Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qpk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N TRP 13.A O no hydrogen 2.845 N/A CYS 4.A N TRP 13.A O no hydrogen 3.115 N/A ASN 5.A ND2 CYS 12.A O no hydrogen 3.219 N/A THR 6.A N ASN 9.A O no hydrogen 3.338 N/A ASN 9.A N THR 6.A O no hydrogen 2.928 N/A ASN 9.A N THR 6.A OG1 no hydrogen 3.246 N/A ARG 10.A NE TYR 163.A O no hydrogen 2.806 N/A ARG 10.A NH1 ASN 5.A OD1 no hydrogen 3.020 N/A ARG 10.A NH2 TYR 163.A O no hydrogen 2.950 N/A CYS 12.A N ASN 9.A OD1 no hydrogen 2.883 N/A CYS 12.A SG CYS 4.A O no hydrogen 3.883 N/A TRP 13.A N PHE 17.A O no hydrogen 3.200 N/A SER 14.A N PHE 17.A O no hydrogen 3.166 N/A PHE 17.A N SER 14.A O no hydrogen 2.990 N/A ASP 18.A N THR 21.A OG1 no hydrogen 3.061 N/A ILE 19.A N ALA 11.A O no hydrogen 2.872 N/A ASN 20.A N ASP 18.A OD1 no hydrogen 2.844 N/A THR 21.A N ASP 18.A O no hydrogen 3.224 N/A THR 21.A N ASP 18.A OD1 no hydrogen 3.088 N/A THR 21.A OG1 ASP 18.A OD1 no hydrogen 3.411 N/A GLU 24.A N ASP 22.A OD1 no hydrogen 3.174 N/A VAL 25.A N ASP 22.A O no hydrogen 3.035 N/A THR 30.A OG1 ASP 75.A OD1 no hydrogen 2.501 N/A VAL 32.A N THR 30.A OG1 no hydrogen 3.107 N/A GLN 34.A N THR 76.A O no hydrogen 2.861 N/A TYR 36.A N GLU 78.A O no hydrogen 3.009 N/A TYR 36.A OH VAL 70.A O no hydrogen 3.152 N/A PHE 38.A N THR 80.A O no hydrogen 2.782 N/A ASN 39.A N ASN 61.A OD1 no hydrogen 2.785 N/A LEU 40.A N ILE 82.A O no hydrogen 2.957 N/A THR 41.A N LEU 59.A O no hydrogen 2.855 N/A VAL 43.A N VAL 57.A O no hydrogen 2.767 N/A ASN 45.A N GLU 55.A O no hydrogen 3.007 N/A TRP 46.A N LYS 54.A O no hydrogen 3.018 N/A GLY 48.A N VAL 52.A O no hydrogen 3.084 N/A GLY 51.A N GLY 48.A O no hydrogen 3.295 N/A VAL 52.A N ASP 50.A OD1 no hydrogen 3.211 N/A LYS 54.A N TRP 46.A O no hydrogen 2.992 N/A LYS 54.A NZ TYR 176.A O no hydrogen 2.691 N/A LYS 56.A NZ GLU 42.A OE2 no hydrogen 2.913 N/A LYS 56.A NZ ASP 44.A OD1 no hydrogen 2.963 N/A VAL 57.A N VAL 43.A O no hydrogen 2.850 N/A MET 58.A N ASN 147.A O no hydrogen 3.106 N/A LEU 59.A N THR 41.A O no hydrogen 2.673 N/A ASN 61.A N ASN 39.A O no hydrogen 2.815 N/A ASN 61.A ND2 VAL 37.A O no hydrogen 3.060 N/A ASN 63.A N ILE 60.A O no hydrogen 3.288 N/A GLY 66.A N VAL 150.A O no hydrogen 2.955 N/A ILE 69.A N THR 152.A O no hydrogen 2.977 N/A VAL 70.A N TYR 36.A OH no hydrogen 2.952 N/A ALA 71.A N GLN 154.A O no hydrogen 3.010 N/A ASN 72.A N ASP 75.A OD2 no hydrogen 2.746 N/A TRP 73.A N ASN 156.A O no hydrogen 2.898 N/A GLY 74.A N ALA 129.A O no hydrogen 2.923 N/A ASP 75.A N ASN 72.A O no hydrogen 2.998 N/A THR 76.A N VAL 32.A O no hydrogen 2.838 N/A VAL 77.A N TRP 127.A O no hydrogen 2.805 N/A GLU 78.A N GLN 34.A O no hydrogen 2.991 N/A VAL 79.A N TYR 125.A O no hydrogen 2.842 N/A THR 80.A N TYR 36.A O no hydrogen 2.979 N/A THR 80.A OG1 THR 124.A OG1 no hydrogen 2.850 N/A VAL 81.A N ARG 123.A O no hydrogen 2.714 N/A ILE 82.A N PHE 38.A O no hydrogen 2.788 N/A ASN 83.A N GLY 121.A O no hydrogen 2.674 N/A ASN 83.A ND2 ASN 88.A O no hydrogen 2.866 N/A ASN 83.A ND2 ILE 116.A O no hydrogen 2.738 N/A ASN 84.A N LEU 40.A O no hydrogen 2.953 