARG 92.A NH1 TYR 22.A O no hydrogen 2.884 N/A ARG 92.A NH2 ASP 476.A OD2 no hydrogen 3.115 N/A SER 96.A N GLN 93.A O no hydrogen 2.911 N/A SER 96.A OG GLN 93.A OE1 no hydrogen 2.604 N/A GLU 98.A N GLU 98.A OE1 no hydrogen 2.732 N/A TYR 99.A N SER 96.A O no hydrogen 2.828 N/A TYR 99.A OH ASP 512.A OD1 no hydrogen 2.437 N/A ASP 100.A N LEU 97.A O no hydrogen 3.063 N/A VAL 102.A N THR 106.A OG1 no hydrogen 2.962 N/A GLY 104.A N GLN 107.A O no hydrogen 2.885 N/A VAL 105.A N VAL 102.A O no hydrogen 3.040 N/A THR 106.A N VAL 102.A O no hydrogen 2.796 N/A THR 106.A OG1 VAL 102.A O no hydrogen 3.340 N/A GLN 107.A NE2 CYS 108.A O no hydrogen 2.800 N/A CYS 108.A SG TRP 378.A O no hydrogen 3.276 N/A ILE 110.A N THR 84.A O no hydrogen 2.838 N/A GLY 113.A N ASN 77.A O no hydrogen 2.631 N/A ASP 114.A N ALA 111.A O no hydrogen 2.838 N/A THR 115.A N ASP 114.A OD1 no hydrogen 2.787 N/A THR 115.A OG1 THR 76.A OG1 no hydrogen 2.604 N/A LEU 116.A N VAL 75.A O no hydrogen 2.845 N/A THR 117.A OG1 HIS 74.A ND1 no hydrogen 2.812 N/A TYR 118.A N ILE 73.A O no hydrogen 2.851 N/A TYR 118.A OH GLN 107.A OE1 no hydrogen 2.618 N/A PHE 120.A N LEU 71.A O no hydrogen 3.132 N/A GLN 121.A NE2 GLY 68.A O no hydrogen 2.769 N/A VAL 122.A N ASP 69.A O no hydrogen 2.908 N/A GLN 124.A NE2 GLY 90.A O no hydrogen 2.975 N/A GLY 126.A N ILE 148.A O no hydrogen 2.851 N/A THR 127.A OG1 ASP 275.A OD1 no hydrogen 3.053 N/A THR 127.A OG1 ASP 275.A OD2 no hydrogen 2.772 N/A THR 128.A N LEU 146.A O no hydrogen 2.887 N/A THR 128.A OG1 HIS 89.A O no hydrogen 2.481 N/A TYR 130.A N GLY 144.A O no hydrogen 2.846 N/A TYR 130.A OH PRO 61.A O no hydrogen 2.661 N/A HIS 131.A N HIS 87.A O no hydrogen 2.863 N/A HIS 131.A ND1 SER 132.A O no hydrogen 2.804 N/A SER 132.A N LEU 142.A O no hydrogen 2.925 N/A SER 132.A OG SER 85.A O no hydrogen 3.491 N/A SER 132.A OG PHE 134.A O no hydrogen 3.547 N/A SER 132.A OG GLN 137.A OE1 no hydrogen 2.667 N/A HIS 133.A N SER 85.A O no hydrogen 2.808 N/A HIS 133.A ND1 HIS 133.A O no hydrogen 3.023 N/A HIS 133.A ND1 ILE 539.A OXT no hydrogen 2.966 N/A HIS 133.A NE2 HIS 484.A NE2 no hydrogen 3.149 N/A PHE 134.A N SER 132.A OG no hydrogen 2.905 N/A SER 135.A OG ASP 536.A OD2 no hydrogen 2.654 N/A LEU 136.A N SER 135.A OG no hydrogen 2.721 N/A GLN 137.A N PHE 134.A O no hydrogen 3.275 N/A GLN 137.A NE2 ASN 82.A OD1 no hydrogen 2.935 N/A GLN 137.A NE2 GLY 83.A O no hydrogen 2.886 N/A TYR 138.A OH GLY 234.A O no hydrogen 2.983 N/A