Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3seq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ARG 656.A O no hydrogen 3.563 N/A SER 1.A OG GLU 657.A OE1 no hydrogen 3.043 N/A MET 2.A N SER 1.A OG no hydrogen 2.725 N/A ASN 3.A N GLN 9.A OE1 no hydrogen 3.315 N/A TYR 5.A N ASN 3.A OD1 no hydrogen 3.088 N/A SER 6.A N ASN 3.A O no hydrogen 3.228 N/A TYR 8.A OH GLY 45.A O no hydrogen 2.740 N/A GLN 9.A N SER 6.A OG no hydrogen 3.035 N/A GLN 9.A NE2 ALA 315.A O no hydrogen 3.239 N/A HIS 10.A N ALA 7.A O no hydrogen 3.203 N/A HIS 10.A NE2 PHE 4.A O no hydrogen 2.667 N/A GLY 11.A N TYR 8.A O no hydrogen 3.057 N/A PHE 12.A N ALA 7.A O no hydrogen 3.116 N/A VAL 13.A N VAL 275.A O no hydrogen 2.976 N/A ARG 14.A N TYR 8.A OH no hydrogen 3.367 N/A ARG 14.A NE ASP 274.A OD1 no hydrogen 2.735 N/A ARG 14.A NE ASP 274.A OD2 no hydrogen 3.442 N/A ARG 14.A NH1 ASP 44.A O no hydrogen 2.962 N/A ARG 14.A NH1 ILE 318.A O no hydrogen 3.070 N/A ARG 14.A NH2 ASP 274.A OD2 no hydrogen 2.843 N/A ARG 14.A NH2 ILE 318.A O no hydrogen 2.729 N/A ARG 14.A NH2 GLY 319.A O no hydrogen 3.358 N/A VAL 15.A N ALA 273.A O no hydrogen 3.044 N/A ALA 16.A N LEU 48.A O no hydrogen 2.857 N/A ALA 17.A N SER 271.A O no hydrogen 2.923 N/A CYS 18.A N VAL 50.A O no hydrogen 2.818 N/A THR 19.A N ARG 269.A O no hydrogen 3.004 N/A THR 19.A OG1 ALA 233.A O no hydrogen 2.885 N/A HIS 21.A N SER 33.A OG no hydrogen 3.030 N/A THR 22.A N GLU 236.A O no hydrogen 3.065 N/A THR 22.A OG1 GLU 238.A OE2 no hydrogen 3.187 N/A THR 23.A N ASN 30.A OD1 no hydrogen 2.820 N/A GLY 25.A N SER 57.A O no hydrogen 3.090 N/A ASP 26.A N THR 23.A O no hydrogen 3.014 N/A ALA 29.A N ASP 26.A O no hydrogen 3.066 N/A ALA 29.A N ASP 26.A OD1 no hydrogen 3.222 N/A ASN 30.A N ASP 26.A O no hydrogen 3.158 N/A ASN 30.A ND2 THR 23.A O no hydrogen 3.301 N/A ASN 30.A ND2 LEU 56.A O no hydrogen 3.205 N/A ALA 31.A N PRO 27.A O no hydrogen 2.797 N/A ALA 32.A N ALA 28.A O no hydrogen 2.977 N/A SER 33.A N ALA 29.A O no hydrogen 3.058 N/A VAL 34.A N ASN 30.A O no hydrogen 2.845 N/A LEU 35.A N ALA 31.A O no hydrogen 2.814 N/A ASP 36.A N ALA 32.A O no hydrogen 3.179 N/A MET 37.A N SER 33.A O no hydrogen 3.106 N/A ALA 38.A N VAL 34.A O no hydrogen 2.760 N/A ARG 39.A N LEU 35.A O no hydrogen 3.057 N/A ALA 40.A N ASP 36.A O no hydrogen 3.174 N/A CYS 41.A N MET 37.A O no hydrogen 3.020 N/A CYS 41.A SG MET 37.A O no hydrogen 3.345 N/A HIS 42.A N ALA 38.A O no hydrogen 2.794 N/A ASP 43.A N ARG 39.A O no hydrogen 2.964 N/A ASP 44.A N ALA 40.A O no hydrogen 2.930 N/A GLY 45.A N HIS 42.A O no hydrogen 2.895 N/A ALA 46.A N CYS 41.A O no hydrogen 3.070 N/A ALA 47.A N ARG 14.A O no hydrogen 2.581 N/A ALA 49.A N VAL 91.A O no hydrogen 2.915 N/A VAL 50.A N ALA 16.A O no hydrogen 2.844 N/A PHE 51.A N VAL 93.A O no hydrogen 3.079 N/A GLU 53.A N SER 202.A O no hydrogen 2.959 N/A THR 55.A OG1 PRO 52.A O no hydrogen 2.386 N/A LEU 56.A N GLY 95.A O no hydrogen 2.953 N/A SER 57.A N LEU 54.A O no hydrogen 3.187 N/A SER 57.A OG LEU 54.A O no hydrogen 3.520 N/A SER 57.A OG GLY 58.A O no hydrogen 2.881 N/A GLY 58.A N LEU 54.A O no hydrogen 2.846 N/A TYR 59.A N GLU 238.A OE2 no hydrogen 2.974 N/A TYR 59.A OH GLU 133.A OE1 no hydrogen 2.788 N/A SER 60.A N GLU 238.A OE1 no hydrogen 3.005 N/A SER 60.A OG GLU 238.A OE1 no hydrogen 2.749 N/A VAL 64.A N ILE 61.A O no hydrogen 2.899 N/A LEU 65.A N GLU 62.A O no hydrogen 2.888 N/A LEU 66.A N ASP 63.A O no hydrogen 3.047 N/A GLN 67.A N VAL 64.A O no hydrogen 3.320 N/A GLN 67.A NE2 ASP 63.A O no hydrogen 3.581 N/A LEU 70.A N GLN 67.A O no hydrogen 2.914 N/A LEU 71.A N GLN 67.A O no hydrogen 3.027 N/A ASP 72.A N ASP 68.A O no hydrogen 2.852 N/A ALA 73.A N SER 69.A O no hydrogen 3.059 N/A VAL 74.A N LEU 70.A O no hydrogen 2.945 N/A GLU 75.A N LEU 71.A O no