N/A ASN 84.A ND2 ASN 39.A OD1 no hydrogen 3.067 N/A LEU 85.A N ASN 83.A OD1 no hydrogen 2.919 N/A VAL 86.A N GLU 42.A OE1 no hydrogen 2.657 N/A THR 90.A N ILE 116.A O no hydrogen 3.018 N/A THR 90.A OG1 GLN 144.A OE1 no hydrogen 2.719 N/A SER 91.A OG GLY 107.A O no hydrogen 2.661 N/A ILE 92.A N TYR 125.A OH no hydrogen 3.127 N/A HIS 93.A N HIS 138.A O no hydrogen 2.777 N/A HIS 93.A ND1 ASP 106.A O no hydrogen 2.799 N/A HIS 95.A NE2 ASP 477.A OD1 no hydrogen 2.936 N/A ILE 97.A N TRP 94.A O no hydrogen 3.078 N/A HIS 98.A NE2 ASP 439.A OD2 no hydrogen 2.959 N/A ASP 101.A N ASN 495.A OD1 no hydrogen 2.830 N/A THR 102.A N GLN 99.A O no hydrogen 2.881 N/A THR 102.A OG1 GLN 99.A OE1 no hydrogen 2.645 N/A ASN 103.A ND2 ALA 498.A O no hydrogen 3.129 N/A HIS 105.A N THR 102.A O no hydrogen 2.676 N/A HIS 105.A NE2 ASP 532.A OD1 no hydrogen 2.995 N/A ASP 106.A N ASN 103.A O no hydrogen 3.145 N/A ALA 108.A N THR 112.A OG1 no hydrogen 3.068 N/A GLY 110.A N GLU 113.A O no hydrogen 2.747 N/A VAL 111.A N ALA 108.A O no hydrogen 2.831 N/A THR 112.A N ALA 108.A O no hydrogen 3.008 N/A THR 112.A OG1 ALA 108.A O no hydrogen 3.280 N/A CYS 114.A SG TRP 384.A O no hydrogen 3.296 N/A ILE 116.A N THR 90.A O no hydrogen 2.686 N/A LYS 119.A N LEU 85.A O no hydrogen 3.212 N/A LYS 119.A NZ VAL 86.A O no hydrogen 2.781 N/A GLY 120.A N ASN 83.A O no hydrogen 2.794 N/A ARG 123.A N VAL 81.A O no hydrogen 2.899 N/A ARG 123.A NH2 HIS 105.A ND1 no hydrogen 3.422 N/A THR 124.A OG1 THR 80.A OG1 no hydrogen 2.850 N/A TYR 125.A N VAL 79.A O no hydrogen 2.833 N/A TYR 125.A OH GLU 113.A OE1 no hydrogen 3.138 N/A TYR 125.A OH GLU 113.A OE2 no hydrogen 2.984 N/A ARG 126.A N HIS 105.A ND1 no hydrogen 3.022 N/A TRP 127.A N VAL 77.A O no hydrogen 2.916 N/A ARG 128.A NE GLY 74.A O no hydrogen 2.664 N/A ARG 128.A NH2 PRO 28.A O no hydrogen 2.946 N/A ALA 129.A N ASP 75.A O no hydrogen 2.979 N/A ARG 130.A NH1 THR 27.A OG1 no hydrogen 3.004 N/A GLN 131.A NE2 MET 254.A O no hydrogen 2.991 N/A GLN 131.A NE2 ASP 439.A OD2 no hydrogen 2.829 N/A GLY 133.A N ILE 155.A O no hydrogen 2.908 N/A THR 134.A OG1 ASP 274.A OD1 no hydrogen 2.579 N/A SER 135.A N ILE 153.A O no hydrogen 2.879 N/A SER 135.A OG HIS 95.A O no hydrogen 3.238 N/A TRP 136.A N HIS 95.A O no hydrogen 3.404 N/A TYR 137.A N GLY 151.A O no hydrogen 3.002 N/A TYR 137.A OH PRO 67.A O no hydrogen 2.688 N/A HIS 138.A N HIS 93.A O no hydrogen 2.908 N/A HIS 138.A ND1 SER 139.A O no hydrogen 2.895 N/A SER 139.A N VAL 149.A O no hydrogen 3.143 N/A SER 139.A OG GLN 144.A OE1 no hydrogen 2.850 N/A HIS 140.A N SER 91.A O no hydrogen 2.836 N/A PHE 141.A N SER 139.A OG no hydrogen 2.927 N/A SER 142.A N GLY 558.A O no hydrogen 2.941 N/A SER 142.A OG ASP 556.A OD1 no hydrogen 2.886 N/A SER 142.A OG ASP 556.A OD2 no hydrogen 3.300 N/A GLN 144.A N PHE 141.A O no hydrogen 2.874 N/A GLN 144.A NE2 ASN 88.A OD1 no hydrogen 3.059 N/A GLN 144.A NE2 GLY 89.A O no hydrogen 2.858 N/A TYR 145.A OH SER 233.A O no hydrogen 2.606 N/A TYR 145.A OH HIS 504.A ND1 no hydrogen 3.260 N/A GLY 146.A N ALA 143.A O no hydrogen 2.847 N/A ASN 147.A N GLN 144.A O no hydrogen 2.800 N/A GLY 