Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1su7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A N ASN 2.A OD1 no hydrogen 3.451 N/A ASN 2.A N ASN 2.A OD1 no hydrogen 2.369 N/A LYS 4.A N GLN 1.A O no hydrogen 2.853 N/A SER 5.A N GLN 1.A O no hydrogen 2.989 N/A SER 5.A OG GLN 450.A OE1 no hydrogen 2.651 N/A THR 6.A N GLN 450.A O no hydrogen 3.001 N/A THR 6.A OG1 GLN 450.A O no hydrogen 2.670 N/A ASP 7.A N SER 5.A OG no hydrogen 2.984 N/A ALA 9.A N ASP 7.A OD1 no hydrogen 2.767 N/A VAL 10.A N ASP 7.A OD1 no hydrogen 3.134 N/A GLN 11.A N ASP 7.A O no hydrogen 2.878 N/A GLN 12.A N ARG 8.A O no hydrogen 3.022 N/A GLN 12.A NE2 GLU 392.A OE2 no hydrogen 2.758 N/A MET 13.A N ALA 9.A O no hydrogen 3.032 N/A LEU 14.A N VAL 10.A O no hydrogen 2.759 N/A ASP 15.A N GLN 11.A O no hydrogen 3.023 N/A LYS 16.A N GLN 12.A O no hydrogen 3.073 N/A LYS 16.A NZ GLU 20.A OE1 no hydrogen 3.033 N/A LYS 16.A NZ GLU 20.A OE2 no hydrogen 3.032 N/A LYS 16.A NZ ILE 317.A O no hydrogen 2.769 N/A ALA 17.A N MET 13.A O no hydrogen 2.755 N/A LYS 18.A N LEU 14.A O no hydrogen 2.862 N/A ARG 19.A N ASP 15.A O no hydrogen 2.954 N/A ARG 19.A NH2 GLU 392.A OE1 no hydrogen 2.690 N/A GLU 20.A N LYS 16.A O no hydrogen 2.970 N/A GLY 21.A N LYS 18.A O no hydrogen 3.200 N/A ILE 22.A N ALA 17.A O no hydrogen 2.916 N/A THR 24.A N ASP 27.A OD2 no hydrogen 2.829 N/A VAL 25.A N GLU 313.A OE1 no hydrogen 2.784 N/A ASP 27.A N THR 24.A OG1 no hydrogen 3.259 N/A ARG 28.A N THR 24.A O no hydrogen 2.886 N/A ARG 28.A NH1 GLU 313.A OE2 no hydrogen 2.843 N/A ARG 28.A NH2 GLU 313.A OE2 no hydrogen 2.860 N/A ARG 28.A NH2 GLN 332.A OE1 no hydrogen 3.130 N/A TYR 29.A N VAL 25.A O no hydrogen 2.873 N/A GLU 30.A N TRP 26.A O no hydrogen 2.915 N/A ALA 31.A N ASP 27.A O no hydrogen 2.975 N/A MET 32.A N TYR 29.A O no hydrogen 2.897 N/A LYS 33.A N GLU 30.A O no hydrogen 3.178 N/A LYS 33.A NZ GLU 30.A OE1 no hydrogen 3.110 N/A GLU 40.A N CYS 36.A O no hydrogen 2.997 N/A THR 41.A N GLY 37.A O no hydrogen 3.091 N/A THR 41.A OG1 GLY 37.A O no hydrogen 2.869 N/A THR 41.A OG1 PHE 38.A O no hydrogen 3.086 N/A GLY 42.A N GLY 39.A O no hydrogen 3.078 N/A CYS 44.A SG CYS 53.A O no hydrogen 3.582 N/A CYS 45.A N CYS 53.A O no hydrogen 2.784 N/A HIS 47.A ND1 THR 194.A O no hydrogen 2.767 N/A GLY 51.A N CYS 48.A O no hydrogen 3.088 N/A CYS 53.A N CYS 45.A O no hydrogen 2.803 N/A ILE 55.A N LEU 43.A O no hydrogen 3.112 N/A ASN 56.A N PRO 62.A O no hydrogen 2.945 N/A ASN 56.A ND2 ASP 60.A O no hydrogen 2.885 N/A GLY 65.A N ALA 69.A O no hydrogen 2.790 N/A GLY 68.A N GLY 65.A O no hydrogen 2.828 N/A VAL 73.A N THR 70.A OG1 no hydrogen 3.194 N/A ILE 74.A N THR 70.A O no hydrogen 2.844 N/A VAL 75.A N ALA 71.A O no hydrogen 2.886 N/A ALA 76.A N GLU 72.A O no hydrogen 2.968 N/A ARG 77.A N VAL 73.A O no hydrogen 2.801 N/A GLY 78.A N ILE 74.A O no hydrogen 2.950 N/A LEU 79.A N VAL 75.A O no hydrogen 3.020 N/A ASP 80.A N ALA 76.A O no hydrogen 2.886 N/A ARG 81.A N ARG 77.A O no hydrogen 2.972 N/A ARG 81.A NE THR 194.A OG1 no hydrogen 2.775 N/A ARG 81.A NH2 MET 191.A O no hydrogen 3.341 N/A SER 82.A N GLY 78.A O no hydrogen 3.052 N/A SER 82.A OG GLY 78.A O no hydrogen 3.153 N/A ILE 83.A N LEU 79.A O no hydrogen 2.991 N/A ALA 84.A N ASP 80.A O no hydrogen 2.903 N/A ALA 85.A N ARG 81.A O no hydrogen 2.852 N/A GLY 86.A N SER 82.A O no hydrogen 2.896 N/A ALA 87.A N ILE 83.A O no hydrogen 2.833 N/A ALA 88.A N ALA 84.A O no hydrogen 2.793 N/A GLY 89.A N ALA 85.A O no hydrogen 3.084 N/A HIS 90.A N GLY 86.A O no hydrogen 3.050 N/A HIS 90.A ND1 ASP 216.A OD2 no hydrogen 2.491 N/A SER 91.A N ALA 87.A O no hydrogen 2.796 N/A SER 91.A OG ALA 87.A O no hydrogen 2.693 N/A GLY 92.A N ALA 88.A O no hydrogen 2.861 N/A HIS 93.A N GLY 89.A O no hydrogen 2.998 N/A ALA 94.A N HIS 90.A O no hydrogen 2.953 N/A LYS 95.A N SER 91.A O no hydrogen 2.787 N/A LYS 