Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2fsg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N ARG 1.A O no hydrogen 2.745 N/A LYS 7.A N ARG 5.A O no hydrogen 3.254 N/A ASN 10.A N ARG 6.A O no hydrogen 3.092 N/A ILE 11.A N LYS 7.A O no hydrogen 3.066 N/A ILE 12.A N VAL 8.A O no hydrogen 2.862 N/A ASN 13.A N VAL 9.A O no hydrogen 2.697 N/A ASN 13.A ND2 ASP 66.A OD1 no hydrogen 3.208 N/A ASN 13.A ND2 ASP 66.A OD2 no hydrogen 3.244 N/A ALA 14.A N ASN 10.A O no hydrogen 3.075 N/A LYS 19.A N GLU 17.A O no hydrogen 2.877 N/A SER 21.A N GLU 24.A OE2 no hydrogen 2.543 N/A SER 21.A OG GLU 24.A OE2 no hydrogen 2.993 N/A GLU 24.A N SER 21.A OG no hydrogen 3.000 N/A LEU 25.A N SER 21.A O no hydrogen 2.814 N/A LYS 26.A N ASP 22.A O no hydrogen 2.701 N/A GLY 27.A N GLU 23.A O no hydrogen 2.822 N/A LYS 28.A N GLU 24.A O no hydrogen 3.176 N/A LYS 28.A N LEU 25.A O no hydrogen 3.147 N/A LYS 28.A NZ GLU 31.A OE1 no hydrogen 3.328 N/A LYS 28.A NZ GLU 31.A OE2 no hydrogen 3.395 N/A THR 29.A N LYS 26.A O no hydrogen 3.315 N/A THR 29.A OG1 TYR 96.A OH no hydrogen 3.015 N/A THR 29.A OG1 LEU 129.A O no hydrogen 2.537 N/A GLU 31.A N GLY 27.A O no hydrogen 3.148 N/A PHE 32.A N LYS 28.A O no hydrogen 2.730 N/A ARG 33.A N THR 29.A O no hydrogen 3.163 N/A ARG 33.A NE LEU 100.A O no hydrogen 2.902 N/A ARG 33.A NH1 ALA 99.A O no hydrogen 3.016 N/A ARG 33.A NH1 ASP 151.A OD1 no hydrogen 3.013 N/A ALA 34.A N ALA 30.A O no hydrogen 3.142 N/A ARG 35.A N GLU 31.A O no hydrogen 3.063 N/A ARG 35.A NH1 GLU 31.A OE2 no hydrogen 3.245 N/A ARG 35.A NH1 GLU 48.A OE2 no hydrogen 2.933 N/A ARG 35.A NH2 GLU 48.A OE2 no hydrogen 2.905 N/A LEU 36.A N PHE 32.A O no hydrogen 2.871 N/A GLU 37.A N ARG 33.A O no hydrogen 2.773 N/A LYS 38.A N ALA 34.A O no hydrogen 2.996 N/A GLY 39.A N LEU 36.A O no hydrogen 3.039 N/A GLU 40.A N ARG 35.A O no hydrogen 3.124 N/A VAL 41.A N GLU 40.A OE2 no hydrogen 2.869 N/A ASN 44.A N VAL 41.A O no hydrogen 2.812 N/A ASN 44.A ND2 GLU 40.A OE2 no hydrogen 2.654 N/A LEU 45.A N LEU 42.A O no hydrogen 2.861 N/A ILE 46.A N GLU 43.A O no hydrogen 3.259 N/A ALA 49.A N LEU 45.A O no hydrogen 2.721 N/A PHE 50.A N ILE 46.A O no hydrogen 2.912 N/A ALA 51.A N PRO 47.A O no hydrogen 3.109 N/A VAL 52.A N GLU 48.A O no hydrogen 2.991 N/A VAL 53.A N ALA 49.A O no hydrogen 2.838 N/A ARG 54.A N PHE 50.A O no hydrogen 2.979 N/A ARG 54.A NH1 ASN 13.A