148.A N TYR 145.A O no hydrogen 3.175 N/A GLY 151.A N TYR 137.A O no hydrogen 3.100 N/A THR 152.A OG1 ASN 68.A OD1 no hydrogen 2.825 N/A ILE 153.A N SER 135.A O no hydrogen 2.971 N/A GLN 154.A N ILE 69.A O no hydrogen 2.583 N/A GLN 154.A NE2 ASN 156.A OD1 no hydrogen 2.924 N/A ILE 155.A N GLY 133.A O no hydrogen 3.004 N/A ASN 156.A N ALA 71.A O no hydrogen 2.676 N/A ALA 159.A N ARG 10.A O no hydrogen 2.825 N/A SER 160.A OG ILE 250.A O no hydrogen 3.467 N/A SER 160.A OG VAL 257.A O no hydrogen 2.802 N/A ASP 164.A N ARG 224.A O no hydrogen 2.880 N/A ILE 165.A N ARG 224.A O no hydrogen 3.008 N/A LEU 167.A N ARG 226.A O no hydrogen 2.888 N/A GLY 168.A N ASP 166.A OD1 no hydrogen 3.115 N/A PHE 170.A N ARG 228.A O no hydrogen 2.757 N/A ILE 172.A N LEU 230.A O no hydrogen 2.698 N/A THR 173.A N LEU 199.A O no hydrogen 2.984 N/A THR 173.A OG1 ASP 174.A O no hydrogen 2.846 N/A THR 173.A OG1 ASP 174.A OD1 no hydrogen 3.475 N/A THR 173.A OG1 THR 232.A O no hydrogen 3.523 N/A ASP 174.A N SER 233.A OG no hydrogen 2.955 N/A TYR 176.A OH ASP 174.A OD2 no hydrogen 2.869 N/A TYR 177.A N ASP 196.A OD2 no hydrogen 2.965 N/A TYR 177.A OH ASP 50.A OD2 no hydrogen 2.471 N/A ALA 180.A N ASN 147.A OD1 no hydrogen 2.988 N/A LEU 183.A N ALA 179.A O no hydrogen 3.056 N/A VAL 184.A N ALA 180.A O no hydrogen 2.823 N/A HIS 185.A N ASP 181.A O no hydrogen 3.087 N/A PHE 186.A N ASP 182.A O no hydrogen 2.750 N/A THR 187.A N LEU 183.A O no hydrogen 2.888 N/A THR 187.A OG1 LEU 183.A O no hydrogen 2.723 N/A THR 187.A OG1 VAL 184.A O no hydrogen 3.024 N/A GLN 188.A N VAL 184.A O no hydrogen 3.099 N/A GLN 188.A NE2 ILE 555.A O no hydrogen 2.861 N/A ASN 189.A N PHE 186.A O no hydrogen 3.266 N/A ASN 190.A ND2 PHE 186.A O no hydrogen 3.069 N/A SER 195.A N GLY 300.A O no hydrogen 2.690 N/A SER 195.A OG ASN 197.A O no hydrogen 3.260 N/A SER 195.A OG GLY 300.A O no hydrogen 3.360 N/A ASN 197.A N TYR 175.A O no hydrogen 3.133 N/A ASN 197.A ND2 ASP 50.A OD2 no hydrogen 3.141 N/A ASN 197.A ND2 VAL 205.A O no hydrogen 3.120 N/A VAL 198.A N ASN 197.A OD1 no hydrogen 2.701 N/A LEU 199.A N THR 173.A O no hydrogen 2.838 N/A ILE 200.A N THR 203.A O no hydrogen 2.956 N/A ASN 201.A N PRO 171.A O no hydrogen 2.831 N/A THR 203.A N ILE 200.A O no hydrogen 3.188 N/A THR 203.A OG1 GLN 213.A O no hydrogen 2.774 N/A ASN 206.A N GLU 211.A O no hydrogen 2.833 N/A ASN 206.A ND2 ASP 50.A O no hydrogen 3.396 N/A ASN 208.A N ASN 206.A OD1 no hydrogen 2.682 N/A THR 209.A N ASN 206.A OD1 no hydrogen 3.189 N/A THR 209.A OG1 GLU 211.A OE2 no hydrogen 2.594 N/A GLY 210.A N ASN 206.A O no hydrogen 3.114 N/A GLU 211.A N THR 209.A OG1 no hydrogen 3.011 N/A VAL 217.A N ILE 309.A O no hydrogen 2.895 N/A LEU 219.A N HIS 311.A O no hydrogen 2.792 N/A THR 220.A N HIS 225.A NE2 no hydrogen 2.845 N/A GLY 222.A N ALA 279.A O no hydrogen 2.731 N/A LYS 223.A N THR 220.A O no hydrogen 3.047 N/A ARG 224.A N ASP 164.A OD2 no hydrogen 2.937 N/A HIS 225.A N ILE 277.A O no hydrogen 2.873 N/A ARG 226.A N ILE 165.A O no hydrogen 2.774 N/A ARG 226.A NH1 TYR 163.A OH no hydrogen 2.913 N/A ARG 226.A NH2 ASP 274.A OD2 no hydrogen 2.851 N/A LEU 