Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pw4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A N TYR 356.A O no hydrogen 2.719 N/A LEU 6.A N ALA 354.A O no hydrogen 2.928 N/A LYS 7.A NZ ASP 8.A OD1 no hydrogen 3.335 N/A ASP 8.A N TYR 5.A O no hydrogen 2.927 N/A TYR 9.A N LEU 6.A O no hydrogen 3.326 N/A TYR 9.A OH ASP 129.A OD2 no hydrogen 2.597 N/A TYR 14.A OH GLU 45.A O no hydrogen 2.653 N/A HIS 15.A N GLU 39.A O no hydrogen 2.905 N/A LEU 17.A N THR 37.A O no hydrogen 2.744 N/A LYS 18.A NZ THR 19.A O no hydrogen 3.551 N/A LYS 18.A NZ ASP 20.A OD1 no hydrogen 2.724 N/A LYS 18.A NZ LYS 132.A O no hydrogen 3.028 N/A LYS 18.A NZ THR 134.A OG1 no hydrogen 2.861 N/A THR 19.A N LYS 132.A O no hydrogen 2.975 N/A THR 19.A OG1 TYR 124.A OH no hydrogen 2.687 N/A THR 19.A OG1 SER 131.A OG no hydrogen 2.704 N/A ASP 20.A N ARG 35.A O no hydrogen 2.871 N/A LEU 21.A N THR 134.A O no hydrogen 2.831 N/A HIS 22.A N LYS 33.A O no hydrogen 2.762 N/A PHE 23.A N THR 136.A O no hydrogen 2.753 N/A ASP 24.A N VAL 31.A O no hydrogen 2.929 N/A ILE 25.A N VAL 138.A O no hydrogen 2.869 N/A ASN 26.A N GLN 29.A O no hydrogen 2.870 N/A ASN 26.A ND2 ASP 24.A OD2 no hydrogen 3.115 N/A GLN 29.A N GLN 29.A OE1 no hydrogen 2.612 N/A THR 30.A N ILE 92.A O no hydrogen 2.949 N/A VAL 31.A N ASP 24.A O no hydrogen 3.071 N/A VAL 32.A N THR 90.A O no hydrogen 2.858 N/A LYS 33.A N HIS 22.A O no hydrogen 2.862 N/A SER 34.A N VAL 88.A O no hydrogen 2.901 N/A SER 34.A OG VAL 88.A O no hydrogen 3.388 N/A ARG 35.A N ASP 20.A O no hydrogen 2.809 N/A LEU 36.A N VAL 86.A O no hydrogen 2.783 N/A THR 37.A N LYS 18.A O no hydrogen 2.838 N/A VAL 38.A N PHE 84.A O no hydrogen 2.775 N/A GLU 39.A N HIS 15.A O no hydrogen 2.870 N/A GLN 41.A N ALA 13.A O no hydrogen 2.688 N/A GLN 41.A NE2 GLU 39.A O no hydrogen 2.949 N/A ARG 42.A N ALA 13.A O no hydrogen 2.975 N/A ARG 42.A NE GLU 45.A OE1 no hydrogen 2.756 N/A ARG 42.A NH1 THR 11.A O no hydrogen 3.005 N/A ARG 42.A NH1 THR 11.A OG1 no hydrogen 3.319 N/A ARG 42.A NH2 THR 11.A O no hydrogen 2.779 N/A GLU 45.A N ARG 42.A O no hydrogen 3.368 N/A LEU 47.A N ILE 76.A O no hydrogen 2.817 N/A LEU 49.A N LEU 74.A O no hydrogen 2.757 N/A ASP 50.A N TYR 124.A O no hydrogen 2.766 N/A GLY 51.A N GLU 72.A O no hydrogen 2.814 N/A SER 52.A N ARG 119.A O no hydrogen 2.973 N/A LEU 56.A N GLU 89.A O no hydrogen 2.751 N/A SER 57.A N GLU 89.A O no hydrogen 3.249 N/A SER 57.A OG GLU 89.A OE1 no hydrogen 2.889 N/A LYS 59.A N GLU 87.A O no hydrogen 2.814 N/A ILE 60.A N ALA 63.A O no hydrogen 2.885 N/A ASN 61.A N THR 85.A O no hydrogen 3.050 N/A ALA 63.A N ILE 60.A O no hydrogen 3.201 N/A ALA 65.A N VAL 58.A O no hydrogen 2.883 N/A VAL 68.A N THR 75.A O no hydrogen 3.012 N/A GLU 70.A N THR 73.A O no hydrogen 3.024 N/A THR 73.A N GLU 70.A O no hydrogen 3.062 N/A THR 73.A OG1 GLU 70.A O no hydrogen 3.164 N/A LEU 74.A N LEU 49.A O no hydrogen 2.817 N/A THR 75.A N VAL 68.A O no hydrogen 2.922 N/A ILE 76.A N LEU 47.A O no hydrogen 2.922 N/A VAL 79.A N ALA 77.A O no hydrogen 3.188 N/A PHE 84.A N VAL 38.A O no hydrogen 3.129 N/A THR 85.A N ASN 61.A OD1 no hydrogen 3.204 N/A THR 85.A OG1 ASN 61.A OD1 no hydrogen 3.440 N/A VAL 86.A N LEU 36.A O no hydrogen 3.025 N/A GLU 87.A N LYS 59.A O no hydrogen 2.796 N/A VAL 88.A N SER 34.A OG no hydrogen 3.070 N/A GLU 89.A N SER 57.A O no hydrogen 2.978 N/A THR 90.A N VAL 32.A O no hydrogen 2.898 N/A THR 90.A OG1 ILE 121.A O no hydrogen 2.752 N/A GLU 91.A N LYS 54.A O no hydrogen 2.976 N/A ILE 92.A N THR 30.A O no hydrogen 2.861 N/A GLU 96.A N LEU 93.A O no hydrogen 3.030 N/A ASN 97.A N PRO 94.A O no hydrogen 3.173 N/A ASN 97.A ND2 LEU 102.A O no hydrogen 2.879 N/A LYS 98.A NZ ALA 95.A O no hydrogen 2.981 N/A SER 99.A N ASN 97.A OD1 no hydrogen 3.192 N/A SER 99.A OG ASN 97.A OD1 no hydrogen 2.654 N/A TYR 103.A N PHE 110.A O no hydrogen 2.887 N/A TYR 103.A OH ASP 246.A O no hydrogen 2.687 N/A ALA 104.A N PRO 94.A O no hydrogen 3.126 N/A SER 105.A N ASN 108.A O no hydrogen 2.826 N/A SER 105.A OG ASP 246.A OD2 no hydrogen 2.607 N/A ASN 108.A N SER 105.A O no hydrogen 2.859 N/A LEU 109.A N ALA 183.A O no hydrogen 2.782 N/A PHE 110.A N TYR 103.A O no hydrogen 2.937 N/A THR 111.A OG1 LEU 181.A O no hydrogen 3.413 N/A GLN 112.A N GLY 101.A O no hydrogen 3.042 N/A GLN 112.A NE2 GLU 114.A O no hydrogen 3.132 N/A CYS 113.A SG PHE 179.A O no hydrogen 3.639 N/A GLY 117.A N CYS 113.A O no hydrogen 2.862 N/A ARG 119.A N ASP 126.A OD2 no hydrogen 3.260 N/A ARG 119.A NE ASP 126.A OD2 no hydrogen 2.811 N/A ARG 119.A NH2 ASP 126.A O no hydrogen 2.871 N/A ARG 119.A NH2 ASP 126.A OD2 no hydrogen 3.548 N/A LYS 120.A N GLY 117.A O no hydrogen 2.863 N/A ILE 121.A N PHE 118.A O no hydrogen 2.833 N/A THR 122.A N PHE 118.A O no hydrogen 3.203 N/A TYR 124.A N ASP 50.A O no hydrogen 3.011 N/A TYR 124.A OH THR 19.A OG1 no hydrogen 2.687 N/A ASP 126.A N ASP 50.A OD2 no hydrogen 2.958 N/A ARG 127.A N ILE 125.A O no hydrogen 3.080 N/A ARG 127.A NE ASP 129.A OD1 no hydrogen 2.787 N/A ARG 127.A NH2 GLN 10.A O no hydrogen 2.880 N/A ARG 127.A NH2 ASP 129.A OD1 no hydrogen 3.568 N/A ARG 127.A NH2 ASP 129.A OD2 no hydrogen 2.806 N/A VAL 130.A N ARG 127.A O no hydrogen 3.122 N/A SER 131.A OG THR 19.A OG1 no hydrogen 