OD1 no hydrogen 2.478 N/A ARG 54.A NH2 HIS 64.A O no hydrogen 2.733 N/A ARG 54.A NH2 ASP 66.A OD1 no hydrogen 3.481 N/A GLU 55.A N ALA 51.A O no hydrogen 3.168 N/A ALA 56.A N VAL 52.A O no hydrogen 2.953 N/A SER 57.A N VAL 53.A O no hydrogen 2.886 N/A LYS 58.A N ARG 54.A O no hydrogen 2.922 N/A LYS 58.A NZ GLU 15.A OE2 no hydrogen 2.967 N/A LYS 58.A NZ GLU 18.A OE2 no hydrogen 3.297 N/A LYS 58.A NZ GLU 55.A OE1 no hydrogen 2.787 N/A ARG 59.A N GLU 55.A O no hydrogen 2.961 N/A ARG 59.A NE GLU 55.A OE2 no hydrogen 3.041 N/A ARG 59.A NH1 LEU 20.A O no hydrogen 2.889 N/A ARG 59.A NH1 ASP 22.A OD1 no hydrogen 2.743 N/A ARG 59.A NH2 LEU 20.A O no hydrogen 2.697 N/A ARG 59.A NH2 GLU 55.A OE2 no hydrogen 3.338 N/A VAL 60.A N ALA 56.A O no hydrogen 2.748 N/A PHE 61.A N SER 57.A O no hydrogen 2.721 N/A GLY 62.A N SER 57.A O no hydrogen 3.085 N/A GLY 62.A N LYS 58.A O no hydrogen 3.100 N/A ARG 63.A NH1 GLU 15.A OE2 no hydrogen 3.174 N/A HIS 64.A NE2 THR 92.A OG1 no hydrogen 3.101 N/A PHE 65.A N GLN 68.A OE1 no hydrogen 2.866 N/A GLN 68.A N PHE 65.A O no hydrogen 2.900 N/A GLN 68.A NE2 GLU 85.A O no hydrogen 3.071 N/A GLN 68.A NE2 GLY 86.A O no hydrogen 3.019 N/A LEU 69.A N PHE 65.A O no hydrogen 3.186 N/A LEU 70.A N ASP 66.A O no hydrogen 3.006 N/A GLY 71.A N VAL 67.A O no hydrogen 2.779 N/A GLY 72.A N GLN 68.A O no hydrogen 3.093 N/A LEU 74.A N GLY 71.A O no hydrogen 3.106 N/A ASN 75.A ND2 GLU 43.A OE2 no hydrogen 2.753 N/A GLU 76.A N VAL 73.A O no hydrogen 3.034 N/A ARG 77.A NE TYR 241.A O no hydrogen 3.153 N/A ARG 77.A NH2 TYR 241.A O no hydrogen 3.077 N/A CYS 78.A SG ILE 79.A O no hydrogen 3.688 N/A ILE 79.A N ASP 244.A O no hydrogen 2.739 N/A ALA 80.A N GLY 226.A O no hydrogen 2.811 N/A GLU 81.A N VAL 246.A O no hydrogen 2.836 N/A GLU 85.A N ARG 82.A O no hydrogen 3.145 N/A THR 90.A N GLY 86.A O no hydrogen 2.869 N/A THR 90.A OG1 GLY 86.A O no hydrogen 2.670 N/A ALA 91.A N LYS 87.A O no hydrogen 3.036 N/A THR 92.A N LEU 89.A O no hydrogen 3.012 N/A THR 92.A OG1 LEU 89.A O no hydrogen 2.421 N/A LEU 93.A N THR 90.A O no hydrogen 3.038 N/A ALA 95.A N ALA 91.A O no hydrogen 3.291 N/A TYR 96.A N THR 92.A O no hydrogen 3.094 N/A TYR 96.A OH THR 29.A OG1 no hydrogen 3.015 N/A LEU 97.A N LEU 93.A O no hydrogen 3.099 N/A ASN 98.A N PRO 94.A O no hydrogen 2.924 N/A ASN 98.A ND2 ASN 75.A OD1 no hydrogen 2.824 N/A ASN 98.A ND2 PRO 94.A O no