TYR 138.A OH HIS 486.A ND1 no hydrogen 3.361 N/A TYR 138.A OH HIS 486.A O no hydrogen 2.983 N/A GLY 139.A N LEU 136.A O no hydrogen 2.796 N/A ASP 140.A N GLN 137.A O no hydrogen 2.933 N/A GLY 141.A N TYR 138.A O no hydrogen 3.169 N/A PHE 143.A N GLY 141.A O no hydrogen 2.927 N/A GLY 144.A N TYR 130.A O no hydrogen 2.907 N/A LEU 146.A N THR 128.A O no hydrogen 2.911 N/A ILE 147.A N ILE 63.A O no hydrogen 2.893 N/A ILE 148.A N GLY 126.A O no hydrogen 2.908 N/A ASN 149.A N ALA 65.A O no hydrogen 2.784 N/A ALA 152.A N ARG 9.A O no hydrogen 2.777 N/A THR 153.A OG1 ILE 251.A O no hydrogen 3.101 N/A THR 153.A OG1 ILE 258.A O no hydrogen 2.931 N/A ASP 157.A N LYS 225.A O no hydrogen 2.833 N/A GLU 158.A N LYS 225.A O no hydrogen 3.021 N/A VAL 160.A N ARG 227.A O no hydrogen 2.961 N/A GLY 161.A N ASP 159.A OD1 no hydrogen 2.977 N/A ILE 163.A N ARG 229.A O no hydrogen 2.746 N/A PHE 164.A N ASN 194.A OD1 no hydrogen 3.123 N/A LEU 165.A N ILE 231.A O no hydrogen 2.815 N/A GLN 166.A N LEU 192.A O no hydrogen 3.159 N/A GLN 166.A NE2 ASP 167.A O no hydrogen 3.328 N/A TRP 168.A N ASN 190.A O no hydrogen 2.857 N/A HIS 170.A N GLU 189.A OE1 no hydrogen 2.839 N/A HIS 170.A NE2 ASP 45.A OD2 no hydrogen 2.544 N/A SER 172.A OG ASP 140.A OD2 no hydrogen 2.478 N/A VAL 173.A N ASP 140.A OD1 no hydrogen 2.794 N/A PHE 174.A N SER 172.A OG no hydrogen 3.128 N/A GLU 175.A N SER 172.A O no hydrogen 2.884 N/A ILE 176.A N VAL 173.A O no hydrogen 3.054 N/A TRP 177.A NE1 ASP 535.A O no hydrogen 3.056 N/A ALA 180.A N ILE 176.A O no hydrogen 2.761 N/A ARG 181.A N TRP 177.A O no hydrogen 2.758 N/A LEU 182.A N THR 179.A O no hydrogen 3.015 N/A GLY 183.A N ALA 180.A O no hydrogen 2.986 N/A ASN 190.A N TRP 168.A O no hydrogen 2.953 N/A ASN 190.A ND2 ASP 45.A OD2 no hydrogen 2.937 N/A ASN 190.A ND2 THR 198.A O no hydrogen 2.953 N/A LEU 192.A N GLN 166.A O no hydrogen 2.925 N/A MET 193.A N THR 196.A O no hydrogen 2.874 N/A ASN 194.A N PHE 164.A O no hydrogen 2.729 N/A THR 196.A N MET 193.A O no hydrogen 3.136 N/A THR 196.A OG1 PRO 44.A O no hydrogen 3.196 N/A THR 196.A OG1 LYS 214.A O no hydrogen 2.594 N/A ASN 197.A ND2 THR 191.A O no hydrogen 2.992 N/A ASN 197.A ND2 ASN 305.A O no hydrogen 2.774 N/A THR 198.A N ASN 197.A OD1 no hydrogen 2.710 N/A THR 198.A OG1 ASN 197.A OD1 no hydrogen 3.269 N/A CYS 201.A SG GLY 46.A O no hydrogen 3.601 N/A SER 202.A N ASP 200.A OD1 no hydrogen 2.849 N/A SER 202.A OG ASP 200.A OD1 no hydrogen 2.522 N/A SER 