2.704 N/A LYS 132.A N LEU 17.A O no hydrogen 3.148 N/A THR 134.A N THR 19.A O no hydrogen 2.942 N/A THR 135.A N TRP 168.A O no hydrogen 2.768 N/A THR 136.A N LEU 21.A O no hydrogen 2.856 N/A ILE 137.A N VAL 166.A O no hydrogen 2.922 N/A VAL 138.A N PHE 23.A O no hydrogen 2.844 N/A ALA 139.A N HIS 164.A O no hydrogen 3.060 N/A LYS 141.A N GLY 162.A O no hydrogen 2.854 N/A LYS 141.A NZ GLU 158.A OE1 no hydrogen 2.838 N/A LYS 141.A NZ GLU 158.A OE2 no hydrogen 3.132 N/A ARG 143.A N ASP 140.A OD2 no hydrogen 2.809 N/A TYR 144.A N ASP 140.A O no hydrogen 2.923 N/A TYR 144.A OH GLU 27.A OE2 no hydrogen 3.279 N/A VAL 146.A N GLY 184.A O no hydrogen 2.961 N/A LEU 148.A N VAL 182.A O no hydrogen 2.894 N/A SER 149.A OG ALA 180.A O no hydrogen 2.760 N/A ASN 150.A N SER 149.A OG no hydrogen 2.819 N/A ASN 150.A ND2 LEU 178.A O no hydrogen 2.956 N/A ASN 150.A ND2 LYS 253.A O no hydrogen 2.928 N/A ASN 152.A N GLU 169.A O no hydrogen 2.908 N/A ILE 154.A N LYS 167.A O no hydrogen 2.859 N/A GLY 156.A N ASP 155.A OD1 no hydrogen 2.954 N/A GLY 157.A N TRP 165.A O no hydrogen 2.976 N/A PHE 159.A N ARG 163.A O.A no hydrogen 2.813 N/A PHE 159.A N ARG 163.A O.B no hydrogen 3.104 N/A ARG 163.A N.A ASP 161.A OD1 no hydrogen 3.305 N/A ARG 163.A N.B ASP 161.A OD1 no hydrogen 3.299 N/A ARG 163.A NE.B ASP 161.A OD1 no hydrogen 3.230 N/A ARG 163.A NE.B ASP 161.A OD2 no hydrogen 2.759 N/A ARG 163.A NH1.A ILE 25.A O no hydrogen 3.090 N/A ARG 163.A NH2.A ILE 25.A O no hydrogen 3.070 N/A ARG 163.A NH2.B ASP 161.A OD2 no hydrogen 2.809 N/A HIS 164.A N ALA 139.A O no hydrogen 2.889 N/A HIS 164.A NE2 TYR 144.A O no hydrogen 2.726 N/A TRP 165.A N GLY 157.A O no hydrogen 2.908 N/A VAL 166.A N ILE 137.A O no hydrogen 3.039 N/A LYS 167.A N ASP 155.A O no hydrogen 2.977 N/A TRP 168.A N THR 135.A O no hydrogen 2.768 N/A TRP 168.A NE1 LEU 147.A O no hydrogen 2.987 N/A GLU 169.A N ASN 152.A O no hydrogen 2.762 N/A ASP 170.A N PHE 133.A O no hydrogen 3.016 N/A PHE 172.A N ASP 170.A OD1 no hydrogen 3.022 N/A LYS 174.A N SER 131.A O no hydrogen 2.888 N/A LYS 174.A NZ ASP 170.A OD2 no hydrogen 2.658 N/A SER 176.A OG ASP 126.A OD1 no hydrogen 2.531 N/A TYR 177.A OH THR 296.A OG1 no hydrogen 2.744 N/A LEU 178.A N PRO 175.A O no hydrogen 3.056 N/A PHE 179.A N SER 176.A O no hydrogen 3.170 N/A ALA 180.A N ASN 150.A OD1 no hydrogen 3.015 N/A LEU 181.A N THR 111.A OG1 no hydrogen 2.932 N/A VAL 182.A N LEU 148.A O no hydrogen 3.017 N/A ALA 183.A N LEU 109.A O no hydrogen 2.992 N/A GLY 184.A N VAL 146.A O no hydrogen 2.807 N/A ASP 185.A N ASN 108.A OD1 no hydrogen 2.845 N/A ALA 187.A N THR 206.A O no hydrogen 2.836 N/A THR 189.A N PHE 204.A O no hydrogen 2.746 N/A ASP 191.A N ILE 202.A O no hydrogen 2.822 N/A TYR 192.A N ASP 191.A OD1 no hydrogen 2.721 N/A PHE 193.A N VAL 200.A O no hydrogen 3.019 N/A THR 194.A OG1 ASN 199.A OD1 no hydrogen 2.624 N/A THR 195.A N ARG 198.A O no hydrogen 2.838 N/A THR 195.A OG1 SER 196.A OG no hydrogen 3.298 N/A THR 195.A OG1 ARG 198.A O no hydrogen 3.333 N/A THR 195.A OG1 GLU 234.A OE1 no hydrogen 2.791 N/A SER 196.A OG THR 195.A OG1 no hydrogen 3.298 N/A SER 196.A OG GLU 234.A OE1 no hydrogen 2.532 N/A GLY 197.A N THR 195.A O no hydrogen 2.889 N/A ARG 198.A N THR 195.A OG1 no hydrogen 3.282 N/A VAL 200.A N PHE 193.A O no hydrogen 2.739 N/A LYS 201.A N ASP 238.A O no hydrogen 2.878 N/A ILE 202.A N ASP 191.A O no hydrogen 2.838 N/A GLU 203.A N PHE 240.A O no hydrogen 3.138 N/A PHE 204.A N THR 189.A O no hydrogen 2.810 N/A TYR 205.A N VAL 241.A O no hydrogen 2.851 N/A TYR 205.A OH GLU 203.A OE1 no hydrogen 2.705 N/A THR 206.A N ALA 187.A O no hydrogen 3.078 N/A THR 206.A OG1 THR 207.A O no hydrogen 2.900 N/A ASP 210.A N THR 207.A O no hydrogen 3.142 N/A ASP 210.A N THR 207.A OG1 no hydrogen 3.122 N/A LYS 211.A N GLU 208.A O no hydrogen 3.436 N/A LYS 213.A N ASP 210.A O no hydrogen 2.934 N/A LYS 213.A NZ THR 269.A OG1 no hydrogen 2.847 N/A LYS 213.A NZ ASP 721.A OD1 no hydrogen 3.542 N/A LYS 213.A NZ ASP 721.A OD2 no hydrogen 2.996 N/A VAL 214.A N LYS 211.A O no hydrogen 3.288 N/A VAL 218.A N VAL 214.A O no hydrogen 3.176 N/A GLU 219.A N GLY 215.A O no hydrogen 3.021 N/A SER 220.A N PHE 216.A O no hydrogen 2.886 N/A SER 220.A OG PHE 216.A O no hydrogen 2.908 N/A LEU 221.A N ALA 217.A O no hydrogen 2.833 N/A LYS 222.A N VAL 218.A O no hydrogen 3.083 N/A LYS 222.A NZ ASP 191.A OD1 no hydrogen 2.974 N/A LYS 222.A NZ TYR 192.A O no hydrogen 3.040 N/A ASN 223.A N GLU 219.A O no hydrogen 2.981 N/A ALA 224.A N SER 220.A O no hydrogen 2.868 N/A TRP 226.A N ASN 223.A O no hydrogen 2.970 N/A TRP 226.A NE1 ASP 320.A OD2 no hydrogen 2.884 N/A ASP 227.A N ALA 224.A O no hydrogen 2.894 N/A THR 229.A N LYS 225.A O no hydrogen 2.851 N/A THR 229.A OG1 LYS 225.A O no hydrogen 3.445 N/A THR 229.A OG1 TRP 226.A O no hydrogen 3.433 N/A ARG 230.A N TRP 226.A O no hydrogen 2.807 N/A ARG 230.A NE GLU 381.A OE2 no hydrogen 2.752 N/A ARG 230.A NH1 GLU 316.A OE1 no hydrogen 2.957 N/A ARG 230.A NH1 GLU 381.A OE1 no hydrogen 2.809 N/A ARG 230.A NH1 GLU 381.A OE2 no hydrogen 3.501 N/A ARG 230.A NH2 GLU 316.A OE1 no hydrogen 3.028 N/A ARG 230.A NH2 ASP 320.A OD2 no hydrogen 2.876 N/A PHE 231.A N ASP 227.A O no hydrogen 3.118 N/A GLY 232.A N GLU 