hydrogen 3.055 N/A ALA 99.A N TYR 96.A O no hydrogen 3.141 N/A LEU 100.A N LEU 97.A O no hydrogen 3.222 N/A GLY 102.A N ALA 99.A O no hydrogen 3.106 N/A HIS 106.A N TYR 182.A O no hydrogen 2.839 N/A HIS 106.A ND1 TYR 221.A OH no hydrogen 2.575 N/A VAL 107.A N THR 153.A O no hydrogen 2.954 N/A VAL 108.A N LEU 184.A O no hydrogen 2.783 N/A THR 109.A N GLY 155.A O no hydrogen 2.922 N/A THR 109.A OG1 ASN 111.A O no hydrogen 2.707 N/A LEU 114.A N ASN 111.A OD1 no hydrogen 2.910 N/A ALA 115.A N ASN 111.A O no hydrogen 3.315 N/A GLN 116.A N ASP 112.A O no hydrogen 3.199 N/A ARG 117.A N TYR 113.A O no hydrogen 2.808 N/A ARG 117.A NE ASP 118.A OD1 no hydrogen 3.084 N/A ARG 117.A NH2 ASP 118.A OD1 no hydrogen 3.164 N/A ASP 118.A N LEU 114.A O no hydrogen 2.990 N/A ALA 119.A N ALA 115.A O no hydrogen 2.943 N/A GLU 120.A N GLN 116.A O no hydrogen 2.980 N/A ASN 121.A N ARG 117.A O no hydrogen 2.837 N/A ASN 122.A N ASP 118.A O no hydrogen 3.014 N/A ASN 122.A ND2 TYR 154.A OH no hydrogen 2.791 N/A ARG 123.A N ALA 119.A O no hydrogen 2.825 N/A ARG 123.A NE GLU 120.A OE1 no hydrogen 2.985 N/A ARG 123.A NE GLU 120.A OE2 no hydrogen 3.226 N/A ARG 123.A NH1 VAL 133.A O no hydrogen 3.026 N/A ARG 123.A NH2 GLU 120.A OE2 no hydrogen 2.905 N/A PHE 126.A N ASN 122.A O no hydrogen 3.032 N/A GLU 127.A N ARG 123.A O no hydrogen 2.710 N/A PHE 128.A N PRO 124.A O no hydrogen 2.857 N/A LEU 129.A N PHE 126.A O no hydrogen 3.147 N/A GLY 130.A N GLU 127.A O no hydrogen 3.031 N/A LEU 131.A N PHE 126.A O no hydrogen 2.887 N/A THR 132.A N ASP 151.A OD2 no hydrogen 2.954 N/A THR 132.A OG1 ASP 151.A OD2 no hydrogen 3.489 N/A GLY 134.A N ILE 152.A O no hydrogen 2.796 N/A ASN 136.A N TYR 154.A O no hydrogen 2.976 N/A ASN 136.A ND2 ASP 163.A OD2 no hydrogen 2.975 N/A LYS 144.A N PRO 140.A O no hydrogen 2.810 N/A LYS 144.A NZ ASN 136.A OD1 no hydrogen 2.979 N/A LYS 144.A NZ LEU 137.A O no hydrogen 3.281 N/A LYS 144.A NZ GLU 159.A OE2 no hydrogen 2.596 N/A LYS 144.A NZ ASP 163.A OD1 no hydrogen 3.326 N/A LYS 144.A NZ ASP 163.A OD2 no hydrogen 3.446 N/A ARG 145.A N ALA 141.A O no hydrogen 2.823 N/A ARG 145.A NE ARG 175.A O no hydrogen 2.976 N/A ARG 145.A NH2 GLU 174.A O no hydrogen 2.948 N/A GLU 146.A N PRO 142.A O no hydrogen 2.963 N/A ALA 147.A N ALA 143.A O no hydrogen 2.902 N/A TYR 148.A N LYS 144.A O no hydrogen 2.804 N/A TYR 148.A OH ASP 163.A OD2 no hydrogen 2.600 N/A