hydrogen 3.162 N/A ASP 76.A N ASP 72.A O no hydrogen 3.122 N/A ALA 77.A N ALA 73.A O no hydrogen 2.945 N/A LEU 78.A N VAL 74.A O no hydrogen 2.844 N/A LEU 79.A N GLU 75.A O no hydrogen 3.066 N/A ASP 80.A N ASP 76.A O no hydrogen 3.237 N/A LEU 81.A N ALA 77.A O no hydrogen 3.026 N/A VAL 82.A N LEU 78.A O no hydrogen 2.922 N/A THR 83.A N LEU 79.A O no hydrogen 2.982 N/A THR 83.A OG1 LEU 79.A O no hydrogen 2.844 N/A GLU 84.A N ASP 80.A O no hydrogen 2.803 N/A SER 85.A N LEU 81.A O no hydrogen 2.829 N/A SER 85.A N VAL 82.A O no hydrogen 3.225 N/A SER 85.A OG VAL 82.A O no hydrogen 2.940 N/A ALA 86.A N THR 83.A O no hydrogen 3.356 N/A ASP 87.A N GLU 84.A O no hydrogen 3.202 N/A LEU 88.A N SER 85.A O no hydrogen 3.140 N/A LEU 89.A N HIS 42.A ND1 no hydrogen 2.845 N/A VAL 91.A N ALA 47.A O no hydrogen 2.875 N/A LEU 92.A N ILE 111.A O no hydrogen 2.730 N/A VAL 93.A N ALA 49.A O no hydrogen 2.909 N/A VAL 94.A N VAL 109.A O no hydrogen 3.147 N/A GLY 95.A N THR 55.A OG1 no hydrogen 2.978 N/A ALA 96.A N THR 107.A O no hydrogen 3.046 N/A LEU 98.A N TYR 105.A O no hydrogen 3.082 N/A HIS 100.A N ARG 103.A O no hydrogen 2.901 N/A ARG 103.A N HIS 100.A O no hydrogen 3.133 N/A ARG 103.A NH2 ARG 134.A O no hydrogen 3.338 N/A TYR 105.A N LEU 98.A O no hydrogen 2.829 N/A ASN 106.A ND2 GLU 53.A OE2 no hydrogen 2.720 N/A THR 107.A N ALA 96.A O no hydrogen 3.119 N/A THR 107.A OG1 ALA 96.A O no hydrogen 2.822 N/A ALA 108.A N VAL 120.A O no hydrogen 2.715 N/A VAL 109.A N VAL 94.A O no hydrogen 2.621 N/A VAL 110.A N GLY 118.A O no hydrogen 2.984 N/A ILE 111.A N LEU 92.A O no hydrogen 2.684 N/A HIS 112.A N ALA 115.A O no hydrogen 2.876 N/A ARG 113.A NH1 ALA 86.A O no hydrogen 3.371 N/A GLY 114.A N SER 85.A OG no hydrogen 2.849 N/A ALA 115.A N HIS 112.A O no hydrogen 3.015 N/A LEU 117.A N VAL 110.A O no hydrogen 2.786 N/A VAL 119.A N ALA 155.A O no hydrogen 2.863 N/A VAL 120.A N ALA 108.A O no hydrogen 2.953 N/A LYS 122.A N ASN 106.A O no hydrogen 2.618 N/A LYS 122.A NZ GLU 53.A OE2 no hydrogen 2.750 N/A LYS 122.A NZ GLU 133.A OE1 no hydrogen 3.032 N/A LYS 122.A NZ GLU 133.A OE2 no hydrogen 2.884 N/A SER 123.A N ASP 179.A OD1 no hydrogen 2.921 N/A SER 123.A N ASP 179.A OD2 no hydrogen 3.394 N/A TYR 124.A N ASP 179.A OD1 no hydrogen 3.044 N/A THR 127.A OG1 LEU 125.A O no hydrogen 3.351 N/A TYR 128.A OH GLU 178.A OE1 no hydrogen 3.350 N/A TYR 128.A OH GLU 178.A OE2 no hydrogen 2.697 N/A GLU 130.A N GLU 130.A OE1 no hydrogen 3.008 N/A PHE 131.A N TYR 128.A O no hydrogen 2.760 N/A GLU 133.A N PRO 126.A O no hydrogen 3.049 N/A ARG 134.A N THR 127.A OG1 no hydrogen 3.152 N/A ARG 135.A N TYR 132.A O no hydrogen 3.080 N/A ARG 135.A NE ASP 63.A OD1 no hydrogen 2.808 N/A ARG 135.A NE ASP 63.A OD2 no hydrogen 3.039 N/A ARG 135.A NH2 ASP 63.A OD2 no hydrogen 2.821 N/A GLN 136.A N GLU 133.A O no hydrogen 3.279 N/A GLN 136.A NE2 GLU 62.A OE1 no hydrogen 2.755 N/A GLN 136.A NE2 ASP 63.A OD1 no hydrogen 2.788 N/A MET 137.A N GLU 133.A O no hydrogen 2.945 N/A ALA 138.A N ILE 104.A O no hydrogen 2.951 N/A GLY 140.A N LYS 122.A O no hydrogen 2.907 N/A GLU 143.A N GLY 140.A O no hydrogen 2.906 N/A ARG 144.A NH1 GLU 143.A O no hydrogen 3.203 N/A ILE 147.A N VAL 154.A O no hydrogen 2.864 N/A ILE 149.A N ALA 152.A O no hydrogen 2.959 N/A ALA 152.A N ILE 149.A O no hydrogen 3.130 N/A VAL 154.A N ILE 147.A O no hydrogen 2.974 N/A PHE 156.A N GLY 145.A O no hydrogen 2.841 N/A GLY 157.A N VAL 119.A O no hydrogen 3.100 N/A LEU 161.A N ARG 305.A O no hydrogen 2.930 N/A PHE 162.A N LEU 172.A O no hydrogen 2.865 N/A ALA 163.A N ILE 307.A O no hydrogen 2.864 N/A ALA 164.A N PHE 170.A O no hydrogen 3.196 N/A SER 165.A N PHE 309.A O no hydrogen 2.869 N/A LEU 167.A N ALA 164.A O no hydrogen 3.251 N/A PHE 170.A N LEU 167.A O no hydrogen 2.870 N/A VAL 