204.A N CYS 201.A O no hydrogen 2.943 N/A ASP 206.A N SER 204.A OG no hydrogen 2.832 N/A ASN 208.A N ASP 206.A OD1 no hydrogen 2.840 N/A CYS 209.A N ASP 206.A O no hydrogen 2.991 N/A GLY 211.A N GLY 46.A O no hydrogen 2.772 N/A LYS 215.A NZ ASN 197.A OD1 no hydrogen 2.789 N/A LYS 215.A NZ THR 198.A OG1 no hydrogen 3.392 N/A LYS 215.A NZ ASN 305.A OD1.B no hydrogen 3.108 N/A LYS 215.A NZ THR 307.A OG1 no hydrogen 2.776 N/A LEU 218.A N ILE 309.A O no hydrogen 2.924 N/A THR 219.A OG1 GLU 217.A OE1 no hydrogen 3.235 N/A THR 219.A OG1 GLU 217.A OE2 no hydrogen 2.469 N/A PHE 220.A N ARG 311.A O no hydrogen 2.811 N/A VAL 221.A N TYR 226.A OH no hydrogen 2.748 N/A GLY 223.A N ALA 280.A O no hydrogen 2.857 N/A THR 224.A N VAL 221.A O no hydrogen 3.008 N/A THR 224.A OG1 VAL 221.A O no hydrogen 3.092 N/A LYS 225.A N ASP 157.A OD2 no hydrogen 2.775 N/A TYR 226.A N VAL 278.A O no hydrogen 2.833 N/A ARG 227.A N GLU 158.A O no hydrogen 2.808 N/A ARG 227.A NE ASP 275.A OD2 no hydrogen 2.813 N/A ARG 227.A NH1 TYR 156.A OH no hydrogen 2.894 N/A ARG 227.A NH2 ASP 275.A OD2 no hydrogen 2.888 N/A LEU 228.A N VAL 276.A O no hydrogen 2.897 N/A ARG 229.A N GLY 161.A O no hydrogen 2.950 N/A ARG 229.A NE ASP 159.A OD1 no hydrogen 3.024 N/A ARG 229.A NE ASP 159.A OD2 no hydrogen 3.184 N/A ARG 229.A NH1 THR 127.A OG1 no hydrogen 2.854 N/A ARG 229.A NH2 ASP 159.A OD2 no hydrogen 2.865 N/A LEU 230.A N TYR 274.A O no hydrogen 2.772 N/A ILE 231.A N ILE 163.A O no hydrogen 3.179 N/A ASN 232.A N GLN 272.A O no hydrogen 3.272 N/A ASN 232.A ND2 SER 237.A O no hydrogen 2.916 N/A ASN 232.A ND2 ILE 268.A O no hydrogen 2.867 N/A VAL 233.A N LEU 165.A O no hydrogen 2.905 N/A GLY 234.A N ASN 232.A OD1 no hydrogen 3.111 N/A ILE 235.A N ASP 167.A OD1 no hydrogen 2.752 N/A ASP 236.A N ASP 167.A OD2 no hydrogen 2.760 N/A SER 237.A OG ASN 232.A OD1 no hydrogen 2.976 N/A HIS 238.A NE2 GLU 332.A O no hydrogen 2.986 N/A PHE 239.A N ILE 268.A O no hydrogen 3.229 N/A GLU 240.A N GLY 291.A O no hydrogen 2.842 N/A PHE 241.A N LEU 266.A O no hydrogen 2.741 N/A ALA 242.A N ARG 290.A O no hydrogen 2.901 N/A ASP 244.A N TRP 288.A O no hydrogen 2.990 N/A HIS 246.A N ILE 243.A O no hydrogen 2.986 N/A HIS 246.A ND1 ASP 244.A O no hydrogen 2.840 N/A HIS 246.A NE2 TYR 312.A OH no hydrogen 2.487 N/A LEU 248.A N THR 263.A O no hydrogen 2.913 N/A THR 249.A N ILE 277.A O no hydrogen 2.930 N/A VAL 250.A N TYR 261.A O no hydrogen 2.718 N/A ILE 251.A N ASP 275.A O no