227.A N VAL 275.A O no hydrogen 2.793 N/A ARG 228.A N GLY 168.A O no hydrogen 3.109 N/A ARG 228.A NE ASP 166.A OD1 no hydrogen 3.119 N/A ARG 228.A NE ASP 166.A OD2 no hydrogen 3.384 N/A ARG 228.A NH1 THR 134.A OG1 no hydrogen 3.216 N/A ARG 228.A NH2 ASP 166.A OD2 no hydrogen 2.849 N/A ILE 229.A N TYR 273.A O no hydrogen 3.015 N/A LEU 230.A N PHE 170.A O no hydrogen 3.442 N/A ASN 231.A N GLN 271.A O no hydrogen 2.970 N/A ASN 231.A ND2 ASN 236.A O no hydrogen 2.936 N/A ASN 231.A ND2 LEU 267.A O no hydrogen 2.855 N/A THR 232.A N ILE 172.A O no hydrogen 2.898 N/A THR 232.A OG1 ILE 172.A O no hydrogen 3.486 N/A SER 233.A N ASN 231.A OD1 no hydrogen 3.112 N/A SER 233.A OG ASN 231.A OD1 no hydrogen 2.635 N/A SER 233.A OG ASN 236.A O no hydrogen 3.467 N/A THR 234.A N ASP 174.A OD1 no hydrogen 2.908 N/A GLU 235.A N ASP 174.A OD2 no hydrogen 2.966 N/A ASN 236.A N ASP 174.A OD2 no hydrogen 2.829 N/A ASN 236.A ND2 SER 195.A OG no hydrogen 2.744 N/A ASN 236.A ND2 GLY 300.A O no hydrogen 3.585 N/A HIS 237.A N CYS 298.A O no hydrogen 3.043 N/A HIS 237.A ND1 GLU 235.A O no hydrogen 2.687 N/A PHE 238.A N LEU 267.A O no hydrogen 2.850 N/A GLN 239.A N THR 291.A O no hydrogen 2.889 N/A GLN 239.A NE2 THR 291.A OG1 no hydrogen 3.127 N/A VAL 240.A N LEU 265.A O no hydrogen 2.840 N/A SER 241.A N ASN 289.A O no hydrogen 3.249 N/A VAL 243.A N TRP 287.A O no hydrogen 2.951 N/A HIS 245.A N LEU 242.A O no hydrogen 3.043 N/A HIS 245.A ND1 VAL 243.A O no hydrogen 2.993 N/A HIS 245.A NE2 TYR 312.A OH no hydrogen 2.605 N/A MET 247.A N VAL 262.A O no hydrogen 2.984 N/A THR 248.A N VAL 276.A O no hydrogen 3.070 N/A THR 248.A OG1 THR 261.A OG1 no hydrogen 3.117 N/A VAL 249.A N MET 260.A O no hydrogen 2.775 N/A ILE 250.A N ASP 274.A O no hydrogen 2.843 N/A ALA 251.A N ASP 274.A O no hydrogen 3.462 N/A ALA 252.A N VAL 255.A O no hydrogen 2.869 N/A ASP 253.A N ARG 272.A O no hydrogen 2.847 N/A VAL 255.A N ALA 252.A O no hydrogen 2.900 N/A VAL 257.A N ILE 250.A O no hydrogen 3.002 N/A ASN 258.A N ARG 339.A O no hydrogen 2.841 N/A MET 260.A N VAL 249.A O no hydrogen 3.144 N/A THR 261.A OG1 THR 248.A OG1 no hydrogen 3.117 N/A VAL 262.A N MET 247.A O no hydrogen 2.858 N/A SER 264.A OG HIS 330.A NE2 no hydrogen 2.710 N/A LEU 265.A N VAL 240.A O no hydrogen 3.083 N/A LEU 267.A N PHE 238.A O no hydrogen 2.636 N/A ALA 268.A N GLN 271.A OE1 no hydrogen 2.928 N/A GLY 270.A N ASN 231.A O no hydrogen 2.825 N/A GLN 271.A N ALA 268.A O no hydrogen 3.069 N/A GLN 271.A NE2 ASP 334.A OD2 no hydrogen 2.878 N/A GLN 271.A NE2 THR 478.A O no hydrogen 2.761 N/A ARG 272.A N ASP 253.A OD1 no hydrogen 3.075 N/A ARG 272.A NE THR 134.A O no hydrogen 2.846 N/A ARG 272.A NH1 GLY 270.A O no hydrogen 2.826 N/A ARG 272.A NH1 ASP 477.A OD1 no hydrogen 3.125 N/A ARG 272.A NH1 ASP 477.A OD2 no hydrogen 3.001 N/A ARG 272.A NH2 THR 134.A O no hydrogen 3.483 N/A ARG 272.A NH2 ASP 477.A OD2 no hydrogen 2.904 N/A TYR 273.A N ILE 229.A O no hydrogen 2.943 N/A ASP 274.A N ALA 251.A O no hydrogen 3.330 N/A VAL 275.A N LEU 227.A O no hydrogen 2.920 N/A VAL 276.A N THR 248.A O no hydrogen 2.864 N/A ILE 277.A N HIS 225.A O no hydrogen 