171.A N THR 196.A OG1 no hydrogen 3.018 N/A LEU 172.A N PHE 162.A O no hydrogen 2.741 N/A HIS 173.A N VAL 197.A O no hydrogen 3.093 N/A GLU 175.A N ALA 199.A O no hydrogen 2.945 N/A ILE 176.A N ASP 179.A OD2 no hydrogen 2.756 N/A ALA 177.A N ASN 200.A OD1 no hydrogen 2.853 N/A ASP 179.A N ILE 176.A O no hydrogen 2.889 N/A MET 180.A N ALA 177.A O no hydrogen 2.997 N/A PHE 181.A N GLU 178.A O no hydrogen 2.926 N/A SER 187.A N GLU 175.A OE1 no hydrogen 3.003 N/A SER 187.A OG GLU 175.A OE1 no hydrogen 3.184 N/A SER 187.A OG GLU 175.A OE2 no hydrogen 2.794 N/A ALA 188.A N PRO 185.A O no hydrogen 3.033 N/A ALA 190.A N PRO 186.A O no hydrogen 2.978 N/A ALA 191.A N SER 187.A O no hydrogen 2.861 N/A LEU 192.A N ALA 188.A O no hydrogen 3.185 N/A ALA 193.A N GLU 189.A O no hydrogen 2.967 N/A ALA 193.A N ALA 190.A O no hydrogen 3.050 N/A GLY 194.A N ALA 191.A O no hydrogen 2.883 N/A ALA 195.A N ALA 190.A O no hydrogen 2.930 N/A THR 196.A N VAL 171.A O no hydrogen 2.782 N/A THR 196.A OG1 GLY 169.A O no hydrogen 2.665 N/A THR 196.A OG1 VAL 171.A O no hydrogen 3.543 N/A VAL 197.A N VAL 171.A O no hydrogen 3.186 N/A LEU 198.A N ALA 228.A O no hydrogen 2.828 N/A ALA 199.A N HIS 173.A O no hydrogen 2.885 N/A ASN 200.A N VAL 230.A O no hydrogen 2.980 N/A ASN 200.A ND2 ALA 177.A O no hydrogen 3.414 N/A ASN 200.A ND2 TYR 229.A OH no hydrogen 3.082 N/A LEU 201.A N GLU 175.A O no hydrogen 3.296 N/A SER 202.A N ALA 232.A O no hydrogen 2.978 N/A SER 202.A OG ASN 200.A OD1 no hydrogen 3.035 N/A GLY 203.A N GLU 53.A OE1 no hydrogen 2.741 N/A ILE 206.A N ALA 244.A O no hydrogen 2.836 N/A THR 207.A OG1 ILE 208.A O no hydrogen 3.341 N/A ARG 210.A N THR 207.A O no hydrogen 3.122 N/A ARG 210.A NH1 GLU 130.A OE2 no hydrogen 2.594 N/A ARG 210.A NH1 PRO 205.A O no hydrogen 2.829 N/A ARG 210.A NH2 GLU 130.A OE2 no hydrogen 2.677 N/A ASP 213.A N GLY 209.A O no hydrogen 3.223 N/A ARG 214.A N ARG 210.A O no hydrogen 2.863 N/A ARG 214.A NE SER 204.A OG no hydrogen 2.911 N/A ARG 214.A NH1 ASP 246.A OD1 no hydrogen 2.976 N/A ARG 214.A NH1 ASP 246.A OD2 no hydrogen 3.170 N/A ARG 214.A NH1 GLN 248.A OE1 no hydrogen 2.862 N/A ARG 214.A NH2 SER 204.A O no hydrogen 2.912 N/A ARG 214.A NH2 SER 204.A OG no hydrogen 3.304 N/A ARG 214.A NH2 ASP 246.A OD1 no hydrogen 3.059 N/A ARG 215.A N ALA 211.A O no hydrogen 2.925 N/A ARG 215.A NH1 GLU 260.A OE1 no hydrogen 2.609 N/A ARG 215.A NH1 GLU 260.A OE2 no hydrogen 3.568 N/A ARG 215.A NH2 GLU 260.A OE2 no hydrogen 3.341 N/A LEU 216.A N GLU 212.A O no hydrogen 2.804 N/A LEU 217.A N ASP 213.A O no hydrogen 3.074 N/A ALA 218.A N ARG 214.A O no hydrogen 2.873 N/A ARG 219.A N ARG 215.A O no hydrogen 2.814 N/A ARG 219.A NE GLY 255.A O no hydrogen 2.649 N/A ARG 219.A NH2 GLY 255.A O no hydrogen 3.418 N/A SER 220.A N LEU 216.A O no hydrogen 3.080 N/A SER 220.A OG LEU 216.A O no hydrogen 2.924 N/A SER 220.A OG LEU 217.A O no hydrogen 3.567 N/A ALA 221.A N LEU 217.A O no hydrogen 3.179 N/A SER 222.A N ALA 218.A O no hydrogen 3.006 N/A SER 222.A OG ARG 219.A O no hydrogen 2.728 N/A ALA 223.A N ARG 219.A O no hydrogen 3.063 N/A ARG 224.A N SER 220.A O no hydrogen 2.906 N/A CYS 225.A N ALA 221.A O no hydrogen 3.120 N/A LEU 226.A N ALA 223.A O no hydrogen 3.222 N/A ALA 227.A N SER 222.A O no hydrogen 2.921 N/A ALA 228.A N THR 196.A O no hydrogen 2.916 N/A TYR 229.A N TRP 252.A O no hydrogen 2.817 N/A TYR 229.A OH GLU 175.A OE2 no hydrogen 2.535 N/A VAL 230.A N LEU 198.A O no hydrogen 2.770 N/A TYR 231.A N MET 250.A O no hydrogen 2.913 N/A ALA 232.A N ASN 200.A O no hydrogen 3.396 N/A ALA 233.A N GLN 248.A O no hydrogen 2.967 N/A ALA 234.A N GLY 203.A O no hydrogen 3.297 N/A GLU 238.A N GLY 235.A O no hydrogen 3.450 N/A SER 239.A N SER 60.A OG no hydrogen 2.821 N/A THR 241.A N SER 239.A OG no hydrogen 3.081 N/A