Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sdt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N TRP 1.A O no hydrogen 3.511 N/A VAL 6.A N GLY 2.A O no hydrogen 3.200 N/A HIS 7.A N TYR 3.A O no hydrogen 2.938 N/A HIS 7.A NE2 LYS 475.A O no hydrogen 3.117 N/A SER 8.A N ASP 4.A O no hydrogen 3.204 N/A SER 8.A N LEU 5.A O no hydrogen 3.128 N/A SER 8.A OG LEU 5.A O no hydrogen 2.545 N/A LEU 9.A N VAL 6.A O no hydrogen 3.159 N/A TYR 13.A N SER 11.A OG no hydrogen 3.265 N/A ASP 15.A N PRO 12.A O no hydrogen 3.210 N/A SER 17.A N ASP 15.A OD2 no hydrogen 3.129 N/A SER 17.A OG ASP 15.A OD2 no hydrogen 3.085 N/A TYR 18.A N ASP 15.A O no hydrogen 3.074 N/A ARG 19.A NH1 ASP 462.A OD1 no hydrogen 2.909 N/A ARG 19.A NH2 ASP 462.A OD1 no hydrogen 3.035 N/A GLU 20.A N SER 16.A O no hydrogen 2.930 N/A ARG 21.A N SER 17.A O no hydrogen 2.976 N/A ARG 21.A NH2 GLU 457.A OE2 no hydrogen 2.823 N/A ALA 22.A N TYR 18.A O no hydrogen 2.914 N/A GLU 23.A N ARG 19.A O no hydrogen 2.935 N/A VAL 24.A N GLU 20.A O no hydrogen 3.161 N/A LEU 25.A N ARG 21.A O no hydrogen 3.074 N/A VAL 26.A N ALA 22.A O no hydrogen 2.921 N/A SER 27.A N GLU 23.A O no hydrogen 3.051 N/A SER 27.A OG.A GLU 23.A O no hydrogen 3.567 N/A SER 27.A OG.A VAL 24.A O no hydrogen 2.695 N/A SER 27.A OG.B GLU 23.A O no hydrogen 3.330 N/A GLU 28.A N VAL 24.A O no hydrogen 2.886 N/A ILE 29.A N LEU 25.A O no hydrogen 2.914 N/A LYS 30.A N VAL 26.A O no hydrogen 2.946 N/A LYS 30.A NZ.B HIS 282.A O no hydrogen 3.351 N/A LYS 30.A NZ.B GLU 286.A OE1 no hydrogen 2.656 N/A LYS 30.A NZ.B GLU 286.A OE2 no hydrogen 2.685 N/A ALA 31.A N SER 27.A O no hydrogen 3.012 N/A MET 32.A N GLU 28.A O no hydrogen 2.889 N/A LEU 33.A N ILE 29.A O no hydrogen 2.890 N/A ASN 34.A N ALA 31.A O no hydrogen 3.360 N/A ILE 37.A N LEU 33.A O no hydrogen 3.068 N/A ILE 37.A N ASN 34.A O no hydrogen 3.275 N/A THR 38.A N ASN 34.A O no hydrogen 2.724 N/A THR 38.A OG1 ASN 34.A OD1 no hydrogen 3.415 N/A THR 38.A OG1 GLU 289.A OE1 no hydrogen 3.125 N/A THR 38.A OG1 GLU 289.A OE2 no hydrogen 2.723 N/A GLY 39.A N ASN 34.A O no hydrogen 2.984 N/A SER 43.A N GLU 266.A OE1 no hydrogen 2.754 N/A MET 44.A N GLU 266.A OE2 no hydrogen 2.887 N/A THR 46.A N LYS 446.A O no hydrogen 3.393 N/A SER 48.A N VAL 256.A O no hydrogen 2.805 N/A SER 48.A OG ASP 51.A OD2 no hydrogen 2.616 N/A TYR 50.A OH GLU 201.A OE2 no hydrogen 2.614 N/A ASP 51.A N SER 48.A OG no hydrogen 3.050 N/A THR 52.A N SER 48.A O no hydrogen 2.829 N/A THR 52.A OG1 SER 48.A O no hydrogen 2.862 N/A THR 52.A OG1 VAL 256.A O no hydrogen 3.277 N/A ALA 53.A N ALA 49.A O no hydrogen 2.969 N/A TRP 54.A N TYR 50.A O no hydrogen 3.383 N/A VAL 55.A N ASP 51.A O no hydrogen 2.996 N/A ALA 56.A N THR 52.A O no hydrogen 2.866 N/A ARG 57.A N TRP 54.A O no hydrogen 3.093 N/A ARG 57.A NH1 GLU 155.A OE1 no hydrogen 3.391 N/A ARG 57.A NH1 GLU 155.A OE2 no hydrogen 2.928 N/A ARG 57.A NH2 GLU 155.A OE1 no hydrogen 2.868 N/A VAL 58.A N VAL 55.A O no hydrogen 3.060 N/A ALA 60.A N ARG 66.A O no hydrogen 2.723 N/A ILE 61.A N GLN 68.A OE1 no hydrogen 2.966 N/A GLY 63.A N ALA 60.A O no hydrogen 2.977 N/A SER 64.A N ASP 62.A OD1 no hydrogen 2.761 N/A SER 64.A OG ASP 62.A OD1 no hydrogen 2.492 N/A SER 64.A OG ASP 62.A OD2 no hydrogen 3.381 N/A ARG 66.A N SER 64.A O no hydrogen 2.984 N/A GLN 68.A N VAL 58.A O no hydrogen 2.788 N/A GLN 71.A N GLN 71.A OE1 no hydrogen 2.835 N/A GLN 71.A NE2 GLY 253.A O no hydrogen 3.502 N/A THR 72.A N PHE 69.A O no hydrogen 3.032 N/A THR 72.A OG1 PHE 69.A O no hydrogen 2.701 N/A ASP 74.A N PRO 70.A O no hydrogen 3.218 N/A TRP 75.A N GLN 71.A O no hydrogen 2.952 N/A ILE 76.A N THR 72.A O no hydrogen 3.033 N/A LEU 77.A N VAL 73.A O no hydrogen 2.936 N/A LYS 78.A N ASP 74.A O no hydrogen 3.122 N/A LYS 78.A N TRP 75.A O no hydrogen 3.148 N/A LYS 78.A NZ ASP 74.A OD1.B no hydrogen 2.829 N/A ASN 79.A N ILE 76.A O no hydrogen 3.317 N/A ASN 79.A ND2 TRP 75.A O no hydrogen 2.762 N/A GLN 80.A NE2 GLY 84.A O no hydrogen 2.787 N/A GLN 80.A NE2 GLN 117.A O no hydrogen 2.935 N/A LEU 81.A N SER 85.A O no hydrogen 2.735 N/A GLY 84.A N LEU 81.A O no hydrogen 2.987 N/A SER 85.A N ASP 83.A OD1 no hydrogen 2.976 N/A SER 85.A OG ASP 83.A OD1 no hydrogen 2.766 N/A TRP 86.A N THR 101.A OG1 no hydrogen 3.174 N/A TRP 86.A NE1 ILE 76.A O no hydrogen 2.810 N/A SER 90.A OG HIS 91.A ND1 no hydrogen 2.694 N/A HIS 91.A N ILE 88.A O no hydrogen 3.304 N/A HIS 91.A ND1 SER 90.A OG no hydrogen 2.694 N/A SER 95.A OG SER 140.A O no hydrogen 3.016 N/A ARG 97.A N LEU 93.A O no hydrogen 2.994 N/A ARG 97.A NH1 SER 85.A OG no hydrogen 2.880 N/A ARG 97.A NH2 ILE 88.A O no hydrogen 3.254 N/A ARG 97.A NH2 HIS 91.A O no hydrogen 3.268 N/A LEU 98.A N LEU 94.A O no hydrogen 2.824 N/A LEU 99.A N SER 95.A O no hydrogen 2.996 N/A ALA 100.A N ASP 96.A O no hydrogen 3.015 N/A THR 101.A N ARG 97.A O no hydrogen 2.952 N/A THR 101.A OG1 ARG 97.A O no hydrogen 2.540 N/A LEU 102.A N LEU 98.A O no hydrogen 3.014 N/A SER 103.A N LEU 99.A O no hydrogen 3.000 N/A SER 103.A OG TYR 50.A O no hydrogen 3.023 N/A CYS 104.A N ALA 100.A O no hydrogen 2.919 N/A CYS 104.A SG ALA 49.A O no hydrogen 3.674 N/A CYS 104.A SG ALA 