2.772 N/A ALA 279.A N LYS 223.A O no hydrogen 3.121 N/A SER 280.A N ASP 278.A O no hydrogen 2.739 N/A SER 280.A OG ASP 278.A O no hydrogen 3.329 N/A ARG 281.A N TYR 312.A OH no hydrogen 2.944 N/A ASN 285.A N ASP 284.A OD1 no hydrogen 2.690 N/A ASN 285.A ND2 PRO 316.A O no hydrogen 2.976 N/A ASN 285.A ND2 GLY 317.A O no hydrogen 3.447 N/A TYR 286.A N PHE 310.A O no hydrogen 2.776 N/A TYR 286.A OH ALA 282.A O no hydrogen 2.724 N/A PHE 288.A N ALA 308.A O no hydrogen 2.825 N/A ASN 289.A N SER 241.A O no hydrogen 2.832 N/A VAL 290.A N PRO 306.A O no hydrogen 2.991 N/A THR 291.A N GLN 239.A O no hydrogen 2.809 N/A GLY 294.A N ASP 329.A OD1 no hydrogen 2.940 N/A ALA 297.A N GLY 294.A O no hydrogen 2.861 N/A GLY 299.A N ALA 296.A O no hydrogen 3.425 N/A SER 301.A OG SER 195.A O no hydrogen 2.908 N/A SER 301.A OG SER 195.A OG no hydrogen 3.087 N/A LEU 302.A N SER 195.A O no hydrogen 2.619 N/A ASN 303.A N SER 301.A OG no hydrogen 3.238 N/A ASN 303.A ND2 ASN 197.A OD1 no hydrogen 3.056 N/A HIS 305.A N ASN 303.A OD1 no hydrogen 2.948 N/A ALA 308.A N PHE 288.A O no hydrogen 2.861 N/A ILE 309.A N ALA 215.A O no hydrogen 2.817 N/A PHE 310.A N TYR 286.A O no hydrogen 2.691 N/A HIS 311.A N VAL 217.A O no hydrogen 2.757 N/A HIS 311.A NE2 ALA 315.A O no hydrogen 3.154 N/A TYR 312.A N ASP 284.A O no hydrogen 3.017 N/A TYR 312.A OH HIS 245.A NE2 no hydrogen 2.605 N/A ALA 313.A N LEU 219.A O no hydrogen 2.901 N/A ALA 315.A N TYR 312.A O no hydrogen 2.926 N/A GLY 324.A N ASP 322.A OD1 no hydrogen 2.888 N/A HIS 330.A N GLN 239.A OE1 no hydrogen 2.745 N/A HIS 330.A NE2 SER 264.A OG no hydrogen 2.710 N/A GLN 331.A N ASP 329.A OD1 no hydrogen 2.840 N/A LEU 333.A N HIS 330.A O no hydrogen 3.018 N/A ASP 334.A N ASP 334.A OD1 no hydrogen 2.663 N/A ASP 337.A N THR 335.A OG1 no hydrogen 3.022 N/A ARG 339.A NH1 LEU 336.A O no hydrogen 2.850 N/A ARG 339.A NH1 VAL 338.A O no hydrogen 3.090 N/A VAL 341.A N PRO 256.A O no hydrogen 2.939 N/A ARG 344.A NH1 ASP 22.A OD2 no hydrogen 3.007 N/A ARG 344.A NH1 PRO 343.A O no hydrogen 3.199 N/A ARG 344.A NH2 ASP 22.A OD1 no hydrogen 2.746 N/A ARG 344.A NH2 ASP 22.A OD2 no hydrogen 3.128 N/A ARG 344.A NH2 GLU 24.A OE1 no hydrogen 3.467 N/A VAL 346.A N GLY 470.A O no hydrogen 3.017 N/A LYS 353.A NZ GLU 420.A OE2 no hydrogen 2.855 N/A ARG 354.A N ASN 357.A OD1 no hydrogen 2.772 N/A ASN 357.A N ARG 354.A O no hydrogen 2.963 N/A ASN 357.A ND2 VAL 352.A O no hydrogen 3.085 N/A THR 358.A OG1 ARG 354.A O no hydrogen 2.764 N/A THR 358.A OG1 ASN 357.A OD1 no hydrogen 3.132 N/A LEU 359.A N LEU 418.A O no hydrogen 2.685 N/A VAL 361.A N GLU 420.A O no hydrogen 2.621 N/A ALA 362.A N LYS 374.A O no hydrogen 2.820 N/A LEU 363.A N ASP 422.A OD2 no hydrogen 2.905 N/A ASP 364.A N VAL 372.A O no hydrogen 2.789 N/A THR 366.A N ASP 364.A OD1 no hydrogen 2.878 N/A THR 366.A OG1 ASP 364.A OD1 no hydrogen 2.669 N/A THR 366.A OG1 ASP 364.A OD2 no hydrogen 3.554 N/A LEU 370.A N ASN 189.A OD1 no hydrogen 3.066 N/A PHE 371.A N GLN 188.A O no hydrogen 2.871 N/A TRP 373.A N GLY 511.A O no hydrogen 2.947 N/A LYS 374.A N ALA 362.A O no hydrogen 2.827 N/A LYS 374.A NZ ASP 