THR 241.A OG1 SER 239.A OG no hydrogen 2.498 N/A TRP 245.A NE1 SER 239.A O no hydrogen 2.863 N/A GLY 247.A N ALA 234.A O no hydrogen 3.023 N/A GLN 248.A N ASP 246.A OD1 no hydrogen 3.099 N/A THR 249.A N SER 261.A OG no hydrogen 3.132 N/A THR 249.A OG1 ALA 17.A O no hydrogen 3.560 N/A THR 249.A OG1 SER 261.A OG no hydrogen 2.587 N/A THR 249.A OG1 SER 271.A OG no hydrogen 2.814 N/A MET 250.A N TYR 231.A O no hydrogen 3.002 N/A ILE 251.A N ALA 259.A O no hydrogen 2.999 N/A TRP 252.A N TYR 229.A O no hydrogen 2.913 N/A GLU 253.A N ALA 256.A O no hydrogen 2.728 N/A ASN 254.A N ALA 227.A O no hydrogen 2.990 N/A GLY 255.A N SER 222.A OG no hydrogen 2.928 N/A ALA 256.A N GLU 253.A O no hydrogen 2.958 N/A LEU 258.A N ILE 251.A O no hydrogen 2.786 N/A SER 261.A N THR 249.A O no hydrogen 3.052 N/A SER 261.A OG THR 249.A OG1 no hydrogen 2.587 N/A ARG 263.A NE ASP 246.A OD2 no hydrogen 2.869 N/A ARG 263.A NH2 ASP 246.A OD2 no hydrogen 3.236 N/A PHE 264.A N ASP 246.A O no hydrogen 2.758 N/A LYS 266.A NZ GLU 236.A OE2 no hydrogen 2.789 N/A GLY 267.A N GLU 236.A OE1 no hydrogen 3.070 N/A ARG 269.A N THR 19.A O no hydrogen 3.379 N/A ARG 269.A NE GLU 262.A OE1 no hydrogen 2.991 N/A ARG 269.A NH1 LYS 266.A O no hydrogen 3.292 N/A ARG 269.A NH1 VAL 268.A O no hydrogen 3.007 N/A ARG 269.A NH2 GLU 262.A OE1 no hydrogen 2.826 N/A ARG 269.A NH2 LYS 266.A O no hydrogen 3.340 N/A ARG 270.A NH2 ASP 44.A OD2 no hydrogen 2.445 N/A SER 271.A N ALA 17.A O no hydrogen 2.914 N/A SER 271.A OG THR 249.A OG1 no hydrogen 2.814 N/A ALA 273.A N VAL 15.A O no hydrogen 3.153 N/A ASP 274.A N LEU 321.A O no hydrogen 2.821 N/A VAL 275.A N VAL 13.A O no hydrogen 2.935 N/A ASP 276.A N GLU 253.A OE1 no hydrogen 2.736 N/A THR 277.A N GLY 11.A O no hydrogen 2.960 N/A THR 277.A OG1 GLY 11.A O no hydrogen 2.677 N/A LEU 279.A N ASP 276.A O no hydrogen 2.929 N/A LEU 279.A N ASP 276.A OD1 no hydrogen 3.090 N/A LEU 280.A N ASP 276.A O no hydrogen 3.275 N/A ARG 281.A N THR 277.A O no hydrogen 2.803 N/A SER 282.A N GLU 278.A O no hydrogen 2.843 N/A SER 282.A OG GLU 278.A O no hydrogen 3.003 N/A SER 282.A OG TYR 559.A O no hydrogen 2.628 N/A GLU 283.A N LEU 279.A O no hydrogen 2.970 N/A ARG 284.A N LEU 280.A O no hydrogen 3.103 N/A ARG 284.A NE LEU 226.A O no hydrogen 3.065 N/A ARG 284.A NH1 ALA 195.A O no hydrogen 3.086 N/A ARG 284.A NH2 ALA 195.A O no hydrogen 2.844 N/A ARG 284.A NH2 CYS 225.A O no hydrogen 2.786 N/A ARG 284.A NH2 LEU 226.A O no hydrogen 3.090 N/A LEU 285.A N ARG 281.A O no hydrogen 2.981 N/A ARG 286.A N GLU 283.A O no hydrogen 3.371 N/A ARG 286.A NH1 SER 282.A O no hydrogen 3.165 N/A MET 287.A N GLU 283.A O no hydrogen 3.128 N/A PHE 290.A N MET 287.A O no hydrogen 3.037 N/A ASP 292.A N GLY 288.A O no hydrogen 2.976 N/A ASN 293.A N THR 289.A O no hydrogen 3.064 N/A ARG 294.A N PHE 290.A O no hydrogen 3.146 N/A ARG 294.A NE ASP 291.A OD1 no hydrogen 2.786 N/A ARG 294.A NH2 ASP 291.A OD1 no hydrogen 3.277 N/A ARG 294.A NH2 ASP 291.A OD2 no hydrogen 3.563 N/A ARG 295.A N ASP 291.A O no hydrogen 2.864 N/A HIS 296.A N ASP 292.A O no hydrogen 2.926 N/A HIS 297.A N ASN 293.A O no hydrogen 3.094 N/A ARG 298.A N ARG 295.A O no hydrogen 3.181 N/A ARG 298.A NE GLU 302.A OE1 no hydrogen 3.315 N/A THR 301.A N HIS 297.A O no hydrogen 2.892 N/A THR 301.A OG1 ARG 294.A O no hydrogen 3.536 N/A THR 301.A OG1 HIS 297.A O no hydrogen 2.856 N/A THR 301.A OG1 ARG 298.A O no hydrogen 3.233 N/A GLU 302.A N ARG 298.A O no hydrogen 2.805 N/A SER 303.A OG LEU 300.A O no hydrogen 3.244 N/A ARG 305.A N ASP 159.A O no hydrogen 3.000 N/A ARG 305.A NE ASP 159.A OD2 no hydrogen 3.028 N/A ARG 305.A NH1 GLY 145.A O no hydrogen 3.008 N/A ARG 305.A NH2 PHE 156.A O no hydrogen 2.777 N/A ARG 305.A NH2 ASP 159.A OD1 no hydrogen 2.825 N/A ILE 307.A N LEU 161.A O no