100.A O no hydrogen 3.380 N/A VAL 105.A N THR 101.A O no hydrogen 2.914 N/A LEU 106.A N LEU 102.A O no hydrogen 3.105 N/A VAL 107.A N SER 103.A O no hydrogen 3.348 N/A LEU 108.A N CYS 104.A O no hydrogen 3.080 N/A LEU 109.A N VAL 105.A O no hydrogen 3.032 N/A LYS 110.A N LEU 106.A O no hydrogen 2.884 N/A LYS 110.A NZ ARG 57.A O no hydrogen 2.716 N/A TRP 111.A N VAL 107.A O no hydrogen 3.142 N/A TRP 111.A NE1 ALA 56.A O no hydrogen 2.759 N/A ASN 112.A N LEU 109.A O no hydrogen 2.988 N/A VAL 113.A N LEU 108.A O no hydrogen 2.993 N/A GLN 117.A N GLN 117.A OE1 no hydrogen 2.782 N/A GLN 117.A NE2 LEU 77.A O no hydrogen 3.108 N/A VAL 118.A N GLY 114.A O no hydrogen 2.902 N/A GLU 119.A N ASP 115.A O no hydrogen 3.033 N/A GLN 120.A N LEU 116.A O no hydrogen 2.986 N/A GLY 121.A N GLN 117.A O no hydrogen 2.792 N/A ILE 122.A N VAL 118.A O no hydrogen 2.839 N/A GLU 123.A N GLU 119.A O no hydrogen 3.142 N/A PHE 124.A N GLN 120.A O no hydrogen 3.085 N/A ILE 125.A N GLY 121.A O no hydrogen 3.042 N/A LYS 126.A N ILE 122.A O no hydrogen 2.949 N/A LYS 126.A NZ GLU 130.A OE2 no hydrogen 3.057 N/A SER 127.A N GLU 123.A O no hydrogen 2.979 N/A SER 127.A OG.B GLU 123.A O no hydrogen 2.864 N/A SER 127.A OG.B PHE 124.A O no hydrogen 3.202 N/A ASN 128.A N PHE 124.A O no hydrogen 2.964 N/A ASN 128.A ND2 PHE 124.A O no hydrogen 2.957 N/A LEU 129.A N ILE 125.A O no hydrogen 3.022 N/A GLU 130.A N LYS 126.A O no hydrogen 3.226 N/A LEU 131.A N ASN 128.A O no hydrogen 3.187 N/A VAL 132.A N LEU 129.A O no hydrogen 3.348 N/A LYS 133.A N ASP 137.A OD2 no hydrogen 3.160 N/A ASP 134.A N ASP 137.A OD2 no hydrogen 3.266 N/A THR 136.A OG1 ASP 134.A OD2 no hydrogen 2.708 N/A ASP 137.A N ASP 134.A O no hydrogen 3.021 N/A GLN 138.A N GLU 135.A O no hydrogen 3.013 N/A GLN 138.A NE2 TYR 169.A OH no hydrogen 2.624 N/A SER 140.A N ASP 139.A OD1 no hydrogen 2.765 N/A SER 140.A OG SER 397.A OG no hydrogen 2.728 N/A SER 140.A OG ASN 400.A OD1 no hydrogen 3.302 N/A VAL 142.A N SER 95.A OG no hydrogen 3.066 N/A THR 143.A N ALA 441.A O no hydrogen 2.841 N/A PHE 145.A N VAL 142.A O no hydrogen 3.124 N/A ILE 147.A N ASP 144.A O no hydrogen 3.034 N/A ILE 148.A N ASP 144.A O no hydrogen 2.896 N/A PHE 149.A N PHE 145.A O no hydrogen 2.864 N/A SER 151.A OG ILE 148.A O no hydrogen 2.931 N/A SER 151.A OG GLY 202.A O no hydrogen 3.417 N/A LEU 152.A N ILE 148.A O no hydrogen 2.979 N/A LEU 153.A N PHE 149.A O no hydrogen 2.834 N/A ARG 154.A N PRO 150.A O no hydrogen 2.973 N/A ARG 154.A NH1 GLN 174.A OE1 no hydrogen 3.165 N/A ARG 154.A NH2 GLN 174.A OE1 no hydrogen 2.696 N/A GLU 155.A N SER 151.A O no hydrogen 3.116 N/A ALA 156.A N LEU 152.A O no hydrogen 3.182 N/A GLN 157.A N LEU 153.A O no hydrogen 2.919 N/A SER 158.A N ARG 154.A O no hydrogen 3.099 N/A SER 158.A OG GLU 155.A O no hydrogen 2.662 N/A LEU 159.A N GLU 155.A O no hydrogen 3.321 N/A ARG 160.A N GLN 157.A O no hydrogen 2.853 N/A LEU 161.A N ALA 156.A O no hydrogen 3.211 N/A LEU 163.A N LEU 161.A O no hydrogen 2.755 N/A TYR 165.A N LEU 163.A O no hydrogen 2.944 N/A TYR 165.A OH LEU 161.A O no hydrogen 2.796 N/A LEU 167.A N PRO 164.A O no hydrogen 3.379 N/A HIS 171.A N LEU 167.A O no hydrogen 3.090 N/A HIS 171.A NE2 ASP 166.A OD2 no hydrogen 2.824 N/A LEU 172.A N PRO 168.A O no hydrogen 2.786 N/A LEU 173.A N TYR 169.A O no hydrogen 3.020 N/A GLN 174.A N ILE 170.A O no hydrogen 3.217 N/A GLN 174.A NE2 GLN 178.A OE1 no hydrogen 3.034 N/A THR 175.A N HIS 171.A O no hydrogen 2.966 N/A THR 175.A OG1 HIS 171.A O no hydrogen 3.236 N/A LYS 176.A N LEU 172.A O no hydrogen 2.857 N/A ARG 177.A N LEU 173.A O no hydrogen 2.799 N/A ARG 177.A NH1 ILE 147.A O no hydrogen 2.936 N/A ARG 177.A NH1 GLY 202.A O no hydrogen 2.837 N/A GLN 178.A N GLN 174.A O no hydrogen 3.005 N/A GLU 179.A N THR 175.A O no hydrogen 3.062 N/A ARG 180.A N LYS 176.A O no hydrogen 2.931 N/A ARG 180.A NH1 ASP 144.A OD1 no hydrogen 2.656 N/A ARG 180.A NH2 ASP 144.A OD1 no hydrogen 2.969 N/A LEU 181.A N ARG 177.A O no hydrogen 2.921 N/A ALA 182.A N GLN 178.A O no hydrogen 2.941 N/A LYS 183.A N ARG 180.A O no hydrogen 3.367 N/A LEU 184.A N LEU 181.A O no hydrogen 3.293 N/A SER 185.A OG GLU 188.A OE1 no hydrogen 2.935 N/A ARG 186.A NH2 LEU 181.A O no hydrogen 3.228 N/A ILE 189.A N ARG 186.A O no hydrogen 3.026 N/A TYR 190.A N GLU 187.A O no hydrogen 3.427 N/A ALA 191.A N GLU 188.A O no hydrogen 3.019 N/A VAL 192.A N GLU 188.A O no hydrogen 2.827 N/A LEU 197.A N SER 194.A O no hydrogen 3.070 N/A TYR 198.A N PRO 195.A O no hydrogen 3.068 N/A TYR 198.A OH CYS 258.A O no hydrogen 2.665 N/A SER 199.A N LEU 196.A O no hydrogen 3.008 N/A SER 199.A OG ASP 144.A OD2 no hydrogen 2.642 N/A LEU 200.A N SER 228.A OG no hydrogen 3.040 N/A GLU 201.A N GLU 201.A OE1 no hydrogen 2.759 N/A GLY 202.A N SER 199.A O no hydrogen 2.979 N/A ILE 203.A N LEU 200.A O no hydrogen 3.033 N/A GLN 204.A NE2 GLU 201.A O no hydrogen 2.959 N/A ILE 206.A N ILE 203.A O no hydrogen 3.095 N/A VAL 207.A N ILE 203.A O no hydrogen 3.377 N/A GLU 208.A N TYR 190.A OH no hydrogen 2.736 N/A GLU 210.A N GLU 208.A OE2 no hydrogen 3.051 N/A ARG 211.A N GLU 208.A O no hydrogen 3.045 N/A ARG 211.A NH1 GLU 187.A OE1 no