hydrogen 2.758 N/A ALA 252.A N ASP 275.A O no hydrogen 3.384 N/A ASN 253.A N VAL 256.A O no hydrogen 2.891 N/A ASP 254.A N ARG 273.A O no hydrogen 2.823 N/A VAL 256.A N ASN 253.A O no hydrogen 2.860 N/A ILE 258.A N ILE 251.A O no hydrogen 3.018 N/A VAL 259.A N VAL 340.A O no hydrogen 2.786 N/A TYR 261.A N VAL 250.A O no hydrogen 3.312 N/A TYR 261.A OH GLU 334.A OE1 no hydrogen 2.613 N/A THR 263.A N LEU 248.A O no hydrogen 2.916 N/A THR 263.A OG1 THR 265.A O no hydrogen 2.659 N/A THR 265.A OG1 GLU 240.A OE2 no hydrogen 2.424 N/A LEU 267.A N GLU 334.A OE2 no hydrogen 2.924 N/A ILE 268.A N PHE 239.A O no hydrogen 2.811 N/A GLY 269.A N GLN 272.A OE1 no hydrogen 2.802 N/A GLY 271.A N ASN 232.A O no hydrogen 2.751 N/A GLN 272.A N GLY 269.A O no hydrogen 3.032 N/A GLN 272.A NE2 ASP 333.A OD2 no hydrogen 3.196 N/A GLN 272.A NE2 VAL 460.A O no hydrogen 2.901 N/A ARG 273.A N ASP 254.A OD1 no hydrogen 2.892 N/A ARG 273.A NE THR 127.A O no hydrogen 2.931 N/A ARG 273.A NH1 GLY 271.A O no hydrogen 2.907 N/A ARG 273.A NH1 ASP 459.A OD1 no hydrogen 2.804 N/A ARG 273.A NH1 ASP 459.A OD2 no hydrogen 3.397 N/A ARG 273.A NH2 ASP 459.A OD2 no hydrogen 2.736 N/A TYR 274.A N LEU 230.A O no hydrogen 2.921 N/A ASP 275.A N ALA 252.A O no hydrogen 3.067 N/A VAL 276.A N LEU 228.A O no hydrogen 3.043 N/A ILE 277.A N THR 249.A O no hydrogen 2.766 N/A VAL 278.A N TYR 226.A O no hydrogen 2.746 N/A ALA 280.A N THR 224.A O no hydrogen 3.036 N/A ALA 282.A N TYR 312.A OH no hydrogen 3.154 N/A ASN 286.A N ASP 285.A OD1 no hydrogen 2.851 N/A ASN 286.A ND2 SER 316.A OG no hydrogen 2.911 N/A TYR 287.A N LEU 310.A O no hydrogen 2.741 N/A TYR 287.A OH ALA 283.A O no hydrogen 2.344 N/A TRP 288.A N SER 322.A OG no hydrogen 2.962 N/A ILE 289.A N GLY 308.A O no hydrogen 2.731 N/A ARG 290.A N ALA 242.A O no hydrogen 2.721 N/A ARG 290.A NE ASP 244.A OD1 no hydrogen 2.749 N/A ARG 290.A NE ASP 244.A OD2 no hydrogen 3.340 N/A ARG 290.A NH2 ASP 244.A OD2 no hydrogen 2.907 N/A GLY 291.A N ALA 306.A O no hydrogen 2.688 N/A ASN 292.A ND2 GLU 240.A O no hydrogen 2.786 N/A TRP 293.A NE1 SER 298.A O no hydrogen 2.822 N/A GLY 294.A N HIS 238.A O no hydrogen 2.781 N/A THR 296.A OG1 GLY 329.A O no hydrogen 3.457 N/A CYS 297.A N GLY 294.A O no hydrogen 2.927 N/A CYS 297.A SG THR 330.A O no hydrogen 3.941 N/A SER 298.A N GLY 294.A O no hydrogen 3.266 N/A SER 298.A OG ASP 236.A O no hydrogen 2.636 N/A ASN 301.A N LEU 188.A O no hydrogen 2.883 N/A ASN 305.A N GLU 