hydrogen 2.622 N/A PHE 309.A N ALA 163.A O no hydrogen 3.076 N/A LEU 311.A N ASP 166.A OD1 no hydrogen 3.022 N/A ASP 312.A N ASP 166.A OD2 no hydrogen 2.669 N/A GLY 319.A N ASP 317.A OD1 no hydrogen 2.813 N/A LEU 321.A N ASP 274.A OD2 no hydrogen 2.819 N/A ARG 322.A N LEU 320.A O no hydrogen 2.849 N/A ARG 322.A NH1 GLU 253.A OE1 no hydrogen 3.058 N/A ARG 322.A NH1 GLU 253.A OE2 no hydrogen 3.501 N/A ARG 322.A NH1 ASP 274.A O no hydrogen 2.817 N/A ARG 322.A NH2 GLU 253.A OE2 no hydrogen 2.678 N/A ARG 326.A NH1 ARG 579.A O no hydrogen 3.015 N/A ARG 326.A NH2 ARG 579.A O no hydrogen 2.949 N/A VAL 330.A N PHE 327.A O no hydrogen 2.765 N/A ALA 332.A N GLU 325.A OE1 no hydrogen 3.287 N/A ALA 332.A N GLU 325.A OE2 no hydrogen 3.272 N/A ARG 336.A N ASP 333.A OD2 no hydrogen 2.888 N/A LEU 337.A N ASP 333.A O no hydrogen 2.914 N/A GLN 338.A N PRO 334.A O no hydrogen 2.983 N/A GLN 339.A N GLN 335.A O no hydrogen 3.255 N/A GLN 339.A NE2 GLU 343.A OE2 no hydrogen 3.146 N/A ASP 340.A N ARG 336.A O no hydrogen 2.905 N/A CYS 341.A N LEU 337.A O no hydrogen 2.980 N/A CYS 341.A SG LEU 337.A O no hydrogen 3.417 N/A CYS 341.A SG HIS 510.A O no hydrogen 3.637 N/A TYR 342.A N GLN 338.A O no hydrogen 3.081 N/A GLU 343.A N GLN 339.A O no hydrogen 2.977 N/A ALA 344.A N ASP 340.A O no hydrogen 2.774 N/A TYR 345.A N CYS 341.A O no hydrogen 2.833 N/A ASN 346.A N TYR 342.A O no hydrogen 3.199 N/A ASN 346.A ND2 TYR 342.A O no hydrogen 2.867 N/A ILE 347.A N GLU 343.A O no hydrogen 2.919 N/A ILE 347.A N ALA 344.A O no hydrogen 3.081 N/A GLN 348.A N ALA 344.A O no hydrogen 3.093 N/A GLN 348.A NE2 VAL 499.A O no hydrogen 2.747 N/A GLN 348.A NE2 ASN 500.A OD1 no hydrogen 3.004 N/A VAL 349.A N TYR 345.A O no hydrogen 2.964 N/A SER 350.A N ASN 346.A O no hydrogen 3.163 N/A SER 350.A OG ASN 346.A O no hydrogen 2.667 N/A SER 350.A OG ILE 347.A O no hydrogen 3.393 N/A GLY 351.A N ILE 347.A O no hydrogen 2.962 N/A LEU 352.A N GLN 348.A O no hydrogen 3.183 N/A GLU 353.A N VAL 349.A O no hydrogen 2.765 N/A GLN 354.A N SER 350.A O no hydrogen 3.232 N/A ARG 355.A N GLY 351.A O no hydrogen 3.392 N/A ARG 355.A NH1 ASN 623.A OD1 no hydrogen 3.301 N/A ARG 355.A NH2 ASN 623.A OD1 no hydrogen 2.660 N/A LEU 356.A N LEU 352.A O no hydrogen 2.927 N/A ARG 357.A N GLU 353.A O no hydrogen 2.842 N/A ARG 357.A NH1 GLU 388.A OE2 no hydrogen 2.719 N/A ARG 357.A NH2 GLN 354.A OE1 no hydrogen 2.896 N/A ALA 358.A N GLN 354.A O no hydrogen 2.975 N/A LEU 359.A N ARG 355.A O no hydrogen 3.056 N/A ASP 360.A N ARG 357.A O no hydrogen 3.051 N/A TYR 361.A N LEU 356.A O no hydrogen 2.859 N/A TYR 361.A OH GLU 388.A OE1 no hydrogen 2.860 N/A LYS 363.A N GLY 469.A O no hydrogen 3.161 N/A LYS 363.A NZ ARG 468.A O no hydrogen 3.180 N/A VAL 364.A N ASP 394.A O no hydrogen 2.890 N/A VAL 365.A N ILE 471.A O no hydrogen 2.910 N/A ILE 366.A N LEU 396.A O no hydrogen 3.185 N/A VAL 368.A N PHE 398.A O no hydrogen 2.897 N/A SER 369.A N SER 374.A OG no hydrogen 3.277 N/A SER 369.A OG SER 374.A OG no hydrogen 3.190 N/A GLY 371.A N SER 369.A OG no hydrogen 3.424 N/A SER 374.A OG SER 369.A OG no hydrogen 3.190 N/A THR 375.A N GLY 371.A O no hydrogen 3.110 N/A THR 375.A OG1 GLY 371.A O no hydrogen 2.609 N/A HIS 376.A N LEU 372.A O no hydrogen 2.945 N/A HIS 376.A NE2 GLN 348.A OE1 no hydrogen 2.655 N/A ALA 377.A N ASP 373.A O no hydrogen 2.934 N/A LEU 378.A N SER 374.A O no hydrogen 2.954 N/A ILE 379.A N THR 375.A O no hydrogen 3.146 N/A VAL 380.A N HIS 376.A O no hydrogen 2.925 N/A ALA 381.A N ALA 377.A O no hydrogen 2.835 N/A THR 382.A N LEU 378.A O no hydrogen 3.066 N/A THR 382.A OG1 LEU 378.A O no hydrogen 2.737 N/A HIS 383.A N ILE 379.A O no hydrogen 3.017 N/A ALA 384.A N VAL 380.A O no hydrogen 2.994 N/A MET 385.A N ALA 381.A O no hydrogen 2.900 N/A ASP 386.A N THR 382.A