228.A O no hydrogen 3.039 N/A LEU 233.A N ASP 227.A O no hydrogen 2.913 N/A TYR 235.A OH ILE 239.A O no hydrogen 2.751 N/A PHE 240.A N LYS 201.A O no hydrogen 2.903 N/A VAL 242.A N ASN 256.A O no hydrogen 2.954 N/A ALA 243.A N TYR 205.A O no hydrogen 2.881 N/A VAL 244.A N PHE 258.A O no hydrogen 2.822 N/A ASN 248.A ND2 SER 99.A O no hydrogen 2.933 N/A ASN 248.A ND2 GLN 798.A OE1 no hydrogen 3.270 N/A LYS 253.A NZ ASP 236.A OD1 no hydrogen 3.119 N/A LYS 253.A NZ ASP 236.A OD2 no hydrogen 2.655 N/A LYS 253.A NZ ASN 289.A OD1 no hydrogen 2.781 N/A LEU 255.A N ASN 252.A O no hydrogen 2.934 N/A ASN 256.A ND2 ASN 252.A O no hydrogen 2.886 N/A PHE 258.A N VAL 242.A O no hydrogen 2.783 N/A ASN 259.A N GLY 249.A O no hydrogen 2.840 N/A ASN 259.A ND2 ASN 758.A OD1 no hydrogen 2.896 N/A THR 260.A N VAL 244.A O no hydrogen 3.119 N/A THR 260.A OG1 ASN 259.A OD1 no hydrogen 3.556 N/A LYS 261.A N ASN 259.A OD1 no hydrogen 3.091 N/A PHE 262.A N ASN 259.A O no hydrogen 2.889 N/A VAL 263.A N THR 260.A O no hydrogen 3.117 N/A LEU 264.A N THR 260.A O no hydrogen 3.049 N/A ALA 265.A N LYS 213.A O no hydrogen 2.908 N/A SER 267.A OG GLU 650.A OE2 no hydrogen 2.648 N/A THR 269.A N ASP 266.A O no hydrogen 3.224 N/A THR 269.A N ASP 266.A OD1 no hydrogen 2.832 N/A THR 269.A OG1 ASP 266.A OD1 no hydrogen 2.777 N/A ALA 270.A N ASP 266.A O no hydrogen 2.933 N/A THR 271.A N ASP 274.A OD2 no hydrogen 2.952 N/A ASP 272.A N THR 690.A OG1 no hydrogen 2.779 N/A ASP 274.A N THR 271.A OG1 no hydrogen 3.011 N/A PHE 275.A N THR 271.A O no hydrogen 3.125 N/A GLU 276.A N ASP 272.A O no hydrogen 3.024 N/A GLY 277.A N THR 273.A O no hydrogen 2.932 N/A ILE 278.A N ASP 274.A O no hydrogen 2.919 N/A GLU 279.A N PHE 275.A O no hydrogen 3.024 N/A SER 280.A N GLU 276.A O no hydrogen 2.912 N/A SER 280.A OG GLU 276.A O no hydrogen 2.988 N/A SER 280.A OG SER 318.A OG no hydrogen 3.349 N/A VAL 281.A N GLY 277.A O no hydrogen 2.860 N/A VAL 282.A N ILE 278.A O no hydrogen 2.845 N/A GLY 283.A N GLU 279.A O no hydrogen 3.201 N/A HIS 284.A N SER 280.A O no hydrogen 2.839 N/A HIS 284.A ND1 ASP 314.A OD2 no hydrogen 2.740 N/A GLU 285.A N VAL 281.A O no hydrogen 2.909 N/A TYR 286.A N VAL 282.A O no hydrogen 3.080 N/A PHE 287.A N GLY 283.A O no hydrogen 2.663 N/A HIS 288.A N HIS 284.A O no hydrogen 3.194 N/A HIS 288.A N GLU 285.A O no hydrogen 3.245 N/A HIS 288.A ND1 THR 291.A O no hydrogen 2.774 N/A HIS 288.A NE2 GLU 307.A OE1 no hydrogen 3.140 N/A ASN 289.A N TYR 286.A O no hydrogen 2.917 N/A ASN 289.A ND2 ASP 236.A OD1 no hydrogen 2.984 N/A TRP 290.A NE1 GLU 234.A O no hydrogen 2.985 N/A THR 291.A N PHE 287.A O no hydrogen 3.154 N/A THR 291.A OG1 PHE 287.A O no hydrogen 3.008 N/A THR 291.A OG1 THR 310.A OG1 no hydrogen 2.769 N/A GLY 292.A N TRP 290.A O no hydrogen 3.172 N/A ASN 293.A N HIS 288.A O no hydrogen 2.913 N/A ASN 293.A ND2 GLU 251.A O no hydrogen 2.933 N/A ARG 294.A N ASN 289.A O no hydrogen 2.935 N/A ARG 294.A NE ASP 395.A OD1 no hydrogen 2.930 N/A ARG 294.A NH1 ASP 236.A OD2 no hydrogen 2.777 N/A ARG 294.A NH2 ASP 395.A OD1 no hydrogen 3.528 N/A ARG 294.A NH2 ASP 395.A OD2 no hydrogen 2.784 N/A VAL 295.A N TRP 290.A O no hydrogen 3.293 N/A THR 296.A N GLN 397.A O no hydrogen 3.041 N/A THR 296.A OG1 TYR 177.A OH no hydrogen 2.744 N/A THR 296.A OG1 GLY 292.A O no hydrogen 3.136 N/A CYS 297.A SG GLN 302.A O no hydrogen 3.769 N/A ARG 298.A N VAL 399.A O no hydrogen 2.820 N/A ARG 298.A NE ASP 299.A OD2 no hydrogen 2.688 N/A ARG 298.A NH2 ASP 299.A OD2 no hydrogen 2.977 N/A GLN 302.A N ASP 299.A O no hydrogen 3.121 N/A GLN 302.A NE2 ASP 299.A OD1 no hydrogen 3.478 N/A GLN 302.A NE2 ASP 299.A OD2 no hydrogen 3.291 N/A LEU 303.A N TRP 300.A O no hydrogen 3.155 N/A SER 304.A OG VAL 365.A O no hydrogen 2.577 N/A LEU 305.A N GLN 302.A O no hydrogen 2.654 N/A LYS 306.A N LEU 303.A O no hydrogen 3.132 N/A LYS 306.A NZ GLU 114.A OE1 no hydrogen 3.215 N/A LYS 306.A NZ GLU 114.A OE2 no hydrogen 2.671 N/A LYS 306.A NZ GLU 251.A OE2 no hydrogen 2.977 N/A LYS 306.A NZ GLU 307.A OE2 no hydrogen 2.605 N/A GLU 307.A N LEU 303.A O no hydrogen 2.925 N/A GLY 308.A N SER 304.A O no hydrogen 2.795 N/A THR 310.A N LYS 306.A O no hydrogen 2.918 N/A THR 310.A OG1 HIS 288.A ND1 no hydrogen 3.120 N/A THR 310.A OG1 THR 291.A O no hydrogen 2.852 N/A THR 310.A OG1 THR 291.A OG1 no hydrogen 2.769 N/A THR 310.A OG1 LYS 306.A O no hydrogen 2.678 N/A VAL 311.A N GLU 307.A O no hydrogen 2.796 N/A PHE 312.A N GLY 308.A O no hydrogen 2.976 N/A ARG 313.A N LEU 309.A O no hydrogen 2.969 N/A ARG 313.A NE THR 291.A OG1 no hydrogen 3.016 N/A ARG 313.A NH1 ASP 227.A OD1 no hydrogen 2.739 N/A ARG 313.A NH2 ASP 227.A OD1 no hydrogen 3.381 N/A ARG 313.A NH2 ASP 227.A OD2 no hydrogen 2.924 N/A ARG 313.A NH2 PHE 287.A O no hydrogen 2.950 N/A ASP 314.A N THR 310.A O no hydrogen 2.807 N/A GLN 315.A N VAL 311.A O no hydrogen 2.817 N/A GLU 316.A N PHE 312.A O no hydrogen 2.919 N/A PHE 317.A N ARG 313.A O no hydrogen 2.849 N/A SER 318.A N ASP 314.A O no hydrogen 3.057 N/A SER 318.A OG SER 280.A OG no hydrogen 3.349 N/A SER 318.A OG ASP 314.A O no hydrogen 3.183 N/A GLY 319.A N GLN 315.A O no hydrogen 2.923 N/A ASP 320.A N GLU 316.A O no hydrogen 2.955 N/A ARG 321.A N PHE 317.A O no hydrogen 