95.A NZ ASP 184.A OD2 no hydrogen 2.625 N/A HIS 96.A N GLY 92.A O no hydrogen 2.914 N/A LEU 97.A N HIS 93.A O no hydrogen 3.114 N/A ALA 98.A N ALA 94.A O no hydrogen 2.844 N/A HIS 99.A N LYS 95.A O no hydrogen 2.847 N/A THR 100.A N HIS 96.A O no hydrogen 2.933 N/A THR 100.A OG1 HIS 96.A O no hydrogen 2.872 N/A THR 100.A OG1 GLU 365.A OE2 no hydrogen 3.436 N/A LEU 101.A N LEU 97.A O no hydrogen 2.833 N/A LYS 102.A N ALA 98.A O no hydrogen 2.939 N/A LYS 103.A N HIS 99.A O no hydrogen 2.878 N/A LYS 103.A NZ GLU 365.A OE1 no hydrogen 3.395 N/A LYS 103.A NZ GLU 365.A OE2 no hydrogen 2.709 N/A LYS 103.A NZ GLU 366.A OE2 no hydrogen 2.933 N/A ALA 104.A N THR 100.A O no hydrogen 2.812 N/A VAL 105.A N LEU 101.A O no hydrogen 3.009 N/A GLN 106.A N LYS 102.A O no hydrogen 2.915 N/A GLY 107.A N ALA 104.A O no hydrogen 3.288 N/A LYS 108.A N LYS 103.A O no hydrogen 2.812 N/A TYR 112.A N ALA 109.A O no hydrogen 3.047 N/A TYR 112.A OH VAL 261.A O no hydrogen 2.700 N/A LYS 115.A N ILE 229.A O no hydrogen 2.814 N/A ASP 116.A N ILE 229.A O no hydrogen 2.927 N/A ARG 117.A NE ASP 136.A OD2 no hydrogen 2.659 N/A LYS 119.A N ASP 116.A OD1 no hydrogen 2.857 N/A LYS 119.A NZ ASP 228.A OD2 no hydrogen 2.708 N/A LYS 119.A NZ GLU 407.A OE1 no hydrogen 2.798 N/A LEU 120.A N ASP 116.A O no hydrogen 2.988 N/A HIS 121.A N ARG 117.A O no hydrogen 2.942 N/A HIS 121.A NE2 ASP 136.A OD1 no hydrogen 2.731 N/A SER 122.A N THR 118.A O no hydrogen 2.911 N/A SER 122.A OG THR 118.A O no hydrogen 3.271 N/A SER 122.A OG LYS 119.A O no hydrogen 2.878 N/A ILE 123.A N LYS 119.A O no hydrogen 2.831 N/A ALA 124.A N LEU 120.A O no hydrogen 2.891 N/A LYS 125.A N HIS 121.A O no hydrogen 2.840 N/A ARG 126.A N SER 122.A O no hydrogen 2.869 N/A ARG 126.A NE THR 163.A OG1 no hydrogen 2.897 N/A ARG 126.A NH1 ASP 225.A OD2 no hydrogen 2.726 N/A LEU 127.A N ILE 123.A O no hydrogen 2.891 N/A GLY 128.A N LYS 125.A O no hydrogen 3.171 N/A ILE 129.A N ALA 124.A O no hydrogen 2.900 N/A THR 131.A N GLU 132.A OE1 no hydrogen 2.556 N/A GLU 132.A N GLU 132.A OE1 no hydrogen 2.387 N/A GLN 134.A N THR 131.A O no hydrogen 2.929 N/A GLU 137.A N GLU 137.A OE1 no hydrogen 2.747 N/A ILE 139.A N LYS 135.A O no hydrogen 2.965 N/A ALA 140.A N ASP 136.A O no hydrogen 2.799 N/A LEU 141.A N GLU 137.A O no hydrogen 2.833 N/A GLU 142.A N ASP 138.A O no hydrogen 2.946 N/A VAL 143.A N ILE 139.A O no hydrogen 2.835 N/A ALA 144.A N ALA 140.A O no hydrogen 2.836 N/A LYS 145.A N LEU 141.A O no hydrogen 2.843 N/A ALA 146.A N GLU 142.A O no hydrogen 2.842 N/A ALA 147.A N VAL 143.A O no hydrogen 2.862 N/A LEU 148.A N ALA 144.A O no hydrogen 2.930 N/A ALA 149.A N LYS 145.A O no hydrogen 2.827 N/A ASP 150.A N ALA 146.A O no hydrogen 3.105 N/A ASP 150.A N ALA 147.A O no hydrogen 3.167 N/A PHE 151.A N LEU 148.A O no hydrogen 3.103 N/A HIS 152.A N ALA 149.A O no hydrogen 3.207 N/A HIS 152.A ND1 GLU 153.A O no hydrogen 2.753 N/A LYS 154.A NZ ASP 150.A OD1 no hydrogen 2.912 N/A LYS 154.A NZ THR 156.A O no hydrogen 3.183 N/A LYS 154.A NZ THR 156.A OG1 no hydrogen 2.887 N/A THR 156.A OG1 PRO 157.A O no hydrogen 3.458 N/A VAL 158.A N PRO 180.A O no hydrogen 3.062 N/A LEU 159.A N ASP 150.A OD1 no hydrogen 2.956 N/A TRP 160.A N ASP 150.A OD2 no hydrogen 2.784 N/A TRP 160.A NE1 ASP 225.A OD2 no hydrogen 2.723 N/A VAL 161.A N VAL 158.A O no hydrogen 2.968 N/A THR 162.A N VAL 158.A O no hydrogen 2.984 N/A THR 162.A OG1 VAL 158.A O no hydrogen 3.488 N/A THR 163.A N LEU 159.A O no hydrogen 2.887 N/A THR 163.A OG1 LEU 159.A O no hydrogen 2.676 N/A VAL 164.A N VAL 161.A O no hydrogen 3.157 N/A ARG 169.A NE ASP 543.A OD1 no hydrogen 3.267 N/A ARG 169.A NE ASP 543.A OD2 no hydrogen 2.924 N/A ARG 169.A NH1 THR 570.A O no hydrogen 2.959 N/A ARG 169.A NH1 THR 601.A O no hydrogen 2.784 N/A ARG 169.A NH2 ASP 543.A OD1 no hydrogen 2.970 N/A ARG 169.A NH2 THR 601.A O no hydrogen 