O no hydrogen 2.798 N/A ARG 387.A N HIS 383.A O no hydrogen 2.811 N/A GLU 388.A N ALA 384.A O no hydrogen 2.960 N/A GLY 389.A N ASP 386.A O no hydrogen 2.770 N/A ARG 390.A N MET 385.A O no hydrogen 2.803 N/A ARG 392.A NE ASP 386.A OD1 no hydrogen 3.235 N/A ARG 392.A NE ASP 386.A OD2 no hydrogen 3.320 N/A ARG 392.A NH1 LEU 414.A O no hydrogen 2.751 N/A ARG 392.A NH2 ASP 386.A OD2 no hydrogen 2.859 N/A ASP 394.A N PRO 391.A O no hydrogen 3.054 N/A ILE 395.A N ARG 392.A O no hydrogen 3.121 N/A LEU 396.A N VAL 364.A O no hydrogen 2.719 N/A ALA 397.A N THR 417.A O no hydrogen 2.857 N/A PHE 398.A N ILE 366.A O no hydrogen 2.935 N/A ALA 399.A N SER 419.A O no hydrogen 2.948 N/A PHE 403.A N GLN 453.A OE1 no hydrogen 2.721 N/A ALA 407.A N LYS 404.A O no hydrogen 3.346 N/A LYS 409.A N ASN 405.A O no hydrogen 3.260 N/A LEU 410.A N ASN 406.A O no hydrogen 2.921 N/A ALA 411.A N ALA 407.A O no hydrogen 3.142 N/A ARG 412.A N ILE 408.A O no hydrogen 2.844 N/A ALA 413.A N LYS 409.A O no hydrogen 2.920 N/A LEU 414.A N LEU 410.A O no hydrogen 2.925 N/A GLY 415.A N ALA 411.A O no hydrogen 2.875 N/A VAL 416.A N ALA 411.A O no hydrogen 3.339 N/A THR 417.A N ILE 395.A O no hydrogen 2.935 N/A THR 417.A OG1 SER 393.A O no hydrogen 2.856 N/A ILE 421.A N ALA 399.A O no hydrogen 2.804 N/A ILE 423.A N PRO 401.A O no hydrogen 3.167 N/A GLY 424.A N ASP 422.A OD1 no hydrogen 2.821 N/A THR 426.A OG1 TYR 460.A OH no hydrogen 2.613 N/A ALA 427.A N ILE 423.A O no hydrogen 2.794 N/A ARG 428.A N GLY 424.A O no hydrogen 2.817 N/A LEU 429.A N ASP 425.A O no hydrogen 2.960 N/A MET 430.A N THR 426.A O no hydrogen 3.052 N/A LEU 431.A N ALA 427.A O no hydrogen 2.845 N/A HIS 432.A N ARG 428.A O no hydrogen 2.914 N/A THR 433.A N LEU 429.A O no hydrogen 2.914 N/A THR 433.A OG1 LEU 429.A O no hydrogen 2.614 N/A ILE 434.A N MET 430.A O no hydrogen 3.173 N/A GLY 435.A N HIS 432.A O no hydrogen 3.017 N/A HIS 436.A N LEU 431.A O no hydrogen 2.821 N/A HIS 436.A NE2 ASP 446.A OD2 no hydrogen 2.967 N/A TYR 438.A N HIS 436.A ND1 no hydrogen 3.095 N/A SER 439.A N HIS 436.A O no hydrogen 3.008 N/A SER 439.A OG HIS 436.A O no hydrogen 2.782 N/A VAL 440.A N PRO 437.A O no hydrogen 3.228 N/A GLY 441.A N TYR 438.A O no hydrogen 2.905 N/A THR 448.A OG1 ASP 446.A OD2 no hydrogen 3.433 N/A ASN 451.A N VAL 447.A O no hydrogen 2.944 N/A VAL 452.A N THR 448.A O no hydrogen 2.736 N/A GLN 453.A NE2 PHE 449.A O no hydrogen 3.690 N/A ALA 454.A N GLU 450.A O no hydrogen 3.094 N/A GLY 455.A N ASN 451.A O no hydrogen 2.755 N/A LEU 456.A N VAL 452.A O no hydrogen 2.840 N/A ARG 457.A N GLN 453.A O no hydrogen 3.058 N/A ARG 457.A NE LEU 400.A O no hydrogen 2.753 N/A ARG 457.A NH2 LEU 400.A O no hydrogen 3.061 N/A THR 458.A N ALA 454.A O no hydrogen 3.413 N/A ASP 459.A N GLY 455.A O no hydrogen 2.876 N/A TYR 460.A N LEU 456.A O no hydrogen 2.867 N/A TYR 460.A OH THR 426.A OG1 no hydrogen 2.613 N/A LEU 461.A N ARG 457.A O no hydrogen 2.976 N/A PHE 462.A N THR 458.A O no hydrogen 2.920 N/A ARG 463.A N ASP 459.A O no hydrogen 3.086 N/A ARG 463.A NH1 ASN 466.A OD1 no hydrogen 2.235 N/A ILE 464.A N TYR 460.A O no hydrogen 2.834 N/A ALA 465.A N LEU 461.A O no hydrogen 2.868 N/A ASN 466.A N PHE 462.A O no hydrogen 2.970 N/A GLN 467.A N ARG 463.A O no hydrogen 2.874 N/A ARG 468.A N ILE 464.A O no hydrogen 2.632 N/A ARG 468.A NE GLN 467.A OE1 no hydrogen 3.073 N/A GLY 470.A N ALA 465.A O no hydrogen 2.762 N/A ILE 471.A N LYS 363.A O no hydrogen 2.999 N/A VAL 472.A N HIS 496.A ND1 no hydrogen 2.829 N/A LEU 473.A N VAL 365.A O no hydrogen 2.862 N/A GLY 474.A N TYR 497.A O no hydrogen 2.788 N/A ASP 477.A N GLU 480.A OE1 no hydrogen 3.275 N/A LEU 478.A N VAL 503.A O no hydrogen 2.911 N/A SER 479.A OG ASP 550.A OD1 no hydrogen 2.397 N/A SER 479.A OG ASP 550.A OD2 no hydrogen 2.960 