302.A O no hydrogen 2.979 N/A ALA 306.A N ALA 303.A O no hydrogen 3.233 N/A THR 307.A N ASN 305.A O no hydrogen 2.892 N/A GLY 308.A N ILE 289.A O no hydrogen 2.760 N/A ILE 309.A N PHE 216.A O no hydrogen 2.850 N/A LEU 310.A N TYR 287.A O no hydrogen 2.798 N/A ARG 311.A N LEU 218.A O no hydrogen 2.882 N/A ARG 311.A NH1 ALA 318.A O no hydrogen 2.737 N/A TYR 312.A N ASP 285.A O no hydrogen 3.276 N/A TYR 312.A OH HIS 246.A NE2 no hydrogen 2.487 N/A SER 315.A N ASP 313.A OD1 no hydrogen 3.027 N/A SER 315.A OG ASP 313.A OD1 no hydrogen 2.804 N/A SER 315.A OG ASP 313.A OD2 no hydrogen 3.364 N/A SER 316.A N ASP 313.A O no hydrogen 2.935 N/A ALA 318.A N SER 316.A OG no hydrogen 3.328 N/A SER 322.A OG ASP 244.A OD2 no hydrogen 2.637 N/A ARG 328.A N GLU 240.A OE2 no hydrogen 2.828 N/A ARG 328.A NE GLU 240.A OE2 no hydrogen 3.119 N/A ARG 328.A NH2 THR 265.A OG1 no hydrogen 2.946 N/A ARG 328.A NH2 GLU 334.A OE2 no hydrogen 2.763 N/A GLY 329.A N GLU 240.A OE1 no hydrogen 2.916 N/A CYS 331.A SG THR 296.A OG1 no hydrogen 3.608 N/A GLU 332.A N THR 330.A OG1 no hydrogen 3.353 N/A SER 338.A N PRO 335.A O no hydrogen 2.923 N/A LEU 339.A N VAL 336.A O no hydrogen 3.026 N/A HIS 342.A N PRO 257.A O no hydrogen 2.953 N/A HIS 342.A NE2 ASP 18.A OD1 no hydrogen 2.523 N/A LEU 345.A N ASN 454.A OD1 no hydrogen 3.103 N/A VAL 347.A N LEU 452.A O no hydrogen 2.829 N/A SER 351.A N TRP 407.A O no hydrogen 2.981 N/A VAL 353.A N VAL 409.A O no hydrogen 2.773 N/A GLU 355.A N VAL 411.A O no hydrogen 2.879 N/A GLN 356.A N ASN 370.A OD1 no hydrogen 2.871 N/A GLN 356.A NE2 GLU 413.A OE2 no hydrogen 3.301 N/A VAL 357.A N GLU 413.A O no hydrogen 2.693 N/A SER 358.A N THR 368.A O no hydrogen 2.939 N/A SER 359.A N SER 358.A OG no hydrogen 2.787 N/A ALA 360.A N THR 366.A O no hydrogen 2.808 N/A THR 362.A N TYR 364.A O no hydrogen 2.979 N/A PHE 365.A N ARG 181.A O no hydrogen 2.784 N/A THR 366.A N ALA 360.A O no hydrogen 2.886 N/A THR 366.A OG1 ALA 360.A O no hydrogen 3.372 N/A TRP 367.A N GLU 493.A O no hydrogen 2.895 N/A TRP 367.A NE1 GLU 493.A OE1 no hydrogen 3.042 N/A THR 368.A N SER 358.A O no hydrogen 2.853 N/A ILE 369.A N SER 372.A O no hydrogen 2.922 N/A ASN 370.A N GLN 356.A O no hydrogen 2.947 N/A SER 372.A N ILE 369.A O no hydrogen 3.057 N/A SER 372.A OG THR 395.A O no hydrogen 3.281 N/A SER 372.A OG ASN 398.A OD1 no hydrogen 2.604 N/A SER 373.A OG TRP 367.A O no hydrogen 2.733 N/A SER 373.A OG GLU 493.A O no hydrogen 3.074 N/A LEU 