2.993 N/A VAL 170.A N PRO 166.A O no hydrogen 2.937 N/A LYS 171.A N PRO 167.A O no hydrogen 2.821 N/A VAL 172.A N SER 168.A O no hydrogen 3.114 N/A LEU 173.A N ARG 169.A O no hydrogen 2.966 N/A SER 174.A N VAL 170.A O no hydrogen 2.739 N/A SER 174.A OG VAL 170.A O no hydrogen 2.911 N/A ALA 175.A N LYS 171.A O no hydrogen 2.903 N/A HIS 176.A N LEU 173.A O no hydrogen 3.063 N/A GLY 177.A N SER 174.A O no hydrogen 2.873 N/A LEU 178.A N LEU 173.A O no hydrogen 2.886 N/A ALA 181.A N GLU 186.A OE2 no hydrogen 2.855 N/A ILE 183.A N ASP 150.A O no hydrogen 2.774 N/A ASP 184.A N PHE 151.A O no hydrogen 2.823 N/A HIS 185.A N PHE 151.A O no hydrogen 3.359 N/A GLU 186.A N GLY 182.A O no hydrogen 2.938 N/A ILE 187.A N ILE 183.A O no hydrogen 3.154 N/A ALA 188.A N ASP 184.A O no hydrogen 2.888 N/A GLU 189.A N HIS 185.A O no hydrogen 2.847 N/A ILE 190.A N GLU 186.A O no hydrogen 2.830 N/A MET 191.A N ILE 187.A O no hydrogen 3.076 N/A HIS 192.A N ALA 188.A O no hydrogen 2.837 N/A ARG 193.A N GLU 189.A O no hydrogen 2.783 N/A ARG 193.A NE ASP 199.A OD2 no hydrogen 2.830 N/A ARG 193.A NH2 ASP 199.A OD2 no hydrogen 2.735 N/A THR 194.A N ILE 190.A O no hydrogen 2.982 N/A THR 194.A OG1 ILE 190.A O no hydrogen 2.651 N/A THR 194.A OG1 MET 191.A O no hydrogen 3.333 N/A SER 195.A N HIS 192.A O no hydrogen 2.960 N/A SER 195.A OG HIS 192.A O no hydrogen 2.740 N/A CYS 198.A SG HIS 192.A O no hydrogen 3.381 N/A CYS 198.A SG SER 195.A OG no hydrogen 3.457 N/A CYS 198.A SG MET 196.A O no hydrogen 3.767 N/A ASP 199.A N ARG 193.A O no hydrogen 2.880 N/A ASN 204.A N ASP 201.A OD2 no hydrogen 2.899 N/A ASN 204.A ND2 ASP 199.A OD1 no hydrogen 2.799 N/A LEU 205.A N ASP 201.A O no hydrogen 2.814 N/A LEU 206.A N ALA 202.A O no hydrogen 2.820 N/A LEU 207.A N GLN 203.A O no hydrogen 2.857 N/A GLY 208.A N ASN 204.A O no hydrogen 3.083 N/A GLY 209.A N LEU 205.A O no hydrogen 2.945 N/A LEU 210.A N LEU 206.A O no hydrogen 2.809 N/A ARG 211.A N LEU 207.A O no hydrogen 3.011 N/A ARG 211.A NE GLU 186.A OE1 no hydrogen 2.820 N/A ARG 211.A NH1 GLY 177.A O no hydrogen 2.716 N/A ARG 211.A NH2 GLU 189.A OE1 no hydrogen 2.917 N/A CYS 212.A N GLY 208.A O no hydrogen 2.846 N/A SER 213.A N GLY 209.A O no hydrogen 2.793 N/A SER 213.A OG LEU 210.A O no hydrogen 2.727 N/A SER 213.A OG THR 570.A OG1 no hydrogen 3.365 N/A LEU 214.A N LEU 210.A O no hydrogen 3.122 N/A ALA 215.A N ARG 211.A O no hydrogen 3.187 N/A ASP 216.A N CYS 212.A O no hydrogen 3.021 N/A LEU 217.A N SER 213.A O no hydrogen 2.900 N/A ALA 218.A N LEU 214.A O no hydrogen 2.875 N/A GLY 219.A N ALA 215.A O no hydrogen 3.018 N/A CYS 220.A N ASP 216.A O no hydrogen 2.830 N/A CYS 220.A SG ASP 216.A O no hydrogen 3.449 N/A CYS 220.A SG ASP 216.A OD1 no hydrogen 3.589 N/A TYR 221.A N LEU 217.A O no hydrogen 2.803 N/A MET 222.A N ALA 218.A O no hydrogen 2.810 N/A GLY 223.A N GLY 219.A O no hydrogen 2.831 N/A THR 224.A N CYS 220.A O no hydrogen 2.904 N/A THR 224.A OG1 CYS 220.A O no hydrogen 3.224 N/A THR 224.A OG1 ASP 525.A OD2 no hydrogen 2.699 N/A THR 224.A OG1 SER 527.A OG no hydrogen 2.777 N/A ASP 225.A N TYR 221.A O no hydrogen 2.864 N/A LEU 226.A N MET 222.A O no hydrogen 2.870 N/A ALA 227.A N GLY 223.A O no hydrogen 2.887 N/A ASP 228.A N THR 224.A O no hydrogen 2.836 N/A ILE 229.A N ASP 225.A O no hydrogen 2.994 N/A LEU 230.A N LEU 226.A O no hydrogen 2.954 N/A PHE 231.A N ALA 227.A O no hydrogen 2.755 N/A GLY 232.A N ASP 228.A O no hydrogen 2.808 N/A THR 233.A N ASP 116.A OD2 no hydrogen 3.295 N/A THR 233.A OG1 ASP 116.A OD2 no hydrogen 2.548 N/A VAL 237.A N ALA 402.A O no hydrogen 2.898 N/A THR 239.A N VAL 400.A O no hydrogen 2.713 N/A THR 239.A OG1 GLY 302.A O no hydrogen 2.680 N/A GLU 240.A N THR 239.A OG1 no hydrogen 2.720 N/A SER 241.A N THR 398.A O no hydrogen 2.937 N/A SER 241.A OG THR 398.A OG1 no hydrogen 2.757 N/A ASN 242.A N ALA 305.A O no