2.933 N/A ARG 321.A NE GLU 279.A OE2 no hydrogen 3.060 N/A ALA 322.A N SER 318.A O no hydrogen 3.192 N/A ARG 324.A NH2 ASP 320.A OD1 no hydrogen 2.809 N/A ARG 327.A N SER 323.A O no hydrogen 2.923 N/A ARG 327.A NH1 GLU 279.A OE1 no hydrogen 3.540 N/A ARG 327.A NH1 SER 318.A O no hydrogen 2.844 N/A ARG 328.A N ARG 324.A O no hydrogen 3.014 N/A ARG 328.A NE GLY 513.A O no hydrogen 3.167 N/A ARG 328.A NH1 GLU 371.A OE1 no hydrogen 3.440 N/A ARG 328.A NH1 GLU 371.A OE2 no hydrogen 2.788 N/A ARG 328.A NH2 GLU 371.A OE1 no hydrogen 2.880 N/A ARG 328.A NH2 GLY 513.A O no hydrogen 3.080 N/A ARG 328.A NH2 PHE 514.A O no hydrogen 3.108 N/A ILE 329.A N ALA 325.A O no hydrogen 2.984 N/A GLU 330.A N VAL 326.A O no hydrogen 2.979 N/A ASN 331.A N ARG 327.A O no hydrogen 3.158 N/A ILE 332.A N ARG 328.A O no hydrogen 3.095 N/A ARG 333.A N ILE 329.A O no hydrogen 2.800 N/A LEU 334.A N GLU 330.A O no hydrogen 2.944 N/A LEU 335.A N ASN 331.A O no hydrogen 3.022 N/A ARG 336.A N ILE 332.A O no hydrogen 2.906 N/A ARG 336.A NH1 GLU 544.A OE1 no hydrogen 2.670 N/A ARG 336.A NH2 GLU 544.A OE1 no hydrogen 2.989 N/A GLN 337.A N ARG 333.A O no hydrogen 2.877 N/A GLN 337.A NE2 GLU 602.A OE2 no hydrogen 2.541 N/A HIS 338.A N LEU 334.A O no hydrogen 3.032 N/A GLN 339.A N LEU 335.A O no hydrogen 2.736 N/A GLN 339.A NE2 ASP 343.A OD2 no hydrogen 3.075 N/A GLN 339.A NE2 THR 364.A OG1 no hydrogen 2.923 N/A PHE 340.A N LEU 335.A O no hydrogen 3.015 N/A ASP 343.A N GLN 339.A O no hydrogen 2.967 N/A ALA 344.A N PHE 340.A O no hydrogen 2.986 N/A GLY 345.A N GLU 342.A O no hydrogen 3.230 N/A ALA 348.A N GLY 345.A O no hydrogen 3.207 N/A HIS 349.A ND1 THR 347.A O no hydrogen 2.846 N/A HIS 349.A NE2 THR 363.A OG1 no hydrogen 2.756 N/A ARG 352.A N TYR 422.A O no hydrogen 2.979 N/A TYR 356.A N HIS 4.A O no hydrogen 2.933 N/A GLU 357.A N GLU 840.A OE2 no hydrogen 2.794 N/A GLU 358.A N GLU 840.A OE1 no hydrogen 2.896 N/A ASN 359.A ND2 ASP 837.A OD2 no hydrogen 3.507 N/A ASN 360.A N GLU 358.A O no hydrogen 3.024 N/A ASN 360.A ND2 ASP 837.A O no hydrogen 2.972 N/A ASN 360.A ND2 GLU 840.A OE1 no hydrogen 2.959 N/A TYR 362.A OH GLU 114.A OE2 no hydrogen 2.683 N/A THR 363.A OG1 HIS 349.A NE2 no hydrogen 2.756 N/A THR 364.A OG1 GLU 342.A OE1 no hydrogen 2.523 N/A VAL 365.A N THR 363.A OG1 no hydrogen 3.182 N/A TYR 366.A N THR 363.A O no hydrogen 2.951 N/A LYS 368.A NZ ASP 343.A OD2 no hydrogen 3.262 N/A LYS 368.A NZ GLY 426.A O no hydrogen 3.320 N/A GLY 369.A N THR 364.A O no hydrogen 2.929 N/A ALA 370.A N TYR 366.A O no hydrogen 2.877 N/A GLU 371.A N GLU 367.A O no hydrogen 3.062 N/A VAL 372.A N LYS 368.A O no hydrogen 2.906 N/A VAL 373.A N GLY 369.A O no hydrogen 3.122 N/A ARG 374.A N ALA 370.A O no hydrogen 2.811 N/A ARG 374.A NH1 GLU 316.A OE2 no hydrogen 2.828 N/A ARG 374.A NH2 GLN 315.A OE1 no hydrogen 3.028 N/A ARG 374.A NH2 GLU 316.A OE2 no hydrogen 3.013 N/A TYR 375.A OH TYR 422.A OH no hydrogen 2.785 N/A HIS 376.A N VAL 373.A O no hydrogen 3.399 N/A HIS 376.A NE2 GLU 381.A OE1 no hydrogen 2.698 N/A THR 377.A N ARG 374.A O no hydrogen 2.843 N/A THR 377.A OG1 ARG 374.A O no hydrogen 3.193 N/A LEU 379.A N TYR 375.A O no hydrogen 2.919 N/A GLY 380.A N HIS 376.A O no hydrogen 2.807 N/A PHE 384.A N GLY 380.A O no hydrogen 2.898 N/A GLN 385.A N GLU 381.A O no hydrogen 2.917 N/A GLN 385.A NE2 GLU 381.A OE2 no hydrogen 3.104 N/A LYS 386.A N GLU 382.A O no hydrogen 2.962 N/A LYS 386.A NZ GLU 382.A OE2 no hydrogen 3.566 N/A GLY 387.A N GLY 383.A O no hydrogen 3.063 N/A LEU 389.A N LYS 386.A O no hydrogen 3.083 N/A TYR 390.A N GLY 387.A O no hydrogen 2.837 N/A GLN 392.A N LYS 388.A O no hydrogen 2.978 N/A ARG 393.A N LEU 389.A O no hydrogen 2.935 N/A ARG 393.A NH1 ASP 409.A OD2 no hydrogen 3.033 N/A ARG 393.A NH2 ASP 409.A OD2 no hydrogen 2.814 N/A HIS 394.A N TYR 390.A O no hydrogen 2.853 N/A HIS 394.A ND1 GLN 397.A OE1 no hydrogen 2.825 N/A ASP 395.A N PHE 391.A O no hydrogen 2.945 N/A GLY 396.A N ARG 294.A O no hydrogen 2.794 N/A GLN 397.A N HIS 394.A O no hydrogen 2.922 N/A VAL 399.A N THR 296.A O no hydrogen 3.051 N/A THR 400.A N ASP 403.A OD2 no hydrogen 3.030 N/A THR 400.A OG1 ASP 403.A OD2 no hydrogen 3.078 N/A CYS 401.A N GLN 302.A OE1 no hydrogen 2.960 N/A CYS 401.A SG GLN 302.A OE1 no hydrogen 3.715 N/A ASP 403.A N THR 400.A O no hydrogen 3.087 N/A ASP 403.A N THR 400.A OG1 no hydrogen 3.322 N/A PHE 404.A N THR 400.A O no hydrogen 3.450 N/A ARG 405.A N CYS 401.A O no hydrogen 3.056 N/A ARG 405.A NH2 ASP 402.A OD1 no hydrogen 2.947 N/A ALA 406.A N ASP 402.A O no hydrogen 2.843 N/A ALA 407.A N ASP 403.A O no hydrogen 2.921 N/A ASP 409.A N ALA 406.A O no hydrogen 2.771 N/A ALA 410.A N ALA 407.A O no hydrogen 2.975 N/A ASN 411.A N ALA 408.A O no hydrogen 3.350 N/A ASN 411.A ND2 GLY 383.A O no hydrogen 3.016 N/A GLY 412.A N ASP 409.A O no hydrogen 3.371 N/A ILE 413.A N ALA 408.A O no hydrogen 3.086 N/A ASN 414.A ND2 ASP 416.A OD2 no hydrogen 3.270 N/A ASP 416.A N ASN 414.A OD1 no hydrogen 2.815 N/A GLN 417.A NE2 PRO 459.A O no hydrogen 2.986 N/A GLN 417.A NE2 THR 491.A O no hydrogen 2.906 N/A PHE 418.A N LEU 415.A O no hydrogen 2.960 N/A ALA 419.A N ASP 416.A O no hydrogen 3.180 N/A LEU 420.A N GLN 417.A O no hydrogen 3.191 N/A TRP 