hydrogen 3.182 N/A ARG 211.A NH2 GLU 187.A OE2 no hydrogen 2.509 N/A ILE 212.A N TRP 209.A O no hydrogen 3.440 N/A VAL 215.A N ILE 212.A O no hydrogen 3.247 N/A GLN 216.A N MET 213.A O no hydrogen 3.140 N/A GLN 216.A NE2 GLY 220.A O no hydrogen 2.944 N/A GLN 216.A NE2 ASP 238.A OD2 no hydrogen 2.972 N/A SER 217.A N SER 221.A O no hydrogen 2.858 N/A SER 217.A OG SER 221.A O no hydrogen 3.386 N/A GLY 220.A N SER 217.A O no hydrogen 2.846 N/A SER 221.A N ASP 219.A OD1 no hydrogen 2.919 N/A SER 221.A OG ASP 219.A OD1 no hydrogen 2.881 N/A PHE 222.A N THR 229.A OG1 no hydrogen 2.899 N/A SER 224.A N SER 221.A OG no hydrogen 3.057 N/A SER 224.A OG LEU 223.A O no hydrogen 2.577 N/A SER 225.A N PHE 222.A O no hydrogen 3.085 N/A SER 225.A OG TYR 198.A O no hydrogen 3.278 N/A ALA 227.A N ASP 51.A OD1 no hydrogen 3.043 N/A SER 228.A N SER 225.A OG no hydrogen 3.002 N/A SER 228.A OG LEU 197.A O no hydrogen 2.688 N/A THR 229.A N SER 225.A O no hydrogen 2.988 N/A THR 229.A OG1 SER 225.A O no hydrogen 2.726 N/A ALA 230.A N PRO 226.A O no hydrogen 2.818 N/A CYS 231.A N ALA 227.A O no hydrogen 3.044 N/A VAL 232.A N SER 228.A O no hydrogen 3.130 N/A PHE 233.A N THR 229.A O no hydrogen 2.829 N/A MET 234.A N ALA 230.A O no hydrogen 2.987 N/A HIS 235.A N CYS 231.A O no hydrogen 3.225 N/A HIS 235.A N VAL 232.A O no hydrogen 3.075 N/A HIS 235.A NE2 GLN 204.A OE1 no hydrogen 3.069 N/A THR 236.A N VAL 232.A O no hydrogen 2.923 N/A THR 236.A N PHE 233.A O no hydrogen 3.119 N/A THR 236.A OG1 VAL 232.A O no hydrogen 2.773 N/A GLY 237.A N PHE 233.A O no hydrogen 2.686 N/A ASP 238.A N THR 236.A OG1 no hydrogen 3.089 N/A LYS 240.A NZ GLN 218.A O no hydrogen 2.997 N/A CYS 241.A N ASP 238.A OD2 no hydrogen 2.903 N/A CYS 241.A SG GLY 220.A O no hydrogen 3.823 N/A CYS 241.A SG ASP 238.A OD2 no hydrogen 3.562 N/A LEU 242.A N ASP 238.A O no hydrogen 3.278 N/A GLU 243.A N ALA 239.A O no hydrogen 3.042 N/A PHE 244.A N LYS 240.A O no hydrogen 3.039 N/A LEU 245.A N CYS 241.A O no hydrogen 3.106 N/A ASN 246.A N LEU 242.A O no hydrogen 2.829 N/A SER 247.A N GLU 243.A O no hydrogen 2.941 N/A SER 247.A OG PHE 244.A O no hydrogen 2.687 N/A VAL 248.A N PHE 244.A O no hydrogen 3.097 N/A MET 249.A N LEU 245.A O no hydrogen 3.065 N/A ILE 250.A N ASN 246.A O no hydrogen 2.901 N/A LYS 251.A N SER 247.A O no hydrogen 3.087 N/A LYS 251.A NZ GLU 42.A O no hydrogen 3.070 N/A PHE 252.A N VAL 248.A O no hydrogen 2.920 N/A GLY 253.A N MET 249.A O no hydrogen 2.638 N/A VAL 256.A N THR 52.A OG1 no hydrogen 2.972 N/A TYR 260.A N SER 224.A O no hydrogen 2.935 N/A VAL 262.A N SER 43.A OG no hydrogen 2.841 N/A LEU 265.A N TRP 305.A O no hydrogen 3.017 N/A GLU 266.A N VAL 262.A O no hydrogen 2.864 N/A ARG 267.A N ASP 263.A O no hydrogen 3.313 N/A ARG 267.A NH1 ASP 263.A O no hydrogen 3.456 N/A ARG 267.A NH2 GLU 42.A OE1 no hydrogen 3.276 N/A LEU 268.A N LEU 264.A O no hydrogen 3.062 N/A LEU 269.A N LEU 265.A O no hydrogen 2.854 N/A ILE 270.A N GLU 266.A O no hydrogen 2.944 N/A VAL 271.A N ARG 267.A O no hydrogen 3.121 N/A ASP 272.A N LEU 268.A O no hydrogen 2.830 N/A ASN 273.A N LEU 269.A O no hydrogen 3.016 N/A ASN 273.A ND2 LEU 269.A O no hydrogen 2.812 N/A ILE 274.A N ILE 270.A O no hydrogen 3.020 N/A VAL 275.A N VAL 271.A O no hydrogen 2.875 N/A ARG 276.A N ASP 272.A O no hydrogen 2.907 N/A LEU 277.A N ASN 273.A O no hydrogen 2.945 N/A GLY 278.A N VAL 275.A O no hydrogen 3.017 N/A ILE 279.A N ILE 274.A O no hydrogen 3.236 N/A ARG 281.A NH1 ASP 462.A OD2 no hydrogen 2.719 N/A ARG 281.A NH2 ASP 462.A OD1 no hydrogen 2.942 N/A HIS 282.A N ILE 279.A O no hydrogen 3.244 N/A HIS 282.A NE2 ASP 462.A OD1 no hydrogen 3.251 N/A HIS 282.A NE2 ASP 462.A OD2 no hydrogen 3.273 N/A PHE 283.A N TYR 280.A O no hydrogen 2.994 N/A ILE 287.A N PHE 283.A O no hydrogen 2.962 N/A LYS 288.A N GLU 284.A O no hydrogen 3.063 N/A LYS 288.A NZ ASP 292.A OD2 no hydrogen 2.656 N/A GLU 289.A N LYS 285.A O no hydrogen 2.992 N/A ALA 290.A N GLU 286.A O no hydrogen 2.887 N/A LEU 291.A N ILE 287.A O no hydrogen 2.859 N/A ASP 292.A N LYS 288.A O no hydrogen 2.785 N/A TYR 293.A N GLU 289.A O no hydrogen 3.322 N/A TYR 293.A OH ASP 263.A OD2 no hydrogen 2.650 N/A VAL 294.A N ALA 290.A O no hydrogen 3.113 N/A TYR 295.A N LEU 291.A O no hydrogen 2.755 N/A TYR 295.A OH ASN 330.A O no hydrogen 2.935 N/A ARG 296.A N ASP 292.A O no hydrogen 2.958 N/A HIS 297.A N VAL 294.A O no hydrogen 2.985 N/A HIS 297.A ND1 TYR 293.A O no hydrogen 3.105 N/A TRP 298.A N TYR 295.A O no hydrogen 3.107 N/A ASN 299.A ND2 HIS 297.A O no hydrogen 3.579 N/A ASN 299.A ND2 GLY 302.A O no hydrogen 2.674 N/A ARG 301.A N ASN 299.A OD1 no hydrogen 2.850 N/A GLY 302.A N ASN 299.A O no hydrogen 2.990 N/A ILE 303.A N THR 317.A OG1 no hydrogen 2.917 N/A TRP 305.A NE1 SER 224.A OG no hydrogen 2.867 N/A ARG 307.A N ASP 263.A OD1 no hydrogen 2.978 N/A ARG 307.A NH1 ASP 263.A OD2 no hydrogen 2.975 N/A ASN 309.A N GLY 306.A O no hydrogen 3.152 N/A ASP 313.A N ILE 303.A O no hydrogen 2.895 N/A THR 316.A N ASP 313.A OD2 no hydrogen 2.918 N/A THR 316.A OG1 ASP 313.A OD2 no hydrogen 2.700 N/A THR 317.A N ASP 313.A O no hydrogen 2.853 N/A THR 317.A OG1 ILE 303.A O no