hydrogen 2.781 N/A GLY 244.A N ILE 396.A O no hydrogen 2.908 N/A VAL 245.A N ASN 242.A O no hydrogen 2.989 N/A LEU 246.A N LEU 243.A O no hydrogen 2.939 N/A LYS 247.A N ASN 252.A OD1 no hydrogen 3.023 N/A ALA 250.A N LYS 247.A O no hydrogen 3.071 N/A VAL 251.A N GLY 284.A O no hydrogen 2.969 N/A ASN 252.A N ASP 322.A OD2 no hydrogen 2.820 N/A ASN 252.A ND2 LYS 247.A O no hydrogen 2.832 N/A ASN 252.A ND2 ALA 320.A O no hydrogen 2.807 N/A VAL 253.A N ASN 286.A O no hydrogen 2.959 N/A ALA 254.A N ALA 323.A O no hydrogen 2.806 N/A VAL 255.A N VAL 288.A O no hydrogen 2.937 N/A HIS 256.A N ILE 325.A O no hydrogen 2.900 N/A HIS 256.A NE2 GLN 312.A OE1 no hydrogen 2.755 N/A HIS 258.A N ASP 327.A OD1 no hydrogen 2.697 N/A HIS 258.A ND1 TYR 328.A O no hydrogen 2.928 N/A ASN 259.A N ASP 327.A OD1 no hydrogen 3.496 N/A ASN 259.A N ASP 327.A OD2 no hydrogen 2.874 N/A ASN 259.A ND2 HIS 93.A O no hydrogen 3.120 N/A ASN 259.A ND2 TYR 328.A OH no hydrogen 2.932 N/A VAL 261.A N ASN 259.A OD1 no hydrogen 2.855 N/A LEU 262.A N ASN 259.A O no hydrogen 3.046 N/A SER 263.A N ASN 259.A O no hydrogen 3.296 N/A ASP 264.A N PRO 260.A O no hydrogen 2.851 N/A ILE 266.A N LEU 262.A O no hydrogen 3.068 N/A VAL 267.A N SER 263.A O no hydrogen 2.986 N/A SER 268.A N ASP 264.A O no hydrogen 3.158 N/A VAL 269.A N ILE 265.A O no hydrogen 2.834 N/A SER 270.A N ILE 266.A O no hydrogen 2.912 N/A SER 270.A OG ILE 266.A O no hydrogen 3.301 N/A SER 270.A OG VAL 267.A O no hydrogen 2.704 N/A LYS 271.A N VAL 267.A O no hydrogen 3.390 N/A GLU 272.A N SER 268.A O no hydrogen 3.448 N/A MET 273.A N VAL 269.A O no hydrogen 3.199 N/A MET 273.A N SER 270.A O no hydrogen 3.225 N/A GLU 274.A N LYS 271.A O no hydrogen 3.456 N/A ALA 277.A N MET 273.A O no hydrogen 3.008 N/A ARG 278.A N GLU 274.A O no hydrogen 2.696 N/A ARG 278.A NE THR 283.A O no hydrogen 3.009 N/A ARG 278.A NH2 GLU 274.A OE1 no hydrogen 2.735 N/A ALA 279.A N ASN 275.A O no hydrogen 2.659 N/A ALA 280.A N ALA 277.A O no hydrogen 2.989 N/A GLY 281.A N ARG 278.A O no hydrogen 3.025 N/A ALA 282.A N ALA 277.A O no hydrogen 3.135 N/A THR 283.A N ASP 249.A O no hydrogen 2.797 N/A THR 283.A OG1 ASP 249.A O no hydrogen 3.367 N/A ASN 286.A N VAL 251.A O no hydrogen 2.708 N/A ASN 286.A ND2 VAL 245.A O no hydrogen 2.955 N/A ASN 286.A ND2 ASN 252.A OD1 no hydrogen 2.830 N/A VAL 288.A N VAL 253.A O no hydrogen 2.824 N/A GLY 289.A N PRO 304.A O no hydrogen 2.845 N/A ILE 290.A N VAL 255.A O no hydrogen 2.829 N/A CYS 292.A SG HIS 258.A NE2 no hydrogen 3.478 N/A THR 293.A N GLY 257.A O no hydrogen 2.776 N/A THR 293.A OG1 ASN 259.A O no hydrogen 3.415 N/A GLY 294.A N ILE 290.A O no hydrogen 3.138 N/A ASN 295.A N CYS 291.A O no hydrogen 2.998 N/A ASN 295.A ND2 GLY 472.A O no hydrogen 3.052 N/A GLU 296.A N CYS 292.A O no hydrogen 2.780 N/A VAL 297.A N THR 293.A O no hydrogen 3.084 N/A LEU 298.A N GLY 294.A O no hydrogen 2.785 N/A MET 299.A N ASN 295.A O no hydrogen 2.809 N/A ARG 300.A N GLU 296.A O no hydrogen 3.087 N/A ARG 300.A NE GLY 232.A O no hydrogen 2.689 N/A ARG 300.A NH1 GLU 296.A OE1 no hydrogen 2.762 N/A ARG 300.A NH2 ASP 228.A OD1 no hydrogen 2.768 N/A HIS 301.A N VAL 297.A O no hydrogen 2.873 N/A GLY 302.A N LEU 298.A O no hydrogen 2.827 N/A ILE 303.A N VAL 297.A O no hydrogen 3.229 N/A ALA 305.A N GLU 240.A O no hydrogen 3.090 N/A CYS 306.A N GLY 289.A O no hydrogen 2.724 N/A THR 307.A OG1 SER 311.A OG no hydrogen 2.683 N/A SER 309.A OG ASN 444.A O no hydrogen 3.404 N/A SER 311.A N HIS 308.A O no hydrogen 3.111 N/A SER 311.A OG THR 307.A OG1 no hydrogen 2.683 N/A SER 311.A OG HIS 308.A O no hydrogen 3.003 N/A GLN 312.A N SER 309.A O no hydrogen 2.993 N/A GLN 312.A NE2 SER 309.A O no hydrogen 2.960 N/A GLN 312.A NE2 CYS 330.A O no hydrogen 2.906 N/A MET 314.A N SER 311.A O no hydrogen 2.837 N/A ALA 315.A N GLN 312.A O no hydrogen 3.347 N/A MET 316.A N