421.A N PHE 418.A O no hydrogen 3.077 N/A TYR 422.A N ALA 419.A O no hydrogen 2.920 N/A TYR 422.A OH TYR 375.A OH no hydrogen 2.785 N/A SER 423.A N LEU 420.A O no hydrogen 3.272 N/A GLN 424.A N LEU 420.A O no hydrogen 2.938 N/A GLN 424.A NE2 GLN 458.A O no hydrogen 2.982 N/A GLY 426.A N ASP 343.A OD1 no hydrogen 3.048 N/A VAL 429.A N THR 448.A O no hydrogen 2.878 N/A LEU 430.A N HIS 519.A O no hydrogen 2.867 N/A GLU 431.A N LYS 446.A O no hydrogen 2.951 N/A ALA 432.A N ASN 521.A O no hydrogen 2.853 N/A GLU 433.A N THR 444.A O no hydrogen 2.937 N/A ARG 435.A N GLU 442.A O no hydrogen 2.974 N/A LYS 437.A N ILE 440.A O no hydrogen 2.927 N/A ASN 439.A ND2 VAL 502.A O no hydrogen 2.797 N/A ILE 440.A N LYS 437.A O no hydrogen 3.070 N/A PHE 441.A N LEU 499.A O no hydrogen 2.760 N/A GLU 442.A N ARG 435.A O no hydrogen 2.750 N/A LEU 443.A N PHE 497.A O no hydrogen 2.955 N/A THR 444.A N GLU 433.A O no hydrogen 2.724 N/A THR 444.A OG1 THR 496.A OG1 no hydrogen 3.383 N/A VAL 445.A N GLN 495.A O no hydrogen 2.855 N/A LYS 446.A N GLU 431.A O no hydrogen 2.858 N/A GLN 447.A N ALA 493.A O no hydrogen 2.945 N/A GLN 447.A NE2 GLU 492.A O no hydrogen 2.931 N/A THR 448.A N VAL 429.A O no hydrogen 3.040 N/A THR 452.A OG1 ASP 454.A OD1 no hydrogen 2.618 N/A LYS 457.A NZ ALA 425.A O no hydrogen 2.845 N/A LYS 457.A NZ PRO 450.A O no hydrogen 2.973 N/A LYS 457.A NZ THR 452.A OG1 no hydrogen 2.806 N/A GLN 458.A N GLN 424.A OE1 no hydrogen 2.831 N/A GLN 458.A NE2 ASP 456.A OD1 no hydrogen 3.089 N/A VAL 462.A N LEU 488.A O no hydrogen 2.723 N/A LYS 463.A N SER 515.A OG no hydrogen 3.042 N/A VAL 464.A N ALA 486.A O no hydrogen 2.891 N/A GLY 465.A N SER 509.A O no hydrogen 2.891 N/A LEU 467.A N VAL 507.A O no hydrogen 2.885 N/A ASN 468.A N GLU 472.A O no hydrogen 2.966 N/A ASN 468.A ND2 GLU 504.A OE1 no hydrogen 3.048 N/A ASN 470.A N ASN 468.A OD1 no hydrogen 2.890 N/A GLY 471.A N ASN 468.A O no hydrogen 2.761 N/A GLU 472.A N ASN 468.A OD1 no hydrogen 3.064 N/A VAL 474.A N LEU 466.A O no hydrogen 2.993 N/A PHE 476.A N ALA 483.A O no hydrogen 2.988 N/A ASP 477.A N GLU 500.A O no hydrogen 2.801 N/A TYR 478.A N LYS 481.A O no hydrogen 3.096 N/A ARG 482.A NH1 ASP 477.A OD2 no hydrogen 2.970 N/A ARG 482.A NH1 GLY 501.A O no hydrogen 2.689 N/A ALA 483.A N PHE 476.A O no hydrogen 2.997 N/A ALA 486.A N VAL 464.A O no hydrogen 3.189 N/A LEU 488.A N VAL 462.A O no hydrogen 2.780 N/A LEU 490.A N ILE 460.A O no hydrogen 2.888 N/A THR 491.A N GLN 495.A OE1 no hydrogen 2.687 N/A THR 491.A OG1 GLN 495.A OE1 no hydrogen 3.339 N/A GLU 492.A N GLN 495.A OE1 no hydrogen 2.971 N/A GLN 495.A N VAL 445.A O no hydrogen 2.986 N/A GLN 495.A NE2 LEU 489.A O no hydrogen 3.515 N/A THR 496.A OG1 THR 444.A OG1 no hydrogen 3.383 N/A PHE 497.A N LEU 443.A O no hydrogen 2.831 N/A LEU 499.A N PHE 441.A O no hydrogen 2.881 N/A GLU 500.A N ASP 477.A O no hydrogen 2.934 N/A VAL 502.A N ASN 439.A O no hydrogen 2.929 N/A VAL 507.A N LEU 467.A O no hydrogen 2.941 N/A SER 509.A N GLY 465.A O no hydrogen 2.809 N/A SER 509.A OG ASP 536.A OD2 no hydrogen 2.506 N/A SER 509.A OG THR 541.A OG1 no hydrogen 3.389 N/A ARG 512.A N LYS 463.A O no hydrogen 3.041 N/A ARG 512.A NE SER 509.A OG no hydrogen 2.973 N/A ARG 512.A NH1 GLU 485.A OE1 no hydrogen 2.964 N/A ARG 512.A NH2 ASP 536.A OD1 no hydrogen 2.821 N/A GLY 513.A N ASP 538.A OD2 no hydrogen 2.974 N/A PHE 514.A N LEU 511.A O no hydrogen 2.841 N/A SER 515.A OG PRO 461.A O no hydrogen 2.643 N/A VAL 518.A N ALA 516.A O no hydrogen 2.909 N/A HIS 519.A N PRO 428.A O no hydrogen 2.863 N/A ASN 521.A N LEU 430.A O no hydrogen 2.918 N/A ASN 521.A ND2 GLU 431.A OE1 no hydrogen 3.420 N/A TYR 524.A OH PRO 508.A O no hydrogen 2.675 N/A SER 525.A N ASP 528.A OD2 no hydrogen 2.942 N/A ASP 528.A N SER 525.A OG no hydrogen 2.955 N/A LEU 529.A N SER 525.A O no hydrogen 3.032 N/A LEU 530.A N ASP 526.A O no hydrogen 2.952 N/A LEU 531.A N ASP 527.A O no hydrogen 2.902 N/A LEU 532.A N ASP 528.A O no hydrogen 2.966 N/A LEU 533.A N LEU 529.A O no hydrogen 2.949 N/A ALA 534.A N LEU 530.A O no hydrogen 3.019 N/A HIS 535.A N LEU 531.A O no hydrogen 2.908 N/A ASP 536.A N LEU 532.A O no hydrogen 2.904 N/A THR 541.A N ASP 538.A OD2 no hydrogen 3.120 N/A THR 541.A OG1 SER 509.A OG no hydrogen 3.389 N/A THR 541.A OG1 ASP 536.A OD2 no hydrogen 2.575 N/A THR 541.A OG1 ASP 538.A O no hydrogen 3.179 N/A THR 541.A OG1 ASP 538.A OD2 no hydrogen 3.531 N/A ARG 542.A N ASP 538.A O no hydrogen 3.232 N/A ARG 542.A NE LEU 533.A O no hydrogen 2.888 N/A ARG 542.A NH2 LEU 533.A O no hydrogen 3.208 N/A TRP 543.A N ALA 539.A O no hydrogen 2.994 N/A GLU 544.A N PHE 540.A O no hydrogen 2.625 N/A ALA 545.A N THR 541.A O no hydrogen 3.076 N/A ALA 546.A N ARG 542.A O no hydrogen 3.235 N/A GLN 547.A N TRP 543.A O no hydrogen 2.887 N/A GLN 547.A NE2 GLY 596.A O no hydrogen 3.012 N/A THR 548.A N GLU 544.A O no hydrogen 2.875 N/A THR 548.A OG1 GLU 544.A O no hydrogen 2.773 N/A LEU 549.A N ALA 545.A O no hydrogen 3.097 N/A TYR 550.A N ALA 546.A O no hydrogen 2.899 N/A TYR 550.A OH LEU 594.A O no hydrogen 2.746 N/A ARG 551.A N GLN 547.A O no hydrogen 2.896 N/A ARG 552.A N THR 548.A O no hydrogen 2.908 N/A ARG 552.A NH1 TYR 524.A O no hydrogen 3.151 N/A ARG 552.A NH1 ASP 