364.A OD2 no hydrogen 3.155 N/A VAL 375.A N SER 378.A O no hydrogen 2.789 N/A ASN 376.A N PRO 360.A O no hydrogen 3.008 N/A SER 378.A N VAL 375.A O no hydrogen 3.296 N/A SER 378.A OG ASN 404.A OD1 no hydrogen 2.802 N/A ILE 380.A N GLY 512.A O no hydrogen 3.032 N/A ASN 381.A N SER 402.A O no hydrogen 2.913 N/A VAL 382.A N SER 557.A O no hydrogen 2.992 N/A TRP 384.A NE1 GLY 558.A O no hydrogen 3.092 N/A GLY 385.A N ASP 383.A OD1 no hydrogen 2.819 N/A LYS 386.A N ASP 383.A O no hydrogen 2.790 N/A LYS 386.A NZ ASP 390.A OD2 no hydrogen 2.819 N/A ILE 388.A N GLY 110.A O no hydrogen 3.372 N/A ILE 389.A N VAL 111.A O no hydrogen 3.019 N/A ASP 390.A N PRO 387.A O no hydrogen 2.904 N/A ILE 392.A N ILE 388.A O no hydrogen 3.108 N/A LEU 393.A N ILE 389.A O no hydrogen 2.885 N/A THR 394.A N TYR 391.A O no hydrogen 3.069 N/A THR 394.A OG1 ASP 390.A O no hydrogen 2.489 N/A THR 394.A OG1 TYR 391.A O no hydrogen 3.178 N/A GLY 395.A N ILE 392.A O no hydrogen 3.370 N/A ASN 396.A N TYR 391.A O no hydrogen 2.971 N/A SER 398.A N ASN 396.A OD1 no hydrogen 2.983 N/A SER 398.A OG ASN 396.A OD1 no hydrogen 2.998 N/A ASP 403.A N PRO 400.A O no hydrogen 2.968 N/A ASN 404.A N VAL 401.A O no hydrogen 2.854 N/A ASN 404.A ND2 SER 378.A O no hydrogen 3.177 N/A ASN 404.A ND2 SER 514.A O no hydrogen 2.809 N/A VAL 406.A N ASP 516.A O no hydrogen 2.798 N/A GLN 407.A NE2 ASP 409.A OD1 no hydrogen 3.019 N/A GLN 407.A NE2 ASP 409.A OD2 no hydrogen 3.317 N/A VAL 408.A N LEU 518.A O no hydrogen 2.943 N/A ASP 412.A N THR 493.A O no hydrogen 2.785 N/A GLN 413.A N THR 493.A OG1 no hydrogen 3.029 N/A GLN 413.A NE2 VAL 411.A O no hydrogen 2.864 N/A THR 415.A N PHE 491.A O no hydrogen 2.837 N/A THR 415.A OG1 PHE 491.A O no hydrogen 2.908 N/A TRP 417.A N LEU 489.A O no hydrogen 2.726 N/A TRP 417.A NE1 THR 415.A OG1 no hydrogen 2.948 N/A LEU 418.A N ASN 357.A O no hydrogen 2.749 N/A ILE 419.A N LEU 487.A O no hydrogen 2.894 N/A GLU 420.A N LEU 359.A O no hydrogen 2.864 N/A ASN 421.A N GLY 485.A O no hydrogen 2.790 N/A ASN 421.A ND2 LEU 429.A O no hydrogen 2.685 N/A ASN 421.A ND2 LEU 481.A O no hydrogen 3.639 N/A ASN 421.A ND2 PRO 482.A O no hydrogen 2.813 N/A GLY 425.A N ASP 422.A O no hydrogen 2.992 N/A SER 428.A OG ASN 421.A O no hydrogen 2.825 N/A HIS 431.A N LEU 481.A O no hydrogen 3.176 N/A MET 433.A N THR 479.A O no hydrogen 2.898 N/A HIS 434.A N HIS 502.A O no hydrogen 2.839 N/A HIS 434.A ND1 ASP 477.A O no hydrogen 2.895 N/A LEU 435.A N ASP 477.A O no hydrogen 3.088 N/A HIS 436.A N LEU 500.A O no hydrogen 2.948 N/A HIS 436.A ND1 ASP 106.A OD2 no hydrogen 2.860 N/A HIS 438.A NE2 GLU 519.A OE1 no hydrogen 2.522 N/A PHE 440.A N ARG 476.A O no hydrogen 2.895 N/A LEU 441.A N ALA 490.A O no hydrogen 2.846 N/A VAL 442.A N PRO 474.A O no hydrogen 2.897 N/A LEU 443.A N LEU 488.A O no hydrogen 3.059 N/A ARG 445.A NE ASP 448.A OD1 no hydrogen 3.080 N/A ARG 445.A NH1 ASP 334.A O no hydrogen 2.721 N/A ARG 445.A NH2 ASP 334.A O no hydrogen 3.030 N/A ARG 445.A NH2 ASP 448.A OD2 no hydrogen 3.169 N/A SER 446.A N TRP 486.A O no hydrogen 3.080 N/A SER 446.A OG TRP 486.A O no hydrogen 3.555 N/A ALA 451.A N GLN 