GLU 313.A O no hydrogen 3.023 N/A ILE 317.A N GLU 313.A O no hydrogen 3.280 N/A THR 318.A OG1 ALA 315.A O no hydrogen 2.819 N/A GLY 319.A N MET 316.A O no hydrogen 3.039 N/A ALA 320.A N THR 318.A OG1 no hydrogen 3.002 N/A ASP 322.A N ASN 252.A O no hydrogen 2.843 N/A ALA 323.A N ASN 252.A O no hydrogen 3.186 N/A MET 324.A N THR 345.A O no hydrogen 2.849 N/A ILE 325.A N ALA 254.A O no hydrogen 2.756 N/A LEU 326.A N ILE 347.A O no hydrogen 2.818 N/A TYR 328.A N ASP 327.A OD1 no hydrogen 2.640 N/A GLN 329.A NE2 GLY 89.A O no hydrogen 2.963 N/A GLN 332.A N GLN 312.A OE1 no hydrogen 2.856 N/A GLN 332.A NE2 SER 309.A O no hydrogen 3.562 N/A GLN 332.A NE2 VAL 310.A O no hydrogen 3.111 N/A SER 334.A OG GLU 313.A OE2 no hydrogen 2.683 N/A SER 334.A OG GLN 332.A OE1 no hydrogen 3.541 N/A VAL 335.A N GLN 332.A O no hydrogen 3.008 N/A ALA 336.A N PRO 333.A O no hydrogen 3.093 N/A THR 337.A N SER 334.A O no hydrogen 2.915 N/A ILE 338.A N SER 334.A O no hydrogen 2.931 N/A ALA 339.A N VAL 335.A O no hydrogen 2.946 N/A GLU 340.A N THR 337.A O no hydrogen 3.082 N/A CYS 341.A N ILE 338.A O no hydrogen 2.854 N/A THR 342.A N ILE 338.A O no hydrogen 2.989 N/A THR 342.A OG1 ILE 338.A O no hydrogen 3.466 N/A THR 342.A OG1 THR 344.A OG1 no hydrogen 2.877 N/A GLY 343.A N ALA 339.A O no hydrogen 2.896 N/A THR 344.A OG1 LEU 321.A O no hydrogen 2.842 N/A THR 344.A OG1 THR 342.A OG1 no hydrogen 2.877 N/A THR 345.A N ASP 322.A O no hydrogen 2.898 N/A THR 345.A OG1 THR 382.A OG1 no hydrogen 2.606 N/A ILE 347.A N MET 324.A O no hydrogen 2.839 N/A THR 348.A N THR 359.A O no hydrogen 2.893 N/A THR 348.A OG1 THR 359.A O no hydrogen 3.448 N/A THR 348.A OG1 HIS 360.A ND1 no hydrogen 2.654 N/A THR 349.A OG1 LEU 326.A O no hydrogen 2.712 N/A SER 353.A N MET 350.A O no hydrogen 2.972 N/A SER 353.A OG ASP 327.A O no hydrogen 3.407 N/A ALA 358.A N ILE 355.A O no hydrogen 2.909 N/A THR 359.A N VAL 346.A O no hydrogen 2.976 N/A HIS 360.A ND1 THR 348.A OG1 no hydrogen 2.654 N/A VAL 361.A N THR 348.A O no hydrogen 2.808 N/A ASN 362.A ND2 PHE 363.A O no hydrogen 3.251 N/A PHE 363.A N THR 349.A O no hydrogen 3.069 N/A GLU 365.A N GLU 365.A OE1 no hydrogen 2.806 N/A GLU 366.A N GLU 366.A OE1 no hydrogen 2.787 N/A ALA 367.A N ALA 364.A O no hydrogen 2.811 N/A ALA 368.A N GLU 365.A O no hydrogen 3.347 N/A ASN 371.A N ALA 367.A O no hydrogen 2.733 N/A ASN 371.A ND2 ALA 364.A O no hydrogen 3.570 N/A ALA 372.A N ALA 368.A O no hydrogen 2.781 N/A LYS 373.A N VAL 369.A O no hydrogen 2.828 N/A GLN 374.A N GLU 370.A O no hydrogen 3.018 N/A ILE 375.A N ASN 371.A O no hydrogen 2.970 N/A LEU 376.A N ALA 372.A O no hydrogen 2.782 N/A ARG 377.A N LYS 373.A O no hydrogen 2.769 N/A ARG 377.A NE GLU 276.A OE2 no hydrogen 2.840 N/A ARG 377.A NH1 GLU 276.A OE1 no hydrogen 2.896 N/A LEU 378.A N GLN 374.A O no hydrogen 3.100 N/A ALA 379.A N ILE 375.A O no hydrogen 3.238 N/A ILE 380.A N LEU 376.A O no hydrogen 2.878 N/A ASP 381.A N ARG 377.A O no hydrogen 2.871 N/A THR 382.A N LEU 378.A O no hydrogen 2.985 N/A THR 382.A OG1 THR 345.A OG1 no hydrogen 2.606 N/A THR 382.A OG1 LEU 378.A O no hydrogen 2.870 N/A PHE 383.A N ALA 379.A O no hydrogen 2.890 N/A LYS 384.A N ILE 380.A O no hydrogen 2.957 N/A ARG 385.A N ASP 381.A O no hydrogen 3.101 N/A ARG 386.A N THR 382.A O no hydrogen 3.282 N/A ARG 386.A N PHE 383.A O no hydrogen 3.005 N/A ARG 386.A NE ASP 322.A OD1 no hydrogen 2.699 N/A ARG 386.A NE ASP 322.A OD2 no hydrogen 3.484 N/A ARG 386.A NH1 ALA 248.A O no hydrogen 3.246 N/A ARG 386.A NH1 ASP 322.A OD2 no hydrogen 2.929 N/A ARG 386.A NH2 ALA 248.A O no hydrogen 2.822 N/A LYS 387.A N LYS 384.A O no hydrogen 3.190 N/A LYS 389.A N ARG 386.A O no hydrogen 2.982 N/A GLU 392.A N THR 318.A O no hydrogen 2.846 N/A LYS 397.A NZ GLU 240.A OE1 no hydrogen 2.772 N/A LYS 397.A NZ GLU 240.A OE2 no hydrogen 3.358 N/A THR 398.A N SER 241.A O no