526.A OD1 no hydrogen 2.826 N/A ARG 552.A NH2 TYR 524.A O no hydrogen 2.981 N/A ALA 553.A N LEU 549.A O no hydrogen 2.964 N/A VAL 554.A N TYR 550.A O no hydrogen 2.879 N/A ALA 555.A N ARG 551.A O no hydrogen 2.880 N/A ALA 556.A N ARG 552.A O no hydrogen 2.966 N/A ASN 557.A N ALA 553.A O no hydrogen 2.864 N/A ASN 557.A ND2 ALA 618.A O no hydrogen 3.059 N/A LEU 558.A N VAL 554.A O no hydrogen 2.963 N/A ALA 559.A N ALA 555.A O no hydrogen 3.255 N/A THR 560.A N ALA 556.A O no hydrogen 3.170 N/A THR 560.A OG1 ASN 557.A O no hydrogen 3.225 N/A LEU 561.A N ASN 557.A O no hydrogen 2.955 N/A SER 562.A N LEU 558.A O no hydrogen 2.989 N/A ASP 563.A N ALA 559.A O no hydrogen 2.988 N/A GLY 564.A N LEU 561.A O no hydrogen 3.354 N/A VAL 565.A N THR 560.A O no hydrogen 3.058 N/A HIS 570.A NE2 ASN 557.A OD1 no hydrogen 2.776 N/A LYS 572.A NZ ASP 527.A OD1 no hydrogen 3.126 N/A LEU 574.A N HIS 570.A O no hydrogen 2.993 N/A ALA 575.A N GLU 571.A O no hydrogen 3.146 N/A ALA 576.A N LYS 572.A O no hydrogen 2.872 N/A VAL 577.A N LEU 573.A O no hydrogen 2.895 N/A GLU 578.A N LEU 574.A O no hydrogen 2.841 N/A LYS 579.A N ALA 575.A O no hydrogen 3.140 N/A VAL 580.A N ALA 576.A O no hydrogen 3.038 N/A ILE 581.A N VAL 577.A O no hydrogen 2.888 N/A SER 582.A N GLU 578.A O no hydrogen 3.063 N/A SER 582.A OG GLU 578.A O no hydrogen 3.036 N/A SER 582.A OG GLU 578.A OE2 no hydrogen 2.619 N/A ASP 583.A N VAL 580.A O no hydrogen 3.134 N/A LEU 585.A N ASP 583.A OD1 no hydrogen 2.849 N/A PHE 590.A N ASP 587.A OD2 no hydrogen 3.018 N/A LYS 591.A N ASP 587.A O no hydrogen 2.759 N/A LYS 591.A NZ ILE 581.A O no hydrogen 2.844 N/A LYS 591.A NZ ASP 583.A O no hydrogen 2.810 N/A ALA 592.A N ASN 588.A O no hydrogen 3.050 N/A LEU 593.A N ALA 589.A O no hydrogen 3.210 N/A LEU 594.A N PHE 590.A O no hydrogen 2.978 N/A LEU 595.A N ALA 592.A O no hydrogen 3.058 N/A GLY 596.A N LEU 593.A O no hydrogen 3.123 N/A SER 599.A N GLU 602.A OE2 no hydrogen 3.102 N/A GLU 600.A N GLU 600.A OE1 no hydrogen 2.887 N/A LEU 603.A N SER 599.A O no hydrogen 2.970 N/A TRP 604.A N GLU 600.A O no hydrogen 2.850 N/A ASP 605.A N GLU 602.A O no hydrogen 3.409 N/A ALA 607.A N TRP 604.A O no hydrogen 3.023 N/A ILE 610.A N LYS 812.A O no hydrogen 2.768 N/A LEU 613.A N ASP 611.A OD1 no hydrogen 2.969 N/A TYR 615.A N ASP 611.A O no hydrogen 3.444 N/A HIS 616.A N PRO 612.A O no hydrogen 2.891 N/A HIS 616.A ND1 GLU 600.A OE2 no hydrogen 2.721 N/A GLN 617.A N.A LEU 613.A O no hydrogen 2.734 N/A GLN 617.A N.B LEU 613.A O no hydrogen 2.755 N/A ALA 618.A N ARG 614.A O no hydrogen 3.058 N/A ARG 619.A N TYR 615.A O no hydrogen 2.943 N/A ARG 619.A NE PRO 598.A O no hydrogen 2.801 N/A ARG 619.A NH2 VAL 597.A O no hydrogen 2.950 N/A GLU 620.A N HIS 616.A O no hydrogen 2.901 N/A ALA 621.A N GLN 617.A O.A no hydrogen 2.854 N/A ALA 621.A N GLN 617.A O.B no hydrogen 3.202 N/A LEU 622.A N ALA 618.A O no hydrogen 3.137 N/A LEU 623.A N ARG 619.A O no hydrogen 2.908 N/A ASP 624.A N GLU 620.A O no hydrogen 2.802 N/A THR 625.A N ALA 621.A O no hydrogen 2.928 N/A THR 625.A OG1 ALA 621.A O no hydrogen 2.812 N/A LEU 626.A N LEU 622.A O no hydrogen 2.830 N/A ALA 627.A N LEU 623.A O no hydrogen 2.808 N/A VAL 628.A N ASP 624.A O no hydrogen 2.904 N/A HIS 629.A N THR 625.A O no hydrogen 2.807 N/A PHE 630.A N LEU 626.A O no hydrogen 3.305 N/A LEU 631.A N VAL 628.A O no hydrogen 3.281 N/A LYS 633.A NZ GLU 578.A OE2 no hydrogen 2.709 N/A TRP 634.A N PHE 630.A O no hydrogen 2.909 N/A TRP 634.A NE1 LEU 626.A O no hydrogen 3.006 N/A HIS 635.A N LEU 631.A O no hydrogen 3.121 N/A GLU 636.A N PRO 632.A O no hydrogen 3.092 N/A LEU 637.A N LYS 633.A O no hydrogen 2.934 N/A ASN 638.A N TRP 634.A O no hydrogen 3.034 N/A ARG 639.A N HIS 635.A O no hydrogen 3.016 N/A GLN 640.A N GLU 636.A O no hydrogen 2.948 N/A ALA 641.A N LEU 637.A O no hydrogen 2.867 N/A ALA 642.A N ASN 638.A O no hydrogen 2.800 N/A LYS 643.A N ARG 639.A O no hydrogen 3.030 N/A GLN 644.A N GLN 640.A O no hydrogen 3.076 N/A GLU 645.A N ALA 641.A O no hydrogen 2.920 N/A GLU 645.A N ALA 642.A O no hydrogen 3.249 N/A ASN 646.A N ALA 642.A O no hydrogen 3.209 N/A GLN 647.A NE2 ASN 646.A OD1 no hydrogen 3.236 N/A SER 648.A N GLU 645.A O no hydrogen 3.079 N/A ALA 655.A N SER 652.A OG no hydrogen 3.195 N/A ALA 656.A N SER 652.A O no hydrogen 2.923 N/A GLY 657.A N PRO 653.A O no hydrogen 3.092 N/A ARG 659.A N ALA 655.A O no hydrogen 3.111 N/A ARG 659.A NE ASP 272.A OD2 no hydrogen 2.841 N/A ARG 659.A NH1 GLU 645.A OE2 no hydrogen 2.770 N/A ARG 659.A NH1 SER 648.A O no hydrogen 2.755 N/A ARG 659.A NH2 ASP 272.A OD1 no hydrogen 3.021 N/A ARG 659.A NH2 ASP 272.A OD2 no hydrogen 3.394 N/A ARG 659.A NH2 GLU 650.A O no hydrogen 2.918 N/A THR 660.A N ALA 656.A O no hydrogen 2.887 N/A THR 660.A OG1 ALA 656.A O no hydrogen 2.996 N/A LEU 661.A N GLY 657.A O no hydrogen 3.179 N/A ARG 662.A N TRP 658.A O no hydrogen 2.887 N/A ARG 662.A NE ASN 638.A OD1 no hydrogen 2.847 N/A ASN 663.A N ARG 659.A O no hydrogen 2.850 N/A ASN 663.A ND2 THR 690.A O no hydrogen 3.175 N/A VAL 664.A N THR 660.A O no hydrogen 3.184 N/A CYS 665.A N LEU 661.A O no hydrogen 3.097 N/A CYS 665.A SG TRP 634.A O no hydrogen 3.611 N/A CYS 665.A SG LEU 661.A O no hydrogen 3.491 N/A ARG 666.A