374.A N GLY 494.A O no hydrogen 3.157 N/A LEU 375.A N GLU 396.A O no hydrogen 2.928 N/A LEU 376.A N SER 537.A O no hydrogen 2.921 N/A ASP 377.A N TYR 397.A OH no hydrogen 2.834 N/A TRP 378.A NE1 GLY 538.A O no hydrogen 2.741 N/A SER 379.A N ASP 377.A OD1 no hydrogen 2.897 N/A SER 379.A OG ASP 377.A OD1 no hydrogen 2.764 N/A SER 379.A OG ASP 377.A OD2 no hydrogen 3.539 N/A SER 380.A N ASP 377.A O no hydrogen 2.898 N/A THR 382.A N GLY 104.A O no hydrogen 3.057 N/A THR 382.A OG1 GLY 104.A O no hydrogen 3.428 N/A THR 382.A OG1 GLN 498.A OE1 no hydrogen 2.652 N/A THR 383.A N VAL 105.A O no hydrogen 2.861 N/A THR 383.A OG1.A VAL 105.A O no hydrogen 2.731 N/A THR 383.A OG1.A SER 480.A OG no hydrogen 3.173 N/A THR 383.A OG1.B VAL 105.A O no hydrogen 2.520 N/A LYS 385.A N PRO 381.A O no hydrogen 3.078 N/A LYS 385.A NZ SER 380.A OG no hydrogen 2.858 N/A ILE 386.A N THR 382.A O no hydrogen 2.833 N/A PHE 387.A N THR 383.A O no hydrogen 2.765 N/A ASN 388.A N LEU 384.A O no hydrogen 2.904 N/A ASN 389.A N ILE 386.A O no hydrogen 2.828 N/A GLU 390.A N LYS 385.A O no hydrogen 2.990 N/A GLU 396.A N GLU 396.A OE1 no hydrogen 2.834 N/A TYR 397.A N PRO 394.A O no hydrogen 2.891 N/A TYR 397.A OH SER 380.A O no hydrogen 2.700 N/A ASN 398.A N THR 395.A O no hydrogen 2.980 N/A ASN 398.A ND2 SER 372.A O no hydrogen 2.959 N/A ASN 398.A ND2 ALA 496.A O no hydrogen 2.915 N/A VAL 400.A N GLN 498.A O no hydrogen 2.772 N/A LEU 402.A N VAL 500.A O no hydrogen 2.808 N/A TRP 407.A N GLY 349.A O no hydrogen 3.150 N/A VAL 408.A N PHE 473.A O no hydrogen 2.880 N/A VAL 409.A N SER 351.A O no hydrogen 2.883 N/A TYR 410.A N ILE 471.A O no hydrogen 2.704 N/A TYR 410.A OH GLU 355.A OE1 no hydrogen 2.748 N/A VAL 411.A N VAL 353.A O no hydrogen 2.827 N/A ILE 412.A N LEU 469.A O no hydrogen 2.823 N/A GLU 413.A N GLU 355.A O no hydrogen 2.859 N/A ASP 414.A N GLY 467.A O no hydrogen 2.833 N/A LEU 415.A N VAL 357.A O no hydrogen 2.823 N/A THR 416.A N ASP 414.A OD1 no hydrogen 2.891 N/A THR 416.A OG1 ASP 414.A OD1 no hydrogen 2.601 N/A PHE 418.A N THR 416.A OG1 no hydrogen 3.084 N/A HIS 422.A N LEU 463.A O no hydrogen 3.010 N/A ILE 424.A N ALA 461.A O no hydrogen 2.701 N/A HIS 425.A N HIS 484.A O no hydrogen 2.820 N/A LEU 426.A N ASP 459.A O no hydrogen 3.123 N/A HIS 427.A N LEU 482.A O no hydrogen 2.908 N/A HIS 427.A ND1 ASP 100.A OD2 no hydrogen 2.780 N/A HIS 429.A NE2 GLU 501.A OE1 no hydrogen 2.648 N/A PHE 431.A N ARG 458.A O no hydrogen 2.782 