331.A OE1 no hydrogen 3.025 N/A ALA 452.A N GLN 295.A OE1 no hydrogen 3.037 N/A SER 453.A N PRO 450.A O no hydrogen 3.218 N/A SER 453.A OG PRO 450.A O no hydrogen 2.874 N/A GLN 454.A NE2 ALA 452.A O no hydrogen 3.411 N/A GLN 455.A NE2 SER 453.A OG no hydrogen 2.811 N/A ARG 456.A NH1 GLN 455.A O no hydrogen 3.517 N/A ARG 456.A NH2 GLN 454.A OE1 no hydrogen 3.471 N/A PHE 457.A N GLY 484.A O no hydrogen 3.003 N/A ASP 460.A N ASP 464.A OD2 no hydrogen 2.710 N/A ALA 462.A N ASP 460.A OD1 no hydrogen 3.062 N/A VAL 463.A N ASP 460.A O no hydrogen 3.002 N/A ASP 464.A N ASP 460.A O no hydrogen 2.673 N/A LEU 465.A N PRO 461.A O no hydrogen 3.372 N/A ARG 467.A N ASP 464.A O no hydrogen 3.073 N/A ARG 467.A NH1 ARG 445.A O no hydrogen 3.026 N/A ARG 467.A NH1 ASP 464.A OD1 no hydrogen 3.191 N/A ARG 467.A NH2 ARG 445.A O no hydrogen 2.716 N/A LEU 468.A N LEU 465.A O no hydrogen 3.061 N/A ASN 469.A N LEU 443.A O no hydrogen 2.830 N/A ASP 471.A N ASN 469.A OD1 no hydrogen 3.172 N/A ASN 472.A N ARG 344.A O no hydrogen 2.894 N/A ASN 472.A ND2 PRO 340.A O no hydrogen 2.948 N/A ARG 475.A NH1 VAL 342.A O no hydrogen 2.961 N/A ARG 475.A NH2 TYR 23.A OH no hydrogen 3.081 N/A ARG 475.A NH2 VAL 342.A O no hydrogen 2.908 N/A ARG 476.A N PHE 440.A O no hydrogen 3.119 N/A ARG 476.A NE ASP 253.A OD2 no hydrogen 2.802 N/A ARG 476.A NH1 TYR 273.A OH no hydrogen 2.760 N/A ARG 476.A NH2 ASP 253.A OD1 no hydrogen 2.920 N/A ASP 477.A N ASP 253.A OD2 no hydrogen 3.006 N/A THR 478.A N ASP 253.A OD2 no hydrogen 3.312 N/A THR 478.A OG1 HIS 434.A ND1 no hydrogen 3.206 N/A THR 478.A OG1 ASP 477.A OD1 no hydrogen 2.889 N/A THR 479.A N MET 433.A O no hydrogen 3.124 N/A THR 479.A OG1 ASP 334.A OD1 no hydrogen 3.369 N/A THR 479.A OG1 ASP 334.A OD2 no hydrogen 2.852 N/A MET 480.A N ASP 334.A OD1 no hydrogen 3.110 N/A LEU 481.A N HIS 431.A O no hydrogen 2.821 N/A GLY 484.A N SER 428.A OG no hydrogen 2.906 N/A GLY 485.A N PRO 482.A O no hydrogen 3.124 N/A TRP 486.A N SER 446.A OG no hydrogen 3.173 N/A LEU 487.A N ILE 419.A O no hydrogen 2.938 N/A LEU 488.A N GLY 444.A O no hydrogen 2.818 N/A LEU 489.A N TRP 417.A O no hydrogen 2.886 N/A ALA 490.A N LEU 441.A O no hydrogen 3.208 N/A PHE 491.A N THR 415.A O no hydrogen 3.024 N/A ARG 492.A NE ASP 412.A O no hydrogen 3.007 N/A ARG 492.A NH2 ASP 412.A O no hydrogen 3.488 N/A THR 493.A N GLN 413.A O no hydrogen 2.878 N/A THR 493.A OG1 ALA 410.A O no hydrogen 2.608 N/A THR 493.A OG1 GLN 413.A O no hydrogen 3.282 N/A ASP 494.A N ARG 492.A O no hydrogen 2.687 N/A ASN 495.A N GLU 519.A OE2 no hydrogen 2.903 N/A ASN 495.A ND2 HIS 98.A O no hydrogen 3.091 N/A ASN 495.A ND2 GLN 99.A O no hydrogen 3.333 N/A ASN 495.A ND2 GLY 437.A O no hydrogen 3.201 N/A GLY 497.A N GLU 519.A O no hydrogen 3.006 N/A ALA 498.A N ASN 103.A OD1 no hydrogen 2.956 N/A TRP 499.A N PHE 517.A O no hydrogen 2.966 N/A TRP 499.A NE1 ASN 495.A O no hydrogen 2.774 N/A PHE 501.A N VAL 515.A O no hydrogen 2.843 N/A HIS 502.A N HIS 434.A O no hydrogen 3.116 N/A HIS 502.A ND1 CYS 503.A O no hydrogen 2.591 N/A CYS 503.A N LEU 513.A O no hydrogen 3.266 N/A CYS 503.A SG HIS 431.A ND1 no hydrogen 