hydrogen 2.873 N/A THR 317.A OG1 ASP 313.A O no hydrogen 2.967 N/A ALA 318.A N LEU 314.A O no hydrogen 2.755 N/A LEU 319.A N GLU 315.A O no hydrogen 3.125 N/A GLY 320.A N THR 316.A O no hydrogen 2.791 N/A PHE 321.A N THR 317.A O no hydrogen 2.862 N/A ARG 322.A N ALA 318.A O no hydrogen 3.160 N/A ARG 322.A NH2 ASP 272.A OD1 no hydrogen 2.722 N/A LEU 323.A N LEU 319.A O no hydrogen 3.042 N/A LEU 324.A N GLY 320.A O no hydrogen 2.848 N/A ARG 325.A N PHE 321.A O no hydrogen 2.982 N/A ARG 325.A NH1 LEU 367.A O no hydrogen 2.775 N/A ARG 325.A NH1 GLU 372.A OE1 no hydrogen 2.744 N/A ARG 325.A NH1 GLU 372.A OE2 no hydrogen 3.540 N/A ARG 325.A NH2 VAL 331.A O no hydrogen 3.162 N/A ARG 325.A NH2 GLU 372.A OE1 no hydrogen 3.551 N/A ARG 325.A NH2 GLU 372.A OE2 no hydrogen 2.801 N/A LEU 326.A N ARG 322.A O no hydrogen 2.875 N/A HIS 327.A N LEU 323.A O no hydrogen 3.014 N/A HIS 327.A N LEU 324.A O no hydrogen 3.075 N/A HIS 327.A ND1 LEU 323.A O no hydrogen 2.808 N/A ARG 328.A N ARG 325.A O no hydrogen 3.013 N/A ARG 328.A NE LEU 724.A O no hydrogen 3.593 N/A ARG 328.A NH2 LYS 725.A O no hydrogen 3.064 N/A TYR 329.A N LEU 324.A O no hydrogen 2.936 N/A TYR 329.A OH ASP 292.A OD1 no hydrogen 2.661 N/A ALA 334.A N SER 332.A OG no hydrogen 3.165 N/A ILE 335.A N SER 332.A O no hydrogen 3.229 N/A PHE 336.A N PRO 333.A O no hydrogen 2.974 N/A ASP 337.A N ALA 334.A O no hydrogen 3.031 N/A ASN 338.A N ILE 335.A O no hydrogen 3.156 N/A ASN 338.A ND2 GLU 300.A O no hydrogen 2.676 N/A ASN 338.A ND2 ILE 335.A O no hydrogen 2.763 N/A PHE 339.A N PHE 336.A O no hydrogen 3.039 N/A LYS 340.A N ASP 337.A O no hydrogen 3.275 N/A LYS 340.A NZ GLU 377.A OE1 no hydrogen 3.148 N/A LYS 343.A NZ GLU 377.A O no hydrogen 3.173 N/A ILE 345.A N PHE 339.A O no hydrogen 3.246 N/A CYS 346.A SG ASP 354.A OD1 no hydrogen 3.822 N/A SER 347.A OG ILE 345.A O no hydrogen 3.141 N/A GLN 350.A NE2 LEU 141.A O no hydrogen 2.856 N/A LYS 353.A N GLN 350.A OE1 no hydrogen 2.798 N/A LYS 353.A NZ ASP 313.A OD1 no hydrogen 2.942 N/A LYS 353.A NZ ASP 313.A OD2 no hydrogen 2.923 N/A LYS 353.A NZ GLU 315.A OE1 no hydrogen 2.841 N/A ASP 354.A N GLN 350.A O no hydrogen 3.032 N/A VAL 355.A N PHE 351.A O no hydrogen 2.845 N/A ALA 356.A N ASN 352.A O no hydrogen 2.867 N/A SER 357.A N LYS 353.A O no hydrogen 2.876 N/A SER 357.A OG LYS 353.A O no hydrogen 2.906 N/A MET 358.A N ASP 354.A O no hydrogen 3.106 N/A LEU 359.A N VAL 355.A O no hydrogen 2.851 N/A ASN 360.A N ALA 356.A O no hydrogen 2.937 N/A ASN 360.A ND2 GLU 315.A O no hydrogen 3.042 N/A LEU 361.A N SER 357.A O no hydrogen 2.840 N/A TYR 362.A N MET 358.A O no hydrogen 2.847 N/A TYR 362.A OH ALA 412.A O no hydrogen 3.044 N/A ARG 363.A N LEU 359.A O no hydrogen 2.998 N/A ALA 364.A N ASN 360.A O no hydrogen 2.883 N/A SER 365.A N LEU 361.A O no hydrogen 2.922 N/A SER 365.A OG TYR 362.A O no hydrogen 2.733 N/A GLN 366.A N ARG 363.A O no hydrogen 3.215 N/A GLN 366.A NE2 TYR 362.A O no hydrogen 3.538 N/A LEU 367.A N ALA 364.A O no hydrogen 3.028 N/A PHE 369.A N GLU 372.A OE1 no hydrogen 2.816 N/A GLU 372.A N PHE 369.A O no hydrogen 3.186 N/A LEU 375.A N GLU 372.A O no hydrogen 3.024 N/A GLU 377.A N ASN 373.A O no hydrogen 2.991 N/A ALA 378.A N ILE 374.A O no hydrogen 2.815 N/A LYS 379.A N LEU 375.A O no hydrogen 2.861 N/A SER 380.A N ASP 376.A O no hydrogen 3.151 N/A SER 380.A OG.A ASP 376.A O no hydrogen 3.550 N/A PHE 381.A N GLU 377.A O no hydrogen 2.976 N/A ALA 382.A N ALA 378.A O no hydrogen 2.863 N/A THR 383.A N LYS 379.A O no hydrogen 2.905 N/A THR 383.A OG1 LYS 379.A O no hydrogen 2.918 N/A LYS 384.A N SER 380.A O no hydrogen 3.107 N/A TYR 385.A N PHE 381.A O no hydrogen 2.924 N/A LEU 386.A N ALA 382.A O no hydrogen 2.897 N/A ARG 387.A N THR 383.A O no hydrogen 2.943 N/A GLU 388.A N LYS 384.A O no hydrogen 3.024 N/A ALA 389.A N TYR 385.A O no hydrogen 2.834 N/A LEU 390.A N LEU 386.A O no hydrogen 3.077 N/A GLU 391.A N GLU 388.A O no hydrogen 2.966 N/A LYS 392.A N ALA 389.A O no hydrogen 2.963 N/A LYS 392.A NZ GLU 388.A OE2 no hydrogen 2.976 N/A GLU 394.A N GLU 394.A OE1 no hydrogen 2.744 N/A THR 395.A N LYS 392.A O no hydrogen 3.155 N/A THR 395.A OG1 ALA 389.A O no hydrogen 2.555 N/A SER 396.A N SER 393.A O no hydrogen 2.914 N/A SER 397.A N GLU 394.A O no hydrogen 2.975 N/A SER 397.A OG ASP 139.A OD1 no hydrogen 3.440 N/A SER 397.A OG SER 140.A OG no hydrogen 2.728 N/A SER 397.A OG GLU 394.A O no hydrogen 3.394 N/A TRP 399.A N ASP 139.A OD1 no hydrogen 2.908 N/A ASN 400.A N SER 397.A OG no hydrogen 3.053 N/A ASN 400.A ND2 ASN 352.A OD1 no hydrogen 2.861 N/A ASN 401.A N SER 397.A O no hydrogen 2.826 N/A LYS 402.A N ALA 398.A O no hydrogen 2.955 N/A GLN 403.A N TRP 399.A O no hydrogen 3.277 N/A GLN 403.A N ASN 400.A O no hydrogen 3.091 N/A GLN 403.A NE2 ALA 438.A O no hydrogen 2.967 N/A ASN 404.A N ASN 401.A O no hydrogen 3.058 N/A LEU 405.A N ASN 400.A O no hydrogen 3.043 N/A SER 406.A OG GLN 407.A OE1 no hydrogen 2.825 N/A GLN 407.A N GLN 407.A OE1 no hydrogen 2.867 N/A GLU 408.A N ASN 404.A O no hydrogen 2.971 N/A ILE 409.A N LEU 405.A O no hydrogen 2.886 N/A LYS 410.A N SER 406.A O no hydrogen 2.989 N/A TYR 411.A N GLN 407.A O no