N/A PHE 432.A N ALA 472.A O no hydrogen 2.707 N/A ILE 433.A N PRO 456.A O no hydrogen 2.762 N/A VAL 434.A N ALA 470.A O no hydrogen 2.924 N/A ALA 435.A N ALA 470.A O no hydrogen 3.256 N/A GLN 436.A NE2 ASP 333.A OD2 no hydrogen 3.000 N/A GLN 436.A NE2 ALA 462.A O no hydrogen 2.842 N/A GLU 437.A N TYR 468.A O no hydrogen 2.961 N/A VAL 440.A N ASP 439.A OD1 no hydrogen 2.836 N/A ASN 442.A N SER 446.A OG no hydrogen 2.903 N/A ASP 444.A N ASN 442.A OD1 no hydrogen 2.850 N/A GLU 445.A N ASN 442.A O no hydrogen 3.055 N/A GLU 445.A N ASN 442.A OD1 no hydrogen 3.097 N/A SER 446.A N ASN 442.A O no hydrogen 2.701 N/A SER 446.A OG ASN 442.A O no hydrogen 3.225 N/A LYS 449.A N SER 446.A O no hydrogen 2.895 N/A PHE 450.A N PRO 447.A O no hydrogen 2.985 N/A ASN 451.A N VAL 434.A O no hydrogen 2.813 N/A ASN 451.A ND2 VAL 453.A O no hydrogen 3.254 N/A ASN 454.A N ASP 346.A OD1 no hydrogen 2.896 N/A ASN 454.A ND2 PRO 341.A O no hydrogen 3.019 N/A ARG 457.A NE TYR 22.A OH no hydrogen 2.776 N/A ARG 457.A NH1 LEU 343.A O no hydrogen 2.870 N/A ARG 457.A NH1 ASN 454.A OD1 no hydrogen 3.555 N/A ARG 457.A NH2 LEU 343.A O no hydrogen 2.733 N/A ARG 458.A N PHE 431.A O no hydrogen 3.049 N/A ARG 458.A NE ASP 254.A OD2 no hydrogen 2.933 N/A ARG 458.A NH1 TYR 274.A OH no hydrogen 2.827 N/A ARG 458.A NH2 ASP 254.A OD1 no hydrogen 2.845 N/A ASP 459.A N ASP 254.A OD2 no hydrogen 2.866 N/A VAL 460.A N ASP 254.A OD2 no hydrogen 2.945 N/A ALA 461.A N ILE 424.A O no hydrogen 2.809 N/A ALA 462.A N ASP 333.A OD2 no hydrogen 2.817 N/A LEU 463.A N HIS 422.A O no hydrogen 2.655 N/A ASN 466.A N ASP 414.A OD2 no hydrogen 2.838 N/A GLY 467.A N PRO 464.A O no hydrogen 2.795 N/A TYR 468.A N GLU 437.A O no hydrogen 2.858 N/A LEU 469.A N ILE 412.A O no hydrogen 2.941 N/A ALA 470.A N ALA 435.A O no hydrogen 2.831 N/A ILE 471.A N TYR 410.A O no hydrogen 2.776 N/A ALA 472.A N PHE 432.A O no hydrogen 2.822 N/A PHE 473.A N VAL 408.A O no hydrogen 2.923 N/A LEU 475.A N GLU 406.A O no hydrogen 2.794 N/A ASN 477.A N GLU 501.A OE2 no hydrogen 2.923 N/A ASN 477.A ND2 ARG 92.A O no hydrogen 2.845 N/A ASN 477.A ND2 GLY 428.A O no hydrogen 2.872 N/A GLY 479.A N GLU 501.A O no hydrogen 2.997 N/A SER 480.A OG THR 383.A OG1.A no hydrogen 3.173 N/A TRP 481.A N PHE 499.A O no hydrogen 2.793 N/A TRP 481.A NE1 ASN 477.A O no hydrogen 2.751 N/A LEU 483.A N MET 497.A O no hydrogen 2.817 N/A HIS 484.A N HIS 425.A O no hydrogen 3.005 N/A HIS 484.A ND1 CYS 485.A O no