3.811 N/A CYS 503.A SG PRO 432.A O no hydrogen 4.031 N/A CYS 503.A SG HIS 508.A ND1 no hydrogen 3.832 N/A HIS 504.A N PRO 432.A O no hydrogen 2.833 N/A ALA 506.A N THR 234.A O no hydrogen 2.778 N/A HIS 508.A N ILE 505.A O no hydrogen 2.818 N/A VAL 509.A N ILE 505.A O no hydrogen 3.228 N/A SER 510.A N ALA 506.A O no hydrogen 3.045 N/A SER 510.A OG ALA 506.A O no hydrogen 2.937 N/A SER 510.A OG ASP 556.A OD2 no hydrogen 2.912 N/A GLY 511.A N TRP 507.A O no hydrogen 3.181 N/A GLY 512.A N VAL 509.A O no hydrogen 3.058 N/A LEU 513.A N HIS 508.A O no hydrogen 2.971 N/A SER 514.A OG PHE 501.A O no hydrogen 3.256 N/A SER 514.A OG VAL 515.A O no hydrogen 3.048 N/A VAL 515.A N PHE 501.A O no hydrogen 2.708 N/A ASP 516.A N ASN 404.A O no hydrogen 2.968 N/A PHE 517.A N TRP 499.A O no hydrogen 2.959 N/A LEU 518.A N VAL 406.A O no hydrogen 2.814 N/A GLU 519.A N GLY 497.A O no hydrogen 2.879 N/A ARG 520.A N VAL 408.A O no hydrogen 2.929 N/A ARG 520.A NE ASP 523.A OD2 no hydrogen 2.721 N/A ARG 520.A NH1 THR 493.A O no hydrogen 3.082 N/A ARG 520.A NH2 ASP 523.A OD2 no hydrogen 2.596 N/A LEU 524.A N ARG 520.A O no hydrogen 2.861 N/A ARG 525.A N PRO 521.A O no hydrogen 2.981 N/A GLN 526.A N ASP 523.A O no hydrogen 3.259 N/A ARG 527.A N ASP 523.A O no hydrogen 3.175 N/A ARG 527.A N LEU 524.A O no hydrogen 2.859 N/A ARG 527.A NH1 ASP 101.A OD1 no hydrogen 3.053 N/A GLN 530.A NE2 ASP 534.A OD1 no hydrogen 2.707 N/A GLN 530.A NE2 ASP 534.A OD2 no hydrogen 3.465 N/A GLU 533.A N SER 529.A O no hydrogen 2.978 N/A ASP 534.A N GLN 530.A O no hydrogen 2.961 N/A ASP 535.A N GLU 531.A O no hydrogen 3.051 N/A PHE 536.A N ASP 532.A O no hydrogen 2.839 N/A ASN 537.A N GLU 533.A O no hydrogen 3.030 N/A ARG 538.A N ASP 534.A O no hydrogen 2.896 N/A ARG 538.A NE ASP 535.A OD1 no hydrogen 3.022 N/A ARG 538.A NH1 GLN 122.A O no hydrogen 3.311 N/A ARG 538.A NH1 GLU 542.A OE2 no hydrogen 3.074 N/A ARG 538.A NH2 GLN 122.A O no hydrogen 2.853 N/A ARG 538.A NH2 ASP 535.A OD1 no hydrogen 3.230 N/A VAL 539.A N ASP 535.A O no hydrogen 3.090 N/A CYS 540.A N PHE 536.A O no hydrogen 3.042 N/A CYS 540.A SG PHE 536.A O no hydrogen 3.366 N/A ASP 541.A N ASN 537.A O no hydrogen 2.796 N/A GLU 542.A N ARG 538.A O no hydrogen 3.186 N/A TRP 543.A N VAL 539.A O no hydrogen 2.961 N/A ARG 544.A N CYS 540.A O no hydrogen 2.882 N/A ARG 544.A NH1 GLY 385.A O no hydrogen 2.668 N/A ALA 545.A N ASP 541.A O no hydrogen 3.085 N/A TYR 546.A N GLU 542.A O no hydrogen 3.006 N/A TYR 546.A OH THR 87.A O no hydrogen 2.885 N/A TRP 547.A N TRP 543.A O no hydrogen 2.767 N/A THR 549.A N TYR 546.A O no hydrogen 2.711 N/A THR 549.A OG1 TYR 546.A O no hydrogen 2.498 N/A ASN 550.A N TRP 547.A O no hydrogen 3.041 N/A TYR 552.A N ASN 550.A OD1 no hydrogen 3.401 N/A LYS 554.A NZ VAL 382.A O no hydrogen 3.112 N/A LYS 554.A NZ ASP 556.A O no hydrogen 3.153 N/A LYS 554.A NZ SER 557.A O no hydrogen 3.453 N/A SER 557.A N SER 510.A O no hydrogen 2.829 N/A SER 557.A OG VAL 509.A O no hydrogen 2.730 N/A SER 557.A OG SER 510.A O no hydrogen 3.002 N/A GLY 558.A N ASP 556.A OD1 no hydrogen 3.285 N/A LEU 559.A N SER 557.A OG no hydrogen 3.191 N/A