N/A GLU 480.A N ASP 477.A OD1 no hydrogen 2.684 N/A LEU 481.A N ASP 477.A O no hydrogen 3.026 N/A ALA 482.A N LEU 478.A O no hydrogen 2.769 N/A LEU 483.A N SER 479.A O no hydrogen 3.141 N/A TRP 485.A N GLU 480.A O no hydrogen 3.136 N/A THR 487.A N ASP 492.A OD1 no hydrogen 2.927 N/A THR 487.A OG1 ASN 451.A OD1 no hydrogen 3.371 N/A GLY 489.A N GLN 493.A OE1 no hydrogen 3.046 N/A GLN 493.A N THR 487.A O no hydrogen 3.398 N/A GLN 493.A NE2 LYS 617.A O no hydrogen 2.961 N/A GLN 493.A NE2 ALA 620.A O no hydrogen 2.752 N/A MET 494.A N GLY 491.A O no hydrogen 3.110 N/A HIS 496.A N VAL 472.A O no hydrogen 2.805 N/A ASN 498.A N ASN 623.A O no hydrogen 2.856 N/A ASN 498.A ND2 GLY 476.A O no hydrogen 3.127 N/A ASN 500.A N ASN 498.A OD1 no hydrogen 2.933 N/A ASN 500.A ND2 ASP 373.A O no hydrogen 3.026 N/A ASN 500.A ND2 THR 475.A O no hydrogen 2.888 N/A ALA 501.A N ASN 498.A O no hydrogen 3.401 N/A VAL 503.A N ASN 500.A O no hydrogen 3.040 N/A LYS 505.A N SER 479.A OG no hydrogen 2.688 N/A LYS 505.A NZ ASP 373.A OD2 no hydrogen 3.524 N/A LYS 505.A NZ ASP 477.A OD2 no hydrogen 2.680 N/A LYS 505.A NZ GLU 480.A OE2 no hydrogen 3.009 N/A THR 506.A N ASP 550.A OD2 no hydrogen 2.994 N/A THR 506.A OG1 ASP 550.A OD2 no hydrogen 2.750 N/A LEU 507.A N PRO 504.A O no hydrogen 3.066 N/A ILE 508.A N PRO 504.A O no hydrogen 3.323 N/A ILE 508.A N LYS 505.A O no hydrogen 3.130 N/A LEU 511.A N LEU 507.A O no hydrogen 2.914 N/A ILE 512.A N ILE 508.A O no hydrogen 3.022 N/A ARG 513.A N GLN 509.A O no hydrogen 3.028 N/A TRP 514.A N HIS 510.A O no hydrogen 2.942 N/A TRP 514.A NE1 GLN 338.A OE1 no hydrogen 3.109 N/A VAL 515.A N LEU 511.A O no hydrogen 3.053 N/A ILE 516.A N ILE 512.A O no hydrogen 3.142 N/A SER 517.A N ARG 513.A O no hydrogen 3.038 N/A ALA 518.A N TRP 514.A O no hydrogen 2.845 N/A GLY 519.A N VAL 515.A O no hydrogen 3.115 N/A GLY 522.A N GLY 519.A O no hydrogen 3.405 N/A GLY 526.A N GLY 522.A O no hydrogen 3.064 N/A GLU 527.A N GLU 523.A O no hydrogen 2.956 N/A GLU 527.A N LYS 524.A O no hydrogen 3.123 N/A VAL 528.A N LYS 524.A O no hydrogen 3.318 N/A LEU 529.A N VAL 525.A O no hydrogen 2.927 N/A GLN 530.A N GLY 526.A O no hydrogen 2.826 N/A GLN 530.A NE2 GLN 530.A O no hydrogen 3.328 N/A GLN 530.A NE2 ASP 534.A OD1 no hydrogen 2.917 N/A GLN 530.A NE2 ASP 534.A OD2 no hydrogen 3.489 N/A SER 531.A N GLU 527.A O no hydrogen 2.854 N/A SER 531.A OG ASN 406.A OD1 no hydrogen 2.813 N/A VAL 532.A N VAL 528.A O no hydrogen 2.808 N/A LEU 533.A N LEU 529.A O no hydrogen 3.039 N/A ASP 534.A N GLN 530.A O no hydrogen 2.998 N/A THR 535.A N SER 531.A O no hydrogen 2.807 N/A THR 535.A OG1 SER 531.A O no hydrogen 3.013 N/A GLU 536.A N VAL 532.A O no hydrogen 2.885 N/A LYS 542.A N SER 539.A O no hydrogen 2.860 N/A VAL 543.A N SER 539.A O no hydrogen 2.939 N/A PHE 546.A N GLU 540.A OE1 no hydrogen 3.110 N/A GLN 549.A N PRO 545.A O no hydrogen 3.117 N/A GLN 549.A NE2 VAL 543.A O no hydrogen 2.876 N/A GLN 549.A NE2 TRP 602.A O no hydrogen 2.901 N/A ASP 550.A N PHE 546.A O no hydrogen 2.706 N/A PHE 551.A N ALA 547.A O no hydrogen 3.173 N/A SER 552.A N LEU 548.A O no hydrogen 3.018 N/A SER 552.A OG LEU 548.A O no hydrogen 3.401 N/A LEU 553.A N GLN 549.A O no hydrogen 2.927 N/A PHE 554.A N ASP 550.A O no hydrogen 3.199 N/A GLN 555.A N PHE 551.A O no hydrogen 3.318 N/A GLN 555.A NE2 PHE 551.A O no hydrogen 3.573 N/A VAL 556.A N SER 552.A O no hydrogen 2.979 N/A LEU 557.A N LEU 553.A O no hydrogen 2.815 N/A ARG 558.A N PHE 554.A O no hydrogen 3.079 N/A ARG 558.A NE GLU 283.A OE2 no hydrogen 2.986 N/A ARG 558.A NH1 HIS 629.A O no hydrogen 2.703 N/A ARG 558.A NH2 GLU 283.A OE1 no hydrogen 3.149 N/A ARG 558.A NH2 GLU 283.A OE2 no hydrogen 3.180 N/A TYR 559.A N GLN 555.A O no hydrogen 3.137 N/A GLY 560.A N VAL 556.A O no hydrogen 