N ARG 662.A O no hydrogen 2.988 N/A ARG 666.A NH1 ASN 663.A OD1 no hydrogen 2.904 N/A ARG 666.A NH1 HIS 691.A ND1 no hydrogen 2.909 N/A ARG 666.A NH2 HIS 691.A ND1 no hydrogen 3.346 N/A ALA 667.A N ASN 663.A O no hydrogen 3.182 N/A PHE 668.A N VAL 664.A O no hydrogen 3.153 N/A VAL 669.A N CYS 665.A O no hydrogen 2.859 N/A LEU 670.A N ARG 666.A O no hydrogen 2.967 N/A ARG 671.A N ALA 667.A O no hydrogen 3.049 N/A ARG 671.A NH1 GLU 620.A OE1 no hydrogen 3.049 N/A ARG 671.A NH1 ASP 624.A OD1 no hydrogen 2.904 N/A ARG 671.A NH2 GLU 620.A OE1 no hydrogen 3.036 N/A ARG 671.A NH2 GLU 620.A OE2 no hydrogen 3.239 N/A ALA 672.A N PHE 668.A O no hydrogen 3.088 N/A ASP 673.A N VAL 669.A O no hydrogen 2.855 N/A HIS 676.A N ASP 673.A O no hydrogen 2.879 N/A ILE 677.A N PRO 674.A O no hydrogen 2.975 N/A GLU 678.A N ALA 675.A O no hydrogen 3.038 N/A VAL 680.A N HIS 676.A O no hydrogen 2.962 N/A ALA 681.A N ILE 677.A O no hydrogen 2.771 N/A GLU 682.A N GLU 678.A O no hydrogen 2.987 N/A LYS 683.A N THR 679.A O no hydrogen 3.291 N/A TYR 684.A N ALA 681.A O no hydrogen 3.136 N/A TYR 684.A OH GLU 692.A OE1 no hydrogen 2.495 N/A GLN 688.A NE2 GLY 685.A O no hydrogen 3.491 N/A GLN 688.A NE2 GLU 686.A O no hydrogen 3.150 N/A ASN 689.A ND2 TYR 649.A O no hydrogen 2.827 N/A HIS 691.A N ASN 689.A OD1 no hydrogen 2.965 N/A HIS 691.A NE2 GLU 645.A OE2 no hydrogen 2.869 N/A GLU 692.A N ASN 689.A O no hydrogen 3.100 N/A GLY 694.A N THR 690.A O no hydrogen 2.897 N/A ILE 695.A N HIS 691.A O no hydrogen 3.005 N/A LEU 696.A N GLU 692.A O no hydrogen 2.931 N/A SER 697.A N TRP 693.A O no hydrogen 2.734 N/A SER 697.A OG TRP 693.A O no hydrogen 2.916 N/A ALA 698.A N GLY 694.A O no hydrogen 3.027 N/A VAL 699.A N ILE 695.A O no hydrogen 3.014 N/A ASN 700.A N SER 697.A O no hydrogen 3.327 N/A ASN 700.A ND2 LEU 730.A O no hydrogen 2.830 N/A ASN 702.A N VAL 699.A O no hydrogen 2.826 N/A ASN 702.A ND2 PRO 674.A O no hydrogen 3.073 N/A SER 704.A N ASN 702.A OD1 no hydrogen 2.578 N/A SER 704.A OG GLU 678.A OE2 no hydrogen 3.034 N/A THR 706.A N SER 704.A OG no hydrogen 2.958 N/A THR 706.A OG1 GLU 678.A OE1 no hydrogen 2.344 N/A THR 706.A OG1 GLU 678.A OE2 no hydrogen 2.883 N/A ARG 707.A N SER 704.A O no hydrogen 3.122 N/A ARG 707.A NE ASN 700.A O no hydrogen 3.113 N/A ARG 707.A NE ASN 700.A OD1 no hydrogen 3.132 N/A ARG 707.A NH1 ASN 700.A OD1 no hydrogen 2.744 N/A ARG 707.A NH2 ASN 708.A OD1 no hydrogen 2.979 N/A ARG 707.A NH2 GLN 742.A OE1 no hydrogen 3.164 N/A ARG 709.A N ASP 705.A O no hydrogen 3.009 N/A LEU 710.A N THR 706.A O no hydrogen 2.856 N/A LEU 711.A N ARG 707.A O no hydrogen 3.132 N/A ALA 712.A N ASN 708.A O no hydrogen 3.032 N/A GLN 713.A N ARG 709.A O no hydrogen 2.938 N/A PHE 714.A N LEU 710.A O no hydrogen 2.921 N/A ALA 715.A N LEU 711.A O no hydrogen 3.011 N/A ASP 716.A N ALA 712.A O no hydrogen 2.964 N/A LYS 717.A N GLN 713.A O no hydrogen 2.906 N/A LYS 717.A NZ GLU 692.A OE2 no hydrogen 2.733 N/A PHE 718.A N PHE 714.A O no hydrogen 3.028 N/A SER 719.A N ASP 716.A O no hydrogen 3.486 N/A SER 719.A OG ASP 716.A O no hydrogen 3.552 N/A ASP 721.A N PHE 718.A O no hydrogen 2.986 N/A LEU 723.A N ASP 721.A OD1 no hydrogen 3.076 N/A LYS 726.A N VAL 724.A O no hydrogen 2.901 N/A LYS 726.A NZ ASP 274.A OD1 no hydrogen 3.516 N/A LYS 726.A NZ ASP 274.A OD2 no hydrogen 2.765 N/A TYR 727.A N VAL 724.A O no hydrogen 3.028 N/A ALA 729.A N ASP 725.A O no hydrogen 2.962 N/A LEU 730.A N LYS 726.A O no hydrogen 3.033 N/A VAL 731.A N TYR 727.A O no hydrogen 2.972 N/A GLY 732.A N PHE 728.A O no hydrogen 2.964 N/A SER 733.A N ALA 729.A O no hydrogen 3.002 N/A SER 733.A OG ALA 729.A O no hydrogen 2.855 N/A SER 734.A OG ASN 700.A O no hydrogen 2.681 N/A ARG 736.A N SER 734.A OG no hydrogen 3.059 N/A ARG 736.A NE ASP 738.A OD1 no hydrogen 3.121 N/A ARG 736.A NH1 ASN 702.A O no hydrogen 2.880 N/A ARG 736.A NH1 SER 704.A O no hydrogen 3.156 N/A ARG 736.A NH2 ASP 738.A OD2 no hydrogen 3.324 N/A SER 737.A N GLU 703.A OE2 no hydrogen 2.868 N/A THR 739.A OG1 SER 734.A O no hydrogen 2.737 N/A THR 739.A OG1 ARG 736.A O no hydrogen 3.120 N/A GLN 742.A N ASP 738.A O no hydrogen 3.301 N/A GLN 742.A NE2 ASN 708.A OD1 no hydrogen 3.143 N/A GLN 742.A NE2 ASP 738.A OD1 no hydrogen 3.256 N/A GLN 742.A NE2 ASP 738.A OD2 no hydrogen 3.218 N/A VAL 743.A N THR 739.A O no hydrogen 2.827 N/A ARG 744.A N LEU 740.A O no hydrogen 2.984 N/A ARG 744.A NH1 GLN 741.A OE1 no hydrogen 2.796 N/A THR 745.A N GLN 741.A O no hydrogen 2.995 N/A THR 745.A OG1 GLN 741.A O no hydrogen 3.516 N/A ALA 746.A N GLN 742.A O no hydrogen 2.921 N/A LEU 747.A N VAL 743.A O no hydrogen 3.001 N/A GLN 748.A N THR 745.A O no hydrogen 3.000 N/A HIS 749.A N ALA 746.A O no hydrogen 2.984 N/A LYS 751.A N HIS 749.A ND1 no hydrogen 3.093 N/A PHE 752.A N HIS 749.A O no hydrogen 2.947 N/A GLU 755.A N SER 753.A OG no hydrogen 3.311 N/A ASN 756.A N SER 753.A O no hydrogen 3.084 N/A ASN 756.A ND2 GLY 245.A O no hydrogen 2.927 N/A ASN 756.A ND2 ASP 246.A OD1 no hydrogen 2.722 N/A ASN 758.A ND2 ASN 259.A OD1 no hydrogen 2.910 N/A LYS 759.A N ASN 756.A OD1 no hydrogen 3.032 N/A LYS 759.A NZ ALA 722.A O no hydrogen 2.998 N/A LYS 759.A NZ ASP 725.A OD1 no hydrogen 2.797 N/A ALA 760.A N ASN 756.A O no