hydrogen 2.912 N/A THR 398.A OG1 MET 479.A O no hydrogen 2.737 N/A VAL 400.A N THR 239.A O no hydrogen 2.819 N/A VAL 401.A N MET 484.A O no hydrogen 2.817 N/A ALA 402.A N VAL 237.A O no hydrogen 2.838 N/A PHE 404.A N HIS 519.A O no hydrogen 2.959 N/A SER 405.A N GLY 403.A O no hydrogen 2.978 N/A SER 405.A OG PRO 234.A O no hydrogen 2.676 N/A THR 406.A OG1 ARG 528.A O no hydrogen 2.689 N/A GLU 407.A N GLU 407.A OE2 no hydrogen 2.776 N/A ALA 408.A N SER 405.A OG no hydrogen 2.969 N/A ILE 409.A N SER 405.A O no hydrogen 2.839 N/A ILE 410.A N THR 406.A O no hydrogen 2.853 N/A ASN 411.A N GLU 407.A O no hydrogen 2.829 N/A ALA 412.A N ALA 408.A O no hydrogen 2.866 N/A LEU 413.A N ILE 409.A O no hydrogen 2.862 N/A SER 414.A N ILE 410.A O no hydrogen 2.786 N/A SER 414.A OG ASN 411.A O no hydrogen 2.597 N/A LYS 415.A N ALA 412.A O no hydrogen 3.189 N/A LYS 415.A NZ ASN 411.A OD1 no hydrogen 3.414 N/A LEU 416.A N LEU 413.A O no hydrogen 2.829 N/A ASN 417.A N LEU 413.A O no hydrogen 3.202 N/A ASP 420.A N ASN 417.A O no hydrogen 3.393 N/A LYS 423.A N ASP 420.A O no hydrogen 2.960 N/A LYS 423.A NZ ASP 427.A OD1 no hydrogen 2.809 N/A LYS 423.A NZ ASP 427.A OD2 no hydrogen 3.397 N/A ILE 426.A N LEU 422.A O no hydrogen 2.981 N/A ASP 427.A N LYS 423.A O no hydrogen 2.589 N/A ASN 428.A N PRO 424.A O no hydrogen 3.124 N/A ASN 428.A ND2 PRO 424.A O no hydrogen 2.729 N/A VAL 429.A N LEU 425.A O no hydrogen 2.893 N/A VAL 430.A N ILE 426.A O no hydrogen 2.844 N/A ASN 431.A N ASP 427.A O no hydrogen 2.808 N/A ASN 431.A ND2 ASN 428.A OD1 no hydrogen 3.336 N/A ASN 431.A ND2 ASN 433.A OD1 no hydrogen 3.577 N/A GLY 432.A N VAL 429.A O no hydrogen 3.156 N/A ASN 433.A N ASN 431.A OD1 no hydrogen 2.888 N/A ILE 434.A N ASN 428.A O no hydrogen 2.858 N/A ARG 435.A N ASN 465.A O no hydrogen 2.796 N/A ARG 435.A NE GLN 464.A O no hydrogen 2.867 N/A ARG 435.A NH1 ASN 623.A OD1 no hydrogen 2.831 N/A ARG 435.A NH1 TRP 633.A O no hydrogen 2.857 N/A VAL 437.A N PRO 548.A O no hydrogen 2.845 N/A CYS 438.A N LEU 467.A O no hydrogen 2.883 N/A LEU 439.A N VAL 550.A O no hydrogen 2.934 N/A PHE 440.A N VAL 469.A O no hydrogen 2.851 N/A ALA 441.A N SER 552.A O no hydrogen 2.969 N/A ASN 444.A N SER 309.A OG no hydrogen 3.034 N/A ASN 445.A ND2 ALA 556.A O no hydrogen 2.808 N/A LYS 447.A N ASN 445.A OD1 no hydrogen 2.793 N/A VAL 448.A N ASN 445.A O no hydrogen 2.842 N/A GLN 450.A N LYS 4.A O no hydrogen 2.895 N/A GLN 450.A NE2 SER 311.A OG no hydrogen 2.839 N/A ASP 451.A N GLU 555.A OE2 no hydrogen 2.908 N/A GLN 452.A N PRO 449.A O no hydrogen 2.971 N/A ASN 453.A ND2 ALA 554.A O no hydrogen 2.884 N/A PHE 454.A N GLU 555.A OE1 no hydrogen 2.959 N/A THR 455.A N ASP 451.A O no hydrogen 2.915 N/A THR 455.A OG1 ASP 451.A O no hydrogen 3.176 N/A THR 455.A OG1 GLN 452.A O no hydrogen 3.556 N/A THR 456.A N GLN 452.A O no hydrogen 3.018 N/A THR 456.A OG1 GLN 452.A O no hydrogen 2.747 N/A ILE 457.A N ASN 453.A O no hydrogen 2.902 N/A ALA 458.A N PHE 454.A O no hydrogen 2.858 N/A ARG 459.A N THR 455.A O no hydrogen 2.883 N/A LYS 460.A N THR 456.A O no hydrogen 3.327 N/A LEU 461.A N ILE 457.A O no hydrogen 3.023 N/A LEU 462.A N ALA 458.A O no hydrogen 2.843 N/A LYS 463.A N ARG 459.A O no hydrogen 3.089 N/A LYS 463.A NZ GLU 491.A O no hydrogen 2.840 N/A GLN 464.A N LYS 460.A O no hydrogen 3.209 N/A GLN 464.A N LEU 461.A O no hydrogen 3.001 N/A ASN 465.A N LEU 462.A O no hydrogen 3.047 N/A VAL 466.A N LEU 461.A O no hydrogen 2.941 N/A LEU 467.A N GLY 436.A O no hydrogen 2.826 N/A VAL 469.A N CYS 438.A O no hydrogen 2.891 N/A ALA 470.A N LEU 518.A O no hydrogen 2.930 N/A THR 471.A N PHE 440.A O no hydrogen 2.952 N/A THR 471.A OG1 ASN 526.A OD1 no hydrogen 2.635 N/A GLY 472.A N GLY 521.A O no hydrogen 2.748 N/A ALA 475.A N THR 471.A O no hydrogen 2.892 N/A GLY 476.A N GLY 472.A O no hydrogen 2.919 N/A ALA 477.A N CYS 473.A O