3.029 N/A ARG 562.A NH1 GLU 278.A OE1 no hydrogen 3.459 N/A ARG 562.A NH1 GLU 278.A OE2 no hydrogen 2.743 N/A ARG 562.A NH2 GLU 278.A OE2 no hydrogen 3.093 N/A SER 564.A N GLN 653.A OE1 no hydrogen 2.728 N/A LYS 565.A NZ HIS 10.A O no hydrogen 2.913 N/A LYS 565.A NZ ASP 276.A OD1 no hydrogen 2.911 N/A LYS 565.A NZ ASP 276.A OD2 no hydrogen 3.252 N/A LYS 565.A NZ GLU 278.A OE1 no hydrogen 2.802 N/A ILE 566.A N ARG 562.A O no hydrogen 3.042 N/A ALA 567.A N PRO 563.A O no hydrogen 2.894 N/A PHE 568.A N SER 564.A O no hydrogen 2.974 N/A LEU 569.A N LYS 565.A O no hydrogen 3.071 N/A ALA 570.A N ILE 566.A O no hydrogen 2.878 N/A TRP 571.A N ALA 567.A O no hydrogen 2.928 N/A HIS 572.A N PHE 568.A O no hydrogen 3.181 N/A ALA 573.A N LEU 569.A O no hydrogen 3.015 N/A TRP 574.A N ALA 570.A O no hydrogen 2.727 N/A TRP 574.A N TRP 571.A O no hydrogen 3.195 N/A ASN 575.A N TRP 571.A O no hydrogen 2.963 N/A ASN 575.A ND2 TRP 571.A O no hydrogen 2.971 N/A GLU 578.A N ASP 576.A OD1 no hydrogen 2.971 N/A ARG 579.A N ASP 576.A O no hydrogen 3.160 N/A TRP 582.A NE1 ALA 577.A O no hydrogen 2.959 N/A GLU 590.A N PRO 587.A O no hydrogen 2.747 N/A ARG 591.A NH1 PHE 586.A O no hydrogen 2.698 N/A TYR 594.A N TRP 574.A O no hydrogen 3.455 N/A SER 595.A N GLU 598.A OE2 no hydrogen 3.008 N/A GLU 598.A N SER 595.A OG no hydrogen 3.273 N/A ILE 599.A N SER 595.A O no hydrogen 2.951 N/A ARG 600.A N LEU 596.A O no hydrogen 2.747 N/A ARG 600.A NE VAL 658.A O no hydrogen 3.123 N/A ARG 600.A NH2 VAL 658.A O no hydrogen 3.486 N/A HIS 601.A N ALA 597.A O no hydrogen 3.072 N/A TRP 602.A N GLU 598.A O no hydrogen 2.946 N/A LEU 603.A N ILE 599.A O no hydrogen 3.100 N/A LEU 603.A N ARG 600.A O no hydrogen 3.183 N/A GLN 604.A N ARG 600.A O no hydrogen 2.990 N/A ILE 605.A N HIS 601.A O no hydrogen 3.237 N/A PHE 606.A N TRP 602.A O no hydrogen 2.801 N/A VAL 607.A N LEU 603.A O no hydrogen 2.903 N/A GLN 608.A N GLN 604.A O no hydrogen 3.270 N/A ARG 609.A N ILE 605.A O no hydrogen 3.013 N/A ARG 609.A NE LEU 483.A O no hydrogen 2.639 N/A ARG 609.A NH2 LEU 483.A O no hydrogen 2.991 N/A ARG 609.A NH2 GLY 484.A O no hydrogen 3.311 N/A PHE 610.A N PHE 606.A O no hydrogen 2.773 N/A TYR 611.A N VAL 607.A O no hydrogen 2.952 N/A SER 612.A OG MET 645.A O no hydrogen 2.881 N/A PHE 613.A N GLN 608.A O no hydrogen 3.232 N/A SER 614.A N ARG 609.A O no hydrogen 3.018 N/A SER 614.A OG ALA 482.A O no hydrogen 3.294 N/A SER 614.A OG ARG 609.A O no hydrogen 2.479 N/A SER 614.A OG PHE 610.A O no hydrogen 3.531 N/A LYS 617.A N SER 614.A O no hydrogen 3.109 N/A LYS 617.A NZ GLY 484.A O no hydrogen 2.978 N/A LYS 617.A NZ SER 486.A O no hydrogen 3.088 N/A ARG 618.A NE LEU 481.A O no hydrogen 3.121 N/A ARG 618.A NH2 ALA 482.A O no hydrogen 3.108 N/A ARG 618.A NH2 PHE 610.A O no hydrogen 2.990 N/A SER 619.A N GLN 615.A O no hydrogen 2.938 N/A LYS 626.A NZ ASP 638.A OD1 no hydrogen 3.000 N/A GLY 630.A N SER 628.A OG no hydrogen 2.710 N/A GLY 631.A N SER 628.A O no hydrogen 3.036 N/A ALA 632.A N ASP 638.A OD2 no hydrogen 2.955 N/A ARG 636.A N SER 634.A OG no hydrogen 3.145 N/A ARG 636.A NH1 LEU 621.A O no hydrogen 2.827 N/A ARG 636.A NH2 PRO 622.A O no hydrogen 3.395 N/A GLY 637.A N SER 634.A O no hydrogen 2.771 N/A TRP 639.A N SER 634.A O no hydrogen 3.401 N/A ARG 648.A N SER 646.A OG no hydrogen 2.742 N/A LEU 651.A N ALA 647.A O no hydrogen 3.262 N/A ASP 652.A N ARG 648.A O no hydrogen 2.868 N/A GLN 653.A N ILE 649.A O no hydrogen 3.007 N/A GLN 653.A NE2 SER 564.A OG no hydrogen 3.002 N/A ILE 654.A N TRP 650.A O no hydrogen 3.132 N/A ASP 655.A N LEU 651.A O no hydrogen 3.105 N/A ARG 656.A N ASP 652.A O no hydrogen 3.038 N/A ARG 656.A NE ASP 652.A OD2 no hydrogen 3.010 N/A GLU 657.A N GLN 653.A O no hydrogen 2.895 N/A VAL 658.A N ILE 654.A O no hydrogen 3.102 N/A