hydrogen 2.959 N/A ARG 761.A N PRO 757.A O no hydrogen 2.927 N/A ARG 761.A NH1 ASN 248.A O no hydrogen 2.693 N/A ARG 761.A NH2 PHE 247.A O no hydrogen 3.389 N/A ARG 761.A NH2 ASN 248.A O no hydrogen 3.205 N/A ARG 761.A NH2 ASN 758.A OD1 no hydrogen 3.363 N/A SER 762.A N ASN 758.A O no hydrogen 2.875 N/A SER 762.A OG ASP 725.A O no hydrogen 3.368 N/A SER 762.A OG ASN 758.A O no hydrogen 2.663 N/A LEU 763.A N LYS 759.A O no hydrogen 3.008 N/A ILE 764.A N ALA 760.A O no hydrogen 2.875 N/A GLY 765.A N ALA 760.A O no hydrogen 3.221 N/A SER 766.A N ARG 761.A O no hydrogen 3.218 N/A SER 766.A OG SER 762.A O no hydrogen 2.523 N/A PHE 767.A N LEU 763.A O no hydrogen 3.111 N/A SER 768.A N ILE 764.A O no hydrogen 2.884 N/A SER 768.A OG GLY 765.A O no hydrogen 2.673 N/A ARG 769.A N GLY 765.A O no hydrogen 3.266 N/A ARG 769.A N SER 766.A O no hydrogen 3.034 N/A ASN 770.A N PHE 767.A O no hydrogen 2.955 N/A ASN 770.A ND2 GLY 732.A O no hydrogen 3.032 N/A ASN 770.A ND2 SER 734.A O no hydrogen 2.838 N/A HIS 773.A N ASN 770.A O no hydrogen 2.972 N/A HIS 773.A NE2 ARG 736.A O no hydrogen 2.653 N/A PHE 774.A N ASN 770.A O no hydrogen 2.809 N/A HIS 775.A N VAL 771.A O no hydrogen 3.011 N/A HIS 775.A ND1 TYR 782.A OH no hydrogen 2.809 N/A ALA 776.A N HIS 773.A O no hydrogen 3.292 N/A GLY 779.A N ALA 776.A O no hydrogen 3.004 N/A SER 780.A N ASP 778.A OD1 no hydrogen 2.881 N/A SER 780.A OG ASP 778.A OD1 no hydrogen 2.696 N/A TYR 782.A OH HIS 775.A ND1 no hydrogen 2.809 N/A ARG 783.A N GLY 779.A O no hydrogen 2.957 N/A ARG 783.A NH1 ASP 778.A O no hydrogen 2.842 N/A PHE 784.A N SER 780.A O no hydrogen 3.088 N/A ILE 785.A N GLY 781.A O no hydrogen 3.084 N/A ALA 786.A N TYR 782.A O no hydrogen 2.963 N/A ASP 787.A N ARG 783.A O no hydrogen 2.959 N/A LYS 788.A N PHE 784.A O no hydrogen 3.061 N/A LYS 788.A NZ GLU 791.A OE1 no hydrogen 2.863 N/A VAL 789.A N ILE 785.A O no hydrogen 2.859 N/A ILE 790.A N ALA 786.A O no hydrogen 3.083 N/A GLU 791.A N ASP 787.A O no hydrogen 3.042 N/A ILE 792.A N LYS 788.A O no hydrogen 2.949 N/A ASP 793.A N VAL 789.A O no hydrogen 2.851 N/A ARG 794.A N GLU 791.A O no hydrogen 3.307 N/A ARG 794.A NH2 GLN 831.A OE1 no hydrogen 3.350 N/A PHE 795.A N ILE 792.A O no hydrogen 2.914 N/A ASN 796.A N ILE 792.A O no hydrogen 2.769 N/A ASN 796.A ND2 ASN 248.A OD1 no hydrogen 2.983 N/A GLN 798.A N ASN 796.A OD1 no hydrogen 3.131 N/A VAL 799.A N ASN 796.A OD1 no hydrogen 3.186 N/A ALA 800.A N ASN 796.A O no hydrogen 3.144 N/A ALA 801.A N PRO 797.A O no hydrogen 2.861 N/A ARG 802.A N GLN 798.A O no hydrogen 3.193 N/A LEU 803.A N VAL 799.A O no hydrogen 2.966 N/A VAL 804.A N ALA 800.A O no hydrogen 2.927 N/A GLN 805.A NE2 ALA 801.A O no hydrogen 3.197 N/A ALA 806.A N LEU 803.A O no hydrogen 2.978 N/A PHE 807.A N VAL 804.A O no hydrogen 2.993 N/A ASN 808.A N GLN 805.A O no hydrogen 3.019 N/A ASN 808.A ND2 GLN 805.A OE1 no hydrogen 3.537 N/A CYS 810.A N PHE 807.A O no hydrogen 2.901 N/A LYS 812.A N LEU 809.A O no hydrogen 2.812 N/A LYS 812.A NZ ASN 811.A OD1 no hydrogen 2.825 N/A LEU 813.A N CYS 810.A O no hydrogen 3.052 N/A GLU 814.A N ILE 610.A O no hydrogen 2.885 N/A HIS 816.A N GLU 814.A OE2 no hydrogen 2.891 N/A HIS 816.A NE2 GLU 777.A O no hydrogen 2.834 N/A ARG 817.A N GLU 814.A OE1 no hydrogen 2.863 N/A ARG 817.A NE HIS 775.A O no hydrogen 2.828 N/A ARG 817.A NH1 GLU 814.A OE1 no hydrogen 3.010 N/A ARG 817.A NH2 HIS 775.A O no hydrogen 3.241 N/A LYS 818.A N GLU 814.A O no hydrogen 2.865 N/A LYS 818.A NZ ASN 811.A O no hydrogen 3.542 N/A ASN 819.A N PRO 815.A O no hydrogen 3.025 N/A ASN 819.A ND2 GLN 823.A OE1 no hydrogen 3.024 N/A LEU 820.A N HIS 816.A O no hydrogen 3.280 N/A VAL 821.A N ARG 817.A O no hydrogen 2.966 N/A LYS 822.A N LYS 818.A O no hydrogen 2.913 N/A GLN 823.A N ASN 819.A O no hydrogen 3.010 N/A ALA 824.A N LEU 820.A O no hydrogen 3.135 N/A LEU 825.A N VAL 821.A O no hydrogen 2.928 N/A GLN 826.A N LYS 822.A O no hydrogen 2.952 N/A ARG 827.A N GLN 823.A O no hydrogen 3.015 N/A ARG 827.A NH1 ASP 787.A OD1 no hydrogen 2.869 N/A ARG 827.A NH2 ARG 783.A O no hydrogen 3.509 N/A ARG 827.A NH2 ASP 787.A OD1 no hydrogen 3.155 N/A ILE 828.A N ALA 824.A O no hydrogen 2.975 N/A ARG 829.A N LEU 825.A O no hydrogen 2.976 N/A ARG 829.A NH1 ASP 847.A OD1 no hydrogen 2.908 N/A ARG 829.A NH1 ASP 847.A OD2 no hydrogen 3.561 N/A ARG 829.A NH2 ASP 847.A OD1 no hydrogen 3.531 N/A ARG 829.A NH2 ASP 847.A OD2 no hydrogen 2.863 N/A ALA 830.A N GLN 826.A O no hydrogen 2.843 N/A GLN 831.A N ILE 828.A O no hydrogen 3.113 N/A LEU 834.A N GLN 831.A O no hydrogen 3.342 N/A SER 835.A N ASP 793.A OD2 no hydrogen 2.901 N/A SER 835.A OG ASP 793.A OD1 no hydrogen 2.539 N/A SER 835.A OG ASP 793.A OD2 no hydrogen 3.480 N/A LYS 836.A NZ THR 2.A O no hydrogen 3.138 N/A LYS 836.A NZ GLU 357.A O no hydrogen 2.944 N/A VAL 838.A N SER 835.A OG no hydrogen 2.982 N/A GLY 839.A N SER 835.A O no hydrogen 3.023 N/A GLU 840.A N LYS 836.A O no hydrogen 2.902 N/A VAL 842.A N VAL 838.A O no hydrogen 2.895 N/A GLY 843.A N GLY 839.A O no hydrogen 3.014 N/A LYS 844.A N GLU 840.A O no hydrogen 3.285 N/A ILE 845.A N ILE 841.A O no hydrogen 3.116 N/A LEU 846.A N VAL 842.A O no hydrogen 2.834 N/A ASP 847.A N GLY 843.A O no hydrogen 2.846 N/A