no hydrogen 2.831 N/A LEU 478.A N GLY 474.A O no hydrogen 2.965 N/A MET 479.A N ALA 475.A O no hydrogen 2.722 N/A ARG 480.A N GLY 476.A O no hydrogen 3.023 N/A ARG 480.A NE HIS 308.A ND1 no hydrogen 2.943 N/A ARG 480.A NH1 ASP 7.A OD2 no hydrogen 2.754 N/A ARG 480.A NH1 ASP 451.A OD2 no hydrogen 2.751 N/A ARG 480.A NH2 ASP 451.A OD1 no hydrogen 2.944 N/A ARG 480.A NH2 ASP 451.A OD2 no hydrogen 3.546 N/A HIS 481.A N LEU 478.A O no hydrogen 3.162 N/A HIS 481.A NE2 ASP 451.A OD2 no hydrogen 2.720 N/A GLY 482.A N MET 479.A O no hydrogen 3.118 N/A PHE 483.A N LEU 478.A O no hydrogen 2.925 N/A ASP 485.A N GLY 482.A O no hydrogen 3.139 N/A ALA 487.A N ASP 485.A OD1 no hydrogen 2.839 N/A ASN 488.A N ASP 485.A O no hydrogen 2.839 N/A VAL 489.A N PRO 486.A O no hydrogen 3.124 N/A LEU 492.A N ASN 488.A O no hydrogen 2.951 N/A CYS 493.A N VAL 489.A O no hydrogen 2.876 N/A GLY 494.A N LEU 462.A O no hydrogen 2.902 N/A LEU 497.A N ASN 465.A OD1 no hydrogen 2.871 N/A LYS 498.A N GLY 494.A O no hydrogen 2.793 N/A ALA 499.A N ASP 495.A O no hydrogen 2.895 N/A VAL 500.A N GLY 496.A O no hydrogen 3.026 N/A LEU 501.A N LEU 497.A O no hydrogen 2.767 N/A THR 502.A N LYS 498.A O no hydrogen 2.805 N/A THR 502.A OG1 LYS 498.A O no hydrogen 2.688 N/A ALA 503.A N ALA 499.A O no hydrogen 2.799 N/A ILE 504.A N VAL 500.A O no hydrogen 2.884 N/A GLY 505.A N LEU 501.A O no hydrogen 2.879 N/A GLU 506.A N THR 502.A O no hydrogen 2.691 N/A ALA 507.A N ALA 503.A O no hydrogen 3.051 N/A ASN 508.A N ILE 504.A O no hydrogen 3.036 N/A ASN 508.A N GLY 505.A O no hydrogen 2.958 N/A GLY 509.A N GLU 506.A O no hydrogen 2.990 N/A LEU 510.A N GLY 505.A O no hydrogen 2.888 N/A LEU 514.A N LEU 501.A O no hydrogen 3.018 N/A VAL 517.A N PHE 483.A O no hydrogen 3.011 N/A LEU 518.A N VAL 468.A O no hydrogen 2.947 N/A HIS 519.A NE2 ASN 295.A OD1 no hydrogen 2.786 N/A MET 520.A N ALA 470.A O no hydrogen 2.807 N/A GLY 521.A N HIS 519.A ND1 no hydrogen 2.958 N/A SER 522.A N ASP 525.A OD1 no hydrogen 3.231 N/A SER 522.A OG GLU 296.A OE2 no hydrogen 2.764 N/A ASP 525.A N SER 522.A OG no hydrogen 3.414 N/A ASN 526.A N CYS 523.A O no hydrogen 2.874 N/A ASN 526.A ND2 CYS 523.A O no hydrogen 2.875 N/A SER 527.A N VAL 524.A O no hydrogen 2.859 N/A SER 527.A OG THR 224.A OG1 no hydrogen 2.777 N/A SER 527.A OG VAL 524.A O no hydrogen 2.936 N/A ARG 528.A N ASP 525.A O no hydrogen 2.758 N/A ARG 528.A NE MET 520.A O no hydrogen 3.181 N/A ARG 528.A NH1 ASP 228.A OD1 no hydrogen 3.512 N/A ARG 528.A NH1 ASP 228.A OD2 no hydrogen 2.675 N/A ARG 528.A NH2 ASP 228.A OD1 no hydrogen 2.900 N/A ARG 528.A NH2 ASP 525.A OD1 no hydrogen 3.105 N/A VAL 530.A N ASN 526.A O no hydrogen 3.062 N/A ALA 531.A N SER 527.A O no hydrogen 2.853 N/A LEU 532.A N ARG 528.A O no hydrogen 2.927 N/A VAL 533.A N ALA 529.A O no hydrogen 2.868 N/A ALA 534.A N VAL 530.A O no hydrogen 2.737 N/A ALA 535.A N ALA 531.A O no hydrogen 2.899 N/A LEU 536.A N LEU 532.A O no hydrogen 2.896 N/A ALA 537.A N VAL 533.A O no hydrogen 2.825 N/A ASN 538.A N ALA 534.A O no hydrogen 2.829 N/A ARG 539.A N ALA 535.A O no hydrogen 2.870 N/A ARG 539.A NE ASP 420.A OD1 no hydrogen 2.848 N/A ARG 539.A NH1 ASP 420.A OD2 no hydrogen 2.745 N/A ARG 539.A NH2 ARG 539.A O no hydrogen 2.871 N/A LEU 540.A N LEU 536.A O no hydrogen 2.954 N/A GLY 541.A N ASN 538.A O no hydrogen 3.175 N/A VAL 542.A N ALA 537.A O no hydrogen 3.071 N/A LEU 544.A N ASP 543.A OD2 no hydrogen 2.740 N/A ARG 546.A N ASP 543.A O no hydrogen 2.955 N/A ARG 546.A NH1 GLY 628.A O no hydrogen 2.735 N/A LEU 547.A N LEU 544.A O no hydrogen 3.072 N/A VAL 549.A N LEU 547.A O no hydrogen 2.807 N/A VAL 550.A N VAL 437.A O no hydrogen 2.888 N/A ALA 551.A N PRO 574.A O no hydrogen 2.977 N/A SER 552.A N LEU 439.A O no hydrogen 2.766 N/A SER 552.A OG HIS 576.A ND1 no hydrogen 2.762 N/A ALA 553.A N HIS 576.A O no hydrogen 2.780 N/A