hydrogen 2.916 N/A TYR 411.A OH GLU 425.A OE1 no hydrogen 2.667 N/A TYR 411.A OH GLU 425.A OE2 no hydrogen 2.928 N/A ALA 412.A N GLU 408.A O no hydrogen 3.032 N/A LEU 413.A N ILE 409.A O no hydrogen 3.022 N/A LYS 414.A N LYS 410.A O no hydrogen 3.129 N/A THR 415.A N ALA 412.A O no hydrogen 3.215 N/A THR 415.A OG1 TYR 411.A O no hydrogen 2.705 N/A TRP 417.A N GLN 366.A OE1 no hydrogen 2.788 N/A HIS 418.A NE2 THR 720.A OG1 no hydrogen 2.688 N/A ALA 419.A N SER 416.A OG no hydrogen 3.146 N/A SER 420.A OG SER 416.A O no hydrogen 2.806 N/A ARG 423.A N ALA 505.A O no hydrogen 3.041 N/A ARG 423.A NH1 GLY 278.A O no hydrogen 3.235 N/A GLU 425.A N VAL 421.A O no hydrogen 2.888 N/A ALA 426.A N PRO 422.A O no hydrogen 3.102 N/A LYS 427.A N ARG 423.A O no hydrogen 2.929 N/A LYS 427.A NZ GLU 767.A O no hydrogen 2.692 N/A LYS 427.A NZ GLU 771.A O no hydrogen 2.734 N/A ARG 428.A N VAL 424.A O no hydrogen 2.837 N/A ARG 428.A NE GLU 767.A OE2 no hydrogen 2.963 N/A ARG 428.A NH1 TYR 411.A OH no hydrogen 2.978 N/A ARG 428.A NH2 GLU 767.A OE1 no hydrogen 3.010 N/A TYR 429.A N GLU 425.A O no hydrogen 2.954 N/A TYR 429.A OH ASN 273.A OD1 no hydrogen 2.623 N/A CYS 430.A N ALA 426.A O no hydrogen 2.980 N/A CYS 430.A SG LEU 277.A O no hydrogen 3.912 N/A CYS 430.A SG ALA 426.A O no hydrogen 3.401 N/A GLN 431.A N ARG 428.A O no hydrogen 2.977 N/A VAL 432.A N TYR 429.A O no hydrogen 2.961 N/A TYR 433.A N TYR 429.A O no hydrogen 2.814 N/A TYR 433.A OH VAL 450.A O no hydrogen 2.700 N/A TYR 433.A OH ASN 452.A O no hydrogen 3.408 N/A ARG 434.A NH1 LYS 402.A O no hydrogen 2.882 N/A ARG 434.A NH2 LYS 402.A O no hydrogen 2.908 N/A TYR 437.A N ARG 434.A O no hydrogen 3.265 N/A ARG 439.A N TYR 445.A O no hydrogen 2.742 N/A ARG 439.A NH2 ASN 451.A OD1 no hydrogen 2.943 N/A ALA 441.A N CYS 443.A O no hydrogen 2.929 N/A LYS 442.A N TYR 198.A OH no hydrogen 3.274 N/A LYS 442.A NZ TYR 198.A O no hydrogen 2.895 N/A LYS 442.A NZ GLU 201.A OE2 no hydrogen 2.817 N/A CYS 443.A SG VAL 444.A O no hydrogen 3.506 N/A VAL 444.A N ASP 96.A OD1 no hydrogen 3.011 N/A TYR 445.A N ARG 439.A O no hydrogen 2.859 N/A LYS 446.A N THR 46.A OG1 no hydrogen 2.953 N/A LYS 446.A NZ SER 90.A OG no hydrogen 2.701 N/A LYS 446.A NZ ASP 436.A OD1 no hydrogen 2.664 N/A LYS 446.A NZ ASP 436.A OD2 no hydrogen 3.231 N/A TYR 449.A OH GLY 41.A O no hydrogen 3.052 N/A VAL 450.A N LEU 447.A O no hydrogen 2.895 N/A ASN 451.A N LEU 447.A O no hydrogen 3.000 N/A ASN 451.A ND2 ARG 434.A O no hydrogen 3.003 N/A ASN 452.A N TYR 433.A OH no hydrogen 2.984 N/A ASN 452.A ND2 PRO 448.A O no hydrogen 3.066 N/A LYS 454.A NZ GLU 28.A OE1 no hydrogen 2.813 N/A LYS 454.A NZ GLU 28.A OE2 no hydrogen 3.550 N/A PHE 455.A N ASN 452.A OD1 no hydrogen 2.878 N/A GLU 457.A N GLU 453.A O no hydrogen 2.896 N/A LEU 458.A N LYS 454.A O no hydrogen 2.972 N/A GLY 459.A N PHE 455.A O no hydrogen 2.897 N/A LYS 460.A N LEU 456.A O no hydrogen 3.003 N/A LEU 461.A N GLU 457.A O no hydrogen 3.177 N/A ASP 462.A N LEU 458.A O no hydrogen 2.806 N/A PHE 463.A N GLY 459.A O no hydrogen 3.123 N/A ASN 464.A N LYS 460.A O no hydrogen 3.097 N/A ASN 464.A ND2 LEU 773.A O no hydrogen 2.830 N/A ILE 465.A N LEU 461.A O no hydrogen 2.904 N/A ILE 466.A N ASP 462.A O no hydrogen 2.991 N/A GLN 467.A N PHE 463.A O no hydrogen 2.929 N/A GLN 467.A NE2 CYS 768.A O no hydrogen 3.049 N/A GLN 467.A NE2 GLU 771.A O no hydrogen 2.916 N/A SER 468.A N ASN 464.A O no hydrogen 2.922 N/A SER 468.A OG ASN 464.A O no hydrogen 3.439 N/A SER 468.A OG ILE 465.A O no hydrogen 2.793 N/A ILE 469.A N ILE 465.A O no hydrogen 2.996 N/A HIS 470.A N ILE 466.A O no hydrogen 2.968 N/A HIS 470.A NE2 TYR 508.A O no hydrogen 2.845 N/A GLN 471.A N GLN 467.A O no hydrogen 2.826 N/A GLN 471.A NE2 LEU 769.A O no hydrogen 2.916 N/A GLU 472.A N SER 468.A O no hydrogen 3.193 N/A GLU 473.A N ILE 469.A O no hydrogen 3.141 N/A MET 474.A N HIS 470.A O no hydrogen 2.848 N/A LYS 475.A N GLN 471.A O no hydrogen 3.194 N/A LYS 475.A NZ LEU 9.A O no hydrogen 2.569 N/A LYS 475.A NZ GLU 472.A OE2 no hydrogen 2.829 N/A ASN 476.A N GLU 472.A O no hydrogen 3.293 N/A VAL 477.A N GLU 473.A O no hydrogen 2.802 N/A THR 478.A N MET 474.A O no hydrogen 2.888 N/A THR 478.A OG1 HIS 7.A NE2 no hydrogen 3.364 N/A THR 478.A OG1 MET 474.A O no hydrogen 2.941 N/A THR 478.A OG1 LYS 475.A O no hydrogen 3.228 N/A SER 479.A N LYS 475.A O no hydrogen 2.907 N/A SER 479.A OG.A HIS 7.A NE2 no hydrogen 3.128 N/A SER 479.A OG.A LYS 475.A O no hydrogen 2.739 N/A TRP 480.A N ASN 476.A O no hydrogen 2.873 N/A PHE 481.A N VAL 477.A O no hydrogen 2.898 N/A ARG 482.A N THR 478.A O no hydrogen 3.106 N/A ASP 483.A N TRP 480.A O no hydrogen 3.158 N/A SER 484.A N PHE 481.A O no hydrogen 3.155 N/A SER 484.A OG PHE 481.A O no hydrogen 2.688 N/A LEU 486.A N SER 484.A OG no hydrogen 3.116 N/A LEU 488.A N GLY 485.A O no hydrogen 3.044 N/A PHE 489.A N LEU 486.A O no hydrogen 3.128 N/A THR 490.A N LEU 488.A O no hydrogen 2.997 N/A ALA 492.A N PHE 489.A O no hydrogen 2.939 N/A ARG 493.A NH2 GLU 498.A OE2 no hydrogen 3.512 N/A ARG 495.A NH2 THR 527.A OG1 no hydrogen 3.156 N/A PHE 499.A N ARG 495.A O no hydrogen 3.115 N/A TYR 500.A N PRO 