hydrogen 2.754 N/A CYS 485.A N LEU 495.A O no hydrogen 3.045 N/A CYS 485.A SG HIS 422.A ND1 no hydrogen 3.785 N/A CYS 485.A SG HIS 490.A ND1 no hydrogen 3.785 N/A HIS 486.A N PRO 423.A O no hydrogen 2.752 N/A HIS 486.A ND1 HIS 486.A O no hydrogen 2.895 N/A ALA 488.A N ILE 235.A O no hydrogen 2.967 N/A ALA 491.A N ILE 487.A O no hydrogen 2.886 N/A SER 492.A N ALA 488.A O no hydrogen 2.927 N/A SER 492.A OG ALA 488.A O no hydrogen 3.457 N/A SER 492.A OG ASP 536.A OD2 no hydrogen 2.739 N/A GLU 493.A N TRP 489.A O no hydrogen 2.879 N/A GLY 494.A N ALA 491.A O no hydrogen 2.998 N/A LEU 495.A N HIS 490.A O no hydrogen 2.979 N/A MET 497.A N LEU 483.A O no hydrogen 2.829 N/A GLN 498.A N ASN 398.A O no hydrogen 3.058 N/A GLN 498.A NE2 TYR 397.A O no hydrogen 2.832 N/A PHE 499.A N TRP 481.A O no hydrogen 2.844 N/A VAL 500.A N VAL 400.A O no hydrogen 2.859 N/A GLU 501.A N GLY 479.A O no hydrogen 2.809 N/A SER 502.A N LEU 402.A O no hydrogen 2.817 N/A GLN 503.A NE2 GLU 390.A O no hydrogen 2.688 N/A SER 505.A N SER 502.A O no hydrogen 2.757 N/A ILE 506.A N GLN 503.A O no hydrogen 3.213 N/A ASP 512.A N LYS 509.A O no hydrogen 2.984 N/A THR 513.A N LYS 509.A O no hydrogen 2.937 N/A THR 513.A OG1 LYS 509.A O no hydrogen 3.235 N/A ALA 514.A N MET 510.A O no hydrogen 2.910 N/A ILE 515.A N THR 511.A O no hydrogen 3.111 N/A PHE 516.A N ASP 512.A O no hydrogen 2.938 N/A GLU 517.A N THR 513.A O no hydrogen 2.962 N/A ASP 518.A N ALA 514.A O no hydrogen 2.894 N/A THR 519.A N ILE 515.A O no hydrogen 2.879 N/A THR 519.A OG1 ILE 515.A O no hydrogen 3.119 N/A CYS 520.A N PHE 516.A O no hydrogen 2.999 N/A CYS 520.A SG PHE 516.A O no hydrogen 3.599 N/A ALA 521.A N GLU 517.A O no hydrogen 2.717 N/A ASN 522.A N ASP 518.A O no hydrogen 2.919 N/A ASN 522.A ND2 ASP 114.A OD1 no hydrogen 3.203 N/A ASN 522.A ND2 ASP 114.A OD2 no hydrogen 2.868 N/A TRP 523.A N THR 519.A O no hydrogen 2.870 N/A ASN 524.A N CYS 520.A O no hydrogen 2.824 N/A ALA 525.A N ALA 521.A O no hydrogen 3.057 N/A TYR 526.A N TRP 523.A O no hydrogen 2.923 N/A THR 527.A N TRP 523.A O no hydrogen 3.027 N/A THR 527.A OG1 ASN 524.A O no hydrogen 3.482 N/A THR 529.A N TYR 526.A O no hydrogen 3.402 N/A GLN 530.A N THR 527.A O no hydrogen 3.208 N/A SER 537.A N SER 492.A O no hydrogen 2.828 N/A SER 537.A OG ALA 491.A O no hydrogen 2.703 N/A SER 537.A OG SER 492.A O no hydrogen 3.371 N/A GLY 538.A N ASP 536.A OD1 no hydrogen 3.008 N/A ILE 539.A N SER 537.A OG no hydrogen 3.323 N/A