LYS 560.A N HIS 558.A ND1 no hydrogen 2.787 N/A LYS 560.A NZ GLN 329.A OE1 no hydrogen 2.683 N/A ALA 561.A N HIS 558.A O no hydrogen 2.828 N/A VAL 562.A N HIS 558.A O no hydrogen 3.194 N/A ALA 563.A N GLU 559.A O no hydrogen 2.920 N/A ILE 564.A N LYS 560.A O no hydrogen 2.917 N/A GLY 565.A N ALA 561.A O no hydrogen 2.886 N/A THR 566.A N VAL 562.A O no hydrogen 2.921 N/A THR 566.A OG1 VAL 562.A O no hydrogen 2.816 N/A TRP 567.A N ALA 563.A O no hydrogen 2.896 N/A TRP 567.A NE1 ASP 216.A OD1 no hydrogen 2.806 N/A ALA 568.A N ILE 564.A O no hydrogen 2.839 N/A VAL 569.A N GLY 565.A O no hydrogen 3.028 N/A THR 570.A N THR 566.A O no hydrogen 2.889 N/A THR 570.A OG1 SER 213.A OG no hydrogen 3.365 N/A THR 570.A OG1 THR 566.A O no hydrogen 2.781 N/A ILE 571.A N TRP 567.A O no hydrogen 2.786 N/A GLY 572.A N ALA 568.A O no hydrogen 3.278 N/A GLY 572.A N VAL 569.A O no hydrogen 3.023 N/A LEU 573.A N ALA 568.A O no hydrogen 2.895 N/A THR 575.A N TYR 604.A O no hydrogen 2.813 N/A THR 575.A OG1 LEU 573.A O no hydrogen 2.987 N/A HIS 576.A N ALA 551.A O no hydrogen 2.687 N/A HIS 576.A ND1 SER 552.A OG no hydrogen 2.762 N/A HIS 576.A NE2 GLU 608.A O no hydrogen 2.802 N/A ILE 577.A N ILE 606.A O no hydrogen 2.880 N/A GLY 578.A N ALA 553.A O no hydrogen 3.064 N/A ILE 583.A N PRO 581.A O no hydrogen 2.724 N/A GLY 585.A N THR 41.A O no hydrogen 2.784 N/A SER 586.A N ILE 583.A O no hydrogen 2.959 N/A VAL 589.A N SER 586.A OG no hydrogen 3.131 N/A THR 590.A N SER 586.A O no hydrogen 2.945 N/A THR 590.A OG1 ILE 583.A O no hydrogen 3.067 N/A THR 590.A OG1 SER 586.A O no hydrogen 3.034 N/A GLN 591.A N LEU 587.A O no hydrogen 2.736 N/A ILE 592.A N PRO 588.A O no hydrogen 2.984 N/A LEU 593.A N VAL 589.A O no hydrogen 2.950 N/A THR 594.A N THR 590.A O no hydrogen 2.870 N/A THR 594.A OG1 THR 590.A O no hydrogen 2.715 N/A SER 596.A N GLN 591.A O no hydrogen 2.923 N/A VAL 597.A N ILE 592.A O no hydrogen 2.844 N/A LYS 598.A N SER 595.A O no hydrogen 2.946 N/A ASP 599.A N SER 596.A O no hydrogen 2.877 N/A ILE 600.A N VAL 597.A O no hydrogen 2.810 N/A THR 601.A N VAL 597.A O no hydrogen 2.813 N/A THR 601.A OG1 VAL 569.A O no hydrogen 2.801 N/A GLY 603.A N THR 601.A OG1 no hydrogen 3.101 N/A TYR 604.A N LEU 573.A O no hydrogen 3.241 N/A PHE 605.A N LEU 593.A O no hydrogen 2.922 N/A ILE 606.A N THR 575.A O no hydrogen 2.744 N/A GLU 608.A N ILE 577.A O no hydrogen 3.087 N/A ASP 610.A N GLU 608.A OE2 no hydrogen 2.860 N/A THR 613.A N ASP 610.A OD2 no hydrogen 2.979 N/A THR 613.A OG1 ASP 610.A OD2 no hydrogen 2.681 N/A ALA 614.A N ASP 610.A O no hydrogen 2.791 N/A ALA 615.A N PRO 611.A O no hydrogen 2.814 N/A ASP 616.A N GLU 612.A O no hydrogen 3.069 N/A LYS 617.A N THR 613.A O no hydrogen 2.870 N/A LYS 617.A NZ GLU 608.A OE1 no hydrogen 2.693 N/A LEU 618.A N ALA 614.A O no hydrogen 2.763 N/A LEU 619.A N ALA 615.A O no hydrogen 2.789 N/A ALA 620.A N ASP 616.A O no hydrogen 2.769 N/A ALA 621.A N LYS 617.A O no hydrogen 2.913 N/A ILE 622.A N LEU 618.A O no hydrogen 2.867 N/A ASN 623.A N LEU 619.A O no hydrogen 2.794 N/A GLU 624.A N ALA 620.A O no hydrogen 2.815 N/A ARG 625.A N ALA 621.A O no hydrogen 3.094 N/A ARG 625.A NH1 GLY 572.A O no hydrogen 2.800 N/A ARG 625.A NH2 LEU 547.A O no hydrogen 2.938 N/A ARG 625.A NH2 GLY 572.A O no hydrogen 3.252 N/A ARG 626.A N ILE 622.A O no hydrogen 2.826 N/A ARG 626.A NE PRO 632.A O no hydrogen 2.783 N/A ARG 626.A NH1 VAL 429.A O no hydrogen 2.848 N/A ARG 626.A NH1 ARG 435.A O no hydrogen 2.854 N/A ARG 626.A NH2 VAL 429.A O no hydrogen 2.902 N/A ARG 626.A NH2 PRO 632.A O no hydrogen 2.976 N/A ALA 627.A N ASN 623.A O no hydrogen 2.776 N/A GLY 628.A N GLU 624.A O no hydrogen 2.922 N/A LEU 629.A N ARG 625.A O no hydrogen 3.071 N/A LEU 629.A N ARG 626.A O no hydrogen 3.005 N/A GLY 630.A N ALA 627.A O no hydrogen 2.848 N/A LEU 631.A N ARG 626.A O no hydrogen 2.863 N/A