496.A O no hydrogen 2.915 N/A TYR 500.A OH GLU 473.A OE1 no hydrogen 2.639 N/A PHE 501.A N LEU 497.A O no hydrogen 2.817 N/A LEU 502.A N GLU 498.A O no hydrogen 3.084 N/A VAL 503.A N TYR 500.A O no hydrogen 3.209 N/A ALA 504.A N TYR 500.A O no hydrogen 2.814 N/A ALA 505.A N PHE 501.A O no hydrogen 2.955 N/A GLY 506.A N VAL 503.A O no hydrogen 3.254 N/A THR 507.A N VAL 503.A O no hydrogen 2.798 N/A TYR 508.A OH TYR 280.A OH no hydrogen 2.651 N/A GLU 509.A N GLU 509.A OE1 no hydrogen 2.702 N/A GLN 511.A N GLN 511.A OE1 no hydrogen 2.774 N/A TYR 512.A N GLU 509.A O no hydrogen 3.047 N/A LYS 514.A NZ GLU 581.A OE2 no hydrogen 3.079 N/A CYS 515.A SG GLY 640.A O no hydrogen 3.364 N/A ARG 516.A N TYR 512.A O no hydrogen 3.113 N/A ARG 516.A NE GLU 473.A OE1 no hydrogen 2.765 N/A ARG 516.A NH1 THR 507.A O no hydrogen 2.983 N/A ARG 516.A NH1 GLU 509.A O no hydrogen 2.730 N/A ARG 516.A NH2 GLU 473.A OE2 no hydrogen 2.824 N/A ARG 516.A NH2 GLU 509.A O no hydrogen 2.998 N/A PHE 517.A N ALA 513.A O no hydrogen 2.954 N/A LEU 518.A N LYS 514.A O no hydrogen 2.921 N/A PHE 519.A N CYS 515.A O no hydrogen 2.992 N/A THR 520.A N ARG 516.A O no hydrogen 2.987 N/A THR 520.A OG1 ARG 516.A O no hydrogen 2.769 N/A LYS 521.A N PHE 517.A O no hydrogen 2.967 N/A LYS 521.A NZ GLU 577.A OE1 no hydrogen 3.169 N/A LYS 521.A NZ GLU 577.A OE2 no hydrogen 2.901 N/A VAL 522.A N LEU 518.A O no hydrogen 3.007 N/A ALA 523.A N PHE 519.A O no hydrogen 2.970 N/A CYS 524.A N THR 520.A O no hydrogen 3.028 N/A CYS 524.A SG THR 520.A O no hydrogen 3.306 N/A LEU 525.A N LYS 521.A O no hydrogen 3.014 N/A GLN 526.A N VAL 522.A O no hydrogen 2.837 N/A GLN 526.A NE2 GLY 632.A O no hydrogen 2.802 N/A THR 527.A N ALA 523.A O no hydrogen 3.105 N/A LEU 529.A N LEU 525.A O no hydrogen 2.967 N/A ASP 530.A N GLN 526.A O no hydrogen 2.729 N/A ASP 531.A N THR 527.A O no hydrogen 3.222 N/A MET 532.A N VAL 528.A O no hydrogen 2.928 N/A TYR 533.A N LEU 529.A O no hydrogen 2.953 N/A TYR 533.A OH THR 546.A OG1 no hydrogen 2.751 N/A ASP 534.A N ASP 530.A O no hydrogen 2.872 N/A THR 535.A OG1 ASP 534.A OD1 no hydrogen 2.735 N/A TYR 536.A N ASP 531.A O no hydrogen 2.838 N/A GLY 537.A N MET 532.A O no hydrogen 2.771 N/A THR 538.A N GLU 541.A OE1 no hydrogen 3.157 N/A THR 538.A OG1 ASP 540.A OD1 no hydrogen 2.795 N/A GLU 541.A N THR 538.A OG1 no hydrogen 3.147 N/A LEU 542.A N THR 538.A O no hydrogen 2.749 N/A LYS 543.A N LEU 539.A O no hydrogen 2.737 N/A LEU 544.A N ASP 540.A O no hydrogen 3.246 N/A PHE 545.A N GLU 541.A O no hydrogen 2.967 N/A THR 546.A N LEU 542.A O no hydrogen 2.913 N/A THR 546.A OG1 TYR 533.A OH no hydrogen 2.751 N/A THR 546.A OG1 LEU 542.A O no hydrogen 2.713 N/A GLU 547.A N LYS 543.A O no hydrogen 3.022 N/A ALA 548.A N LEU 544.A O no hydrogen 3.050 N/A VAL 549.A N PHE 545.A O no hydrogen 2.978 N/A ARG 550.A N THR 546.A O no hydrogen 3.246 N/A ARG 550.A NH1 GLU 547.A OE1 no hydrogen 3.006 N/A ARG 551.A N GLU 547.A O no hydrogen 3.236 N/A ARG 551.A N ALA 548.A O no hydrogen 3.200 N/A ARG 551.A NE GLU 547.A OE2 no hydrogen 3.371 N/A TRP 552.A N ALA 548.A O no hydrogen 3.271 N/A TRP 552.A NE1 GLU 599.A OE1 no hydrogen 2.795 N/A SER 555.A N ASP 553.A OD2 no hydrogen 2.822 N/A SER 555.A OG ASP 553.A OD1 no hydrogen 3.407 N/A SER 555.A OG ASP 553.A OD2 no hydrogen 2.588 N/A PHE 556.A N ASP 553.A O no hydrogen 3.085 N/A THR 557.A N LEU 554.A O no hydrogen 3.247 N/A THR 557.A OG1 LEU 554.A O no hydrogen 2.837 N/A ASN 559.A N PHE 556.A O no hydrogen 3.336 N/A ASN 559.A ND2 PHE 556.A O no hydrogen 2.554 N/A LEU 560.A N THR 557.A O no hydrogen 2.926 N/A TYR 563.A OH GLU 541.A OE1 no hydrogen 2.826 N/A LYS 565.A N PRO 561.A O no hydrogen 2.952 N/A LYS 565.A NZ THR 557.A O no hydrogen 2.860 N/A LYS 565.A NZ GLU 558.A O no hydrogen 2.868 N/A LYS 565.A NZ LEU 560.A O no hydrogen 3.120 N/A LEU 566.A N ASP 562.A O no hydrogen 3.231 N/A CYS 567.A N TYR 563.A O no hydrogen 2.989 N/A TYR 568.A N MET 564.A O no hydrogen 2.796 N/A TYR 568.A OH ALA 548.A O no hydrogen 3.033 N/A GLN 569.A N LYS 565.A O no hydrogen 3.163 N/A ILE 570.A N LEU 566.A O no hydrogen 3.068 N/A TYR 571.A N CYS 567.A O no hydrogen 2.973 N/A TYR 572.A N TYR 568.A O no hydrogen 2.838 N/A ASP 573.A N GLN 569.A O no hydrogen 3.012 N/A ILE 574.A N ILE 570.A O no hydrogen 2.977 N/A VAL 575.A N TYR 571.A O no hydrogen 2.952 N/A HIS 576.A N TYR 572.A O no hydrogen 3.173 N/A HIS 576.A ND1 TYR 572.A O no hydrogen 2.874 N/A GLU 577.A N ASP 573.A O no hydrogen 2.913 N/A VAL 578.A N ILE 574.A O no hydrogen 2.965 N/A ALA 579.A N VAL 575.A O no hydrogen 2.890 N/A TRP 580.A N HIS 576.A O no hydrogen 2.820 N/A GLU 581.A N GLU 577.A O no hydrogen 2.992 N/A ALA 582.A N VAL 578.A O no hydrogen 2.839 N/A GLU 583.A N ALA 579.A O no hydrogen 2.876 N/A LYS 584.A N TRP 580.A O no hydrogen 2.945 N/A GLU 585.A N GLU 581.A O no hydrogen 2.984 N/A GLN 586.A N ALA 582.A O no hydrogen 2.790 N/A GLN 586.A NE2 LEU 642.A O no hydrogen 3.002 N/A GLN 586.A NE2 GLN 647.A O no hydrogen 3.108 N/A GLY 587.A N GLU 583.A O no hydrogen 2.821 N/A ARG 588.A NE LEU 649.A O no hydrogen 3.229 N/A ARG 588.A NH2 LEU 649.A O no hydrogen 2.909 N/A LEU 590.A N GLU 583.A OE2 no hydrogen 2.700 N/A VAL 591.A N GLU 583.A OE2 no hydrogen 3.116 N/A SER 592.A N GLU 589.A OE2 no hydrogen 2.762 N/A SER 592.A OG GLU 589.A OE1 no hydrogen 2.951 N/A SER 592.A OG GLU 589.A OE2 no hydrogen 3.122 N/A PHE 594.A N LEU 590.A O no hydrogen 2.950 N/A ARG 595.A N VAL 591.A O no hydrogen 2.895 N/A ARG 595.A NE HIS 576.A NE2 no hydrogen 3.126 N/A ARG 595.A NH2 HIS 576.A NE2 no hydrogen 2.889 N/A LYS 596.A N SER 592.A O no hydrogen 2.995 N/A LYS 596.A NZ ASP 600.A OD1 no hydrogen 3.087 N/A LYS 596.A NZ ASP 600.A OD2 no hydrogen 2.612 N/A GLY 597.A N PHE 593.A O no hydrogen 3.111 N/A TRP 598.A N PHE 594.A O no hydrogen 2.938 N/A GLU 599.A N ARG 595.A O no hydrogen 2.956 N/A ASP 600.A N LYS 596.A O no hydrogen 2.963 N/A TYR 601.A N GLY 597.A O no hydrogen 3.119 N/A TYR 601.A OH TYR 605.A OH no hydrogen 2.673 N/A LEU 602.A N TRP 598.A O no hydrogen 2.930 N/A LEU 603.A N GLU 599.A O no hydrogen 2.800 N/A GLY 604.A N ASP 600.A O no hydrogen 3.070 N/A TYR 605.A N TYR 601.A O no hydrogen 3.047 N/A TYR 605.A OH TYR 601.A OH no hydrogen 2.673 N/A TYR 606.A N LEU 602.A O no hydrogen 2.881 N/A GLU 607.A N LEU 603.A O no hydrogen 3.002 N/A GLU 608.A N GLY 604.A O no hydrogen 3.180 N/A ALA 609.A N TYR 605.A O no hydrogen 2.790 N/A GLU 610.A N TYR 606.A O no hydrogen 2.856 N/A TRP 611.A N GLU 607.A O no hydrogen 3.018 N/A LEU 612.A N GLU 608.A O no hydrogen 2.902 N/A ALA 613.A N ALA 609.A O no hydrogen 3.082 N/A ALA 614.A N GLU 610.A O no hydrogen 3.133 N/A ALA 614.A N TRP 611.A O no hydrogen 3.178 N/A GLU 615.A N LEU 612.A O no hydrogen 3.174 N/A TYR 616.A N TRP 611.A O no hydrogen 2.893 N/A TYR 616.A OH GLU 622.A OE1 no hydrogen 3.391 N/A TYR 616.A OH GLU 622.A OE2 no hydrogen 2.583 N/A THR 619.A N GLU 622.A OE2 no hydrogen 3.297 N/A LEU 620.A N ASP 695.A OD2 no hydrogen 2.849 N/A GLU 622.A N THR 619.A OG1 no hydrogen 2.987 N/A TYR 623.A N THR 619.A O no hydrogen 2.874 N/A TYR 623.A OH ASP 678.A OD1 no hydrogen 3.126 N/A TYR 623.A OH ASP 678.A OD2 no hydrogen 2.609 N/A ILE 624.A N LEU 620.A O no hydrogen 2.902 N/A LYS 625.A N ASP 621.A O no hydrogen 3.008 N/A ASN 626.A N GLU 622.A O no hydrogen 2.961 N/A ASN 626.A ND2 GLY 604.A O no hydrogen 3.037 N/A ASN 626.A ND2 GLU 607.A OE2 no hydrogen 2.886 N/A GLY 627.A N TYR 623.A O no hydrogen 2.788 N/A ILE 628.A N ILE 624.A O no hydrogen 2.881 N/A THR 629.A N ASN 626.A O no hydrogen 2.963 N/A SER 630.A N ASN 626.A O no hydrogen 2.826 N/A SER 630.A OG ASN 626.A O no hydrogen 3.208 N/A SER 630.A OG ASN 626.A OD1 no hydrogen 2.886 N/A ILE 631.A N GLY 627.A O no hydrogen 2.944 N/A GLN 633.A NE2 SER 673.A OG no hydrogen 2.792 N/A GLN 633.A NE2 GLU 740.A OE1 no hydrogen 3.155 N/A GLN 633.A NE2 THR 744.A OG1 no hydrogen 3.363 N/A ARG 634.A NE ASP 658.A OD1 no hydrogen 2.694 N/A ARG 634.A NE ASP 658.A OD2 no hydrogen 3.471 N/A ARG 634.A NH2 ASP 658.A OD2 no hydrogen 2.959 N/A LEU 636.A N GLY 632.A O no hydrogen 3.263 N/A LEU 637.A N GLN 633.A O no hydrogen 2.887 N/A LEU 638.A N ARG 634.A O no hydrogen 3.002 N/A SER 639.A N ILE 635.A O no hydrogen 3.116 N/A SER 639.A OG ILE 635.A O no hydrogen 2.721 N/A GLY 640.A N LEU 637.A O no hydrogen 3.173 N/A VAL 641.A N LEU 637.A O no hydrogen 2.854 N/A LEU 642.A N LEU 638.A O no hydrogen 3.396 N/A ILE 643.A N GLY 640.A O no hydrogen 3.133 N/A GLY 646.A N GLU 585.A OE1 no hydrogen 2.898 N/A GLN 647.A N MET 644.A O no hydrogen 2.926 N/A GLN 647.A NE2 ASP 645.A O no hydrogen 3.225 N/A LEU 649.A N GLN 586.A OE1 no hydrogen 2.781 N/A GLN 651.A NE2 GLU 655.A OE2 no hydrogen 3.300 N/A ALA 653.A N SER 650.A OG no hydrogen 2.939 N/A LEU 654.A N SER 650.A O no hydrogen 2.824 N/A GLU 655.A N GLN 651.A O no hydrogen 2.931 N/A LYS 656.A N ALA 653.A O no hydrogen 3.063 N/A LYS 656.A NZ ASP 728.A OD1 no hydrogen 2.776 N/A LYS 656.A NZ ASP 728.A OD2 no hydrogen 3.511 N/A VAL 657.A N LEU 654.A O no hydrogen 2.915 N/A ASP 658.A N LEU 654.A O no hydrogen 2.789 N/A GLY 661.A N GLU 667.A OE2 no hydrogen 2.599 N/A ARG 662.A N TYR 659.A O no hydrogen 2.936 N/A ARG 663.A NH1 GLU 718.A OE1 no hydrogen 3.287 N/A ARG 663.A NH1 GLU 718.A OE2 no hydrogen 2.764 N/A VAL 664.A N ARG 662.A O no hydrogen 2.841 N/A THR 666.A N VAL 657.A O no hydrogen 2.931 N/A THR 666.A OG1 VAL 657.A O no hydrogen 3.381 N/A THR 666.A OG1 ASP 658.A OD1 no hydrogen 2.709 N/A GLU 667.A N VAL 664.A O no hydrogen 2.923 N/A LEU 668.A N VAL 664.A O no hydrogen 2.927 N/A ASN 669.A N LEU 665.A O no hydrogen 2.958 N/A ASN 669.A ND2 GLU 740.A OE1 no hydrogen 2.956 N/A ASN 669.A ND2 THR 741.A OG1 no hydrogen 2.795 N/A SER 670.A N THR 666.A O no hydrogen 3.111 N/A SER 670.A OG ILE 628.A O no hydrogen 3.494 N/A SER 670.A OG THR 666.A O no hydrogen 2.896 N/A LEU 671.A N GLU 667.A O no hydrogen 2.980 N/A ILE 672.A N LEU 668.A O no hydrogen 2.855 N/A SER 673.A N ASN 669.A O no hydrogen 2.830 N/A SER 673.A OG ASN 669.A O no hydrogen 2.650 N/A SER 673.A OG ASN 669.A OD1 no hydrogen 3.413 N/A ARG 674.A N SER 670.A O no hydrogen 2.933 N/A ARG 674.A NE ARG 674.A O no hydrogen 2.857 N/A LEU 675.A N LEU 671.A O no hydrogen 2.999 N/A ALA 676.A N ILE 672.A O no hydrogen 2.742 N/A ASP 677.A N SER 673.A O no hydrogen 2.928 N/A ASP 678.A N ARG 674.A O no hydrogen 3.061 N/A THR 679.A N LEU 675.A O no hydrogen 2.906 N/A THR 679.A OG1 LEU 675.A O no hydrogen 3.430 N/A THR 679.A OG1 ALA 676.A O no hydrogen 2.661 N/A LYS 680.A N ALA 676.A O no hydrogen 3.074 N/A LYS 680.A N ASP 677.A O no hydrogen 3.154 N/A LYS 680.A NZ LYS 749.A O no hydrogen 2.820 N/A LYS 680.A NZ ASP 750.A O no hydrogen 3.269 N/A THR 681.A N ASP 677.A O no hydrogen 2.905 N/A THR 681.A OG1 ASP 677.A O no hydrogen 2.592 N/A THR 681.A OG1 ASP 677.A OD1 no hydrogen 2.832 N/A TYR 682.A OH GLU 701.A OE1 no hydrogen 2.731 N/A LYS 683.A N THR 681.A O no hydrogen 2.351 N/A LYS 683.A N GLY 753.A O no hydrogen 3.107 N/A LYS 683.A NZ ASP 752.A O no hydrogen 2.909 N/A SER 688.A N ASP 678.A OD2 no hydrogen 2.951 N/A SER 688.A OG ASP 678.A OD2 no hydrogen 2.695 N/A CYS 691.A N SER 687.A O no hydrogen 2.974 N/A CYS 691.A SG PRO 618.A O no hydrogen 3.274 N/A CYS 691.A SG SER 687.A O no hydrogen 3.233 N/A TYR 692.A N SER 688.A O no hydrogen 2.996 N/A MET 693.A N ILE 689.A O no hydrogen 3.165 N/A LYS 694.A N GLU 690.A O no hydrogen 3.170 N/A LYS 694.A N CYS 691.A O no hydrogen 3.074 N/A LYS 694.A NZ VAL 617.A O no hydrogen 2.907 N/A ASP 695.A N CYS 691.A O no hydrogen 3.036 N/A HIS 696.A N TYR 692.A O no hydrogen 2.784 N/A HIS 696.A ND1 TYR 692.A O no hydrogen 3.208 N/A CYS 699.A N HIS 696.A O no hydrogen 2.818 N/A CYS 699.A SG HIS 696.A O no hydrogen 3.146 N/A CYS 699.A SG THR 700.A O no hydrogen 3.562 N/A THR 700.A N GLU 703.A OE1 no hydrogen 3.082 N/A GLU 702.A N THR 700.A OG1 no hydrogen 3.197 N/A ALA 704.A N THR 700.A O no hydrogen 2.901 N/A LEU 705.A N GLU 701.A O no hydrogen 2.879 N/A ASP 706.A N GLU 702.A O no hydrogen 3.087 N/A HIS 707.A N GLU 703.A O no hydrogen 2.938 N/A ILE 708.A N ALA 704.A O no hydrogen 3.147 N/A TYR 709.A N LEU 705.A O no hydrogen 3.151 N/A TYR 709.A OH GLY 751.A O no hydrogen 3.017 N/A SER 710.A N ASP 706.A O no hydrogen 2.990 N/A SER 710.A OG HIS 707.A O no hydrogen 2.504 N/A ILE 711.A N HIS 707.A O no hydrogen 3.239 N/A ILE 711.A N ILE 708.A O no hydrogen 3.013 N/A LEU 712.A N ILE 708.A O no hydrogen 3.020 N/A GLU 713.A N TYR 709.A O no hydrogen 2.947 N/A ALA 715.A N ILE 711.A O no hydrogen 3.433 N/A VAL 716.A N LEU 712.A O no hydrogen 2.961 N/A LYS 717.A N GLU 713.A O no hydrogen 3.246 N/A LYS 717.A NZ ASP 376.A OD1 no hydrogen 3.344 N/A GLU 718.A N PRO 714.A O no hydrogen 3.032 N/A LEU 719.A N ALA 715.A O no hydrogen 2.904 N/A THR 720.A N VAL 716.A O no hydrogen 3.069 N/A THR 720.A OG1 HIS 418.A NE2 no hydrogen 2.688 N/A THR 720.A OG1 VAL 716.A O no hydrogen 2.924 N/A ARG 721.A N LYS 717.A O no hydrogen 3.046 N/A ARG 721.A NE GLU 722.A OE2 no hydrogen 3.455 N/A ARG 721.A NH2 GLU 722.A OE2 no hydrogen 3.218 N/A GLU 722.A N GLU 718.A O no hydrogen 2.859 N/A PHE 723.A N LEU 719.A O no hydrogen 2.960 N/A LEU 724.A N THR 720.A O no hydrogen 2.970 N/A LYS 725.A N ARG 721.A O no hydrogen 2.743 N/A LYS 725.A NZ GLU 722.A OE1 no hydrogen 3.127 N/A LYS 725.A NZ GLU 722.A OE2 no hydrogen 3.287 N/A VAL 729.A N ASP 727.A OD1 no hydrogen 3.006 N/A CYS 733.A N PRO 730.A O no hydrogen 3.108 N/A CYS 733.A SG VAL 641.A O no hydrogen 3.921 N/A LYS 734.A NZ GLU 722.A O no hydrogen 2.944 N/A LYS 734.A NZ PHE 723.A O no hydrogen 3.075 N/A LYS 734.A NZ ASP 727.A OD1 no hydrogen 3.481 N/A LYS 734.A NZ ASP 727.A OD2 no hydrogen 2.657 N/A LYS 735.A N PHE 731.A O no hydrogen 2.875 N/A LYS 735.A NZ TYR 280.A OH no hydrogen 2.791 N/A MET 736.A N ALA 732.A O no hydrogen 3.018 N/A LEU 737.A N CYS 733.A O no hydrogen 3.162 N/A PHE 738.A N LYS 734.A O no hydrogen 2.907 N/A GLU 739.A N LYS 735.A O no hydrogen 2.752 N/A GLU 740.A N MET 736.A O no hydrogen 3.099 N/A THR 741.A N LEU 737.A O no hydrogen 3.245 N/A THR 741.A OG1 LEU 737.A O no hydrogen 2.834 N/A ARG 742.A N PHE 738.A O no hydrogen 2.945 N/A ARG 742.A NE TRP 417.A O no hydrogen 3.207 N/A ARG 742.A NH1 GLU 739.A OE1 no hydrogen 3.001 N/A ARG 742.A NH1 GLU 739.A OE2 no hydrogen 3.136 N/A ARG 742.A NH2 TRP 417.A O no hydrogen 2.875 N/A VAL 743.A N GLU 739.A O no hydrogen 3.094 N/A THR 744.A N GLU 740.A O no hydrogen 3.013 N/A THR 744.A OG1 GLU 740.A O no hydrogen 2.958 N/A THR 744.A OG1 GLU 740.A OE1 no hydrogen 3.501 N/A MET 745.A N THR 741.A O no hydrogen 2.844 N/A VAL 746.A N ARG 742.A O no hydrogen 3.018 N/A ILE 747.A N VAL 743.A O no hydrogen 3.151 N/A PHE 748.A N THR 744.A O no hydrogen 3.148 N/A LYS 749.A N VAL 746.A O no hydrogen 3.329 N/A PHE 754.A N ASP 752.A OD2 no hydrogen 2.755 N/A GLY 755.A N LYS 680.A O no hydrogen 2.751 N/A GLU 760.A N SER 757.A OG no hydrogen 3.274 N/A VAL 761.A N SER 757.A O no hydrogen 3.194 N/A LYS 762.A N LYS 758.A O no hydrogen 3.019 N/A ASP 763.A N LEU 759.A O no hydrogen 2.910 N/A HIS 764.A N GLU 760.A O no hydrogen 2.990 N/A ILE 765.A N VAL 761.A O no hydrogen 3.163 N/A LYS 766.A N LYS 762.A O no hydrogen 2.852 N/A GLU 767.A N ASP 763.A O no hydrogen 2.975 N/A CYS 768.A N HIS 764.A O no hydrogen 2.920 N/A LEU 769.A N ILE 765.A O no hydrogen 2.806 N/A ILE 770.A N LYS 766.A O no hydrogen 3.173 N/A GLU 771.A N LYS 766.A O no hydrogen 2.993 N/A LEU 773.A N ASN 464.A OD1 no hydrogen 2.845 N/A