ALA 149.A N GLU 146.A O no hydrogen 3.082 N/A ALA 150.A N ALA 147.A O no hydrogen 3.320 N/A ASP 151.A N THR 132.A OG1 no hydrogen 3.119 N/A ILE 152.A N THR 132.A O no hydrogen 3.251 N/A THR 153.A N VAL 105.A O no hydrogen 2.765 N/A THR 153.A OG1 ALA 147.A O no hydrogen 2.687 N/A TYR 154.A N GLY 134.A O no hydrogen 2.972 N/A GLY 155.A N VAL 107.A O no hydrogen 3.250 N/A GLU 159.A N THR 156.A OG1 no hydrogen 3.243 N/A TYR 160.A N THR 156.A O no hydrogen 3.121 N/A TYR 160.A OH VAL 107.A O no hydrogen 3.152 N/A GLY 161.A N ASN 157.A O no hydrogen 3.002 N/A PHE 162.A N ASN 158.A O no hydrogen 2.930 N/A ASP 163.A N GLU 159.A O no hydrogen 2.980 N/A TYR 164.A N TYR 160.A O no hydrogen 3.132 N/A TYR 164.A N GLY 161.A O no hydrogen 3.047 N/A LEU 165.A N GLY 161.A O no hydrogen 3.289 N/A ARG 166.A N PHE 162.A O no hydrogen 3.022 N/A ARG 166.A NH2 GLU 159.A OE2 no hydrogen 3.038 N/A ARG 166.A NH2 ASP 163.A OD1 no hydrogen 2.676 N/A ASP 167.A N ASP 163.A O no hydrogen 2.785 N/A ASN 168.A N TYR 164.A O no hydrogen 3.067 N/A ASN 168.A ND2 TYR 164.A O no hydrogen 2.679 N/A PHE 170.A N GLU 174.A OE1 no hydrogen 3.401 N/A SER 171.A OG GLU 173.A OE2 no hydrogen 2.686 N/A GLU 174.A N SER 171.A O no hydrogen 3.226 N/A ARG 175.A N PRO 172.A O no hydrogen 3.142 N/A ARG 175.A NH1 ASP 496.A OD1 no hydrogen 2.782 N/A ARG 175.A NH2 ASN 492.A OD1 no hydrogen 2.964 N/A ARG 175.A NH2 ASP 496.A OD1 no hydrogen 3.318 N/A VAL 176.A N ASP 167.A OD1 no hydrogen 2.859 N/A GLN 177.A N ASP 167.A OD2 no hydrogen 2.922 N/A GLN 177.A NE2 TYR 148.A OH no hydrogen 3.252 N/A GLN 177.A NE2 TYR 217.A OH no hydrogen 3.028 N/A ARG 178.A NE TYR 148.A O no hydrogen 2.934 N/A ARG 178.A NH1 GLY 102.A O no hydrogen 3.007 N/A ARG 178.A NH2 TYR 148.A O no hydrogen 3.093 N/A HIS 181.A ND1 GLY 104.A O no hydrogen 2.727 N/A TYR 182.A OH LEU 74.A O no hydrogen 2.680 N/A ALA 183.A N LYS 223.A O no hydrogen 3.141 N/A LEU 184.A N HIS 106.A O no hydrogen 2.883 N/A VAL 185.A N ALA 225.A O no hydrogen 2.921 N/A ASP 186.A N VAL 108.A O no hydrogen 2.849 N/A SER 190.A OG GLU 187.A O no hydrogen 3.519 N/A SER 190.A OG GLU 187.A OE2 no hydrogen 3.380 N/A ILE 191.A N GLU 187.A O no hydrogen 3.017 N/A LEU 192.A N VAL 188.A O no hydrogen 2.854 N/A ILE 193.A N VAL 188.A O no hydrogen 3.167 N/A ASP 194.A N ASP 189.A O no hydrogen 2.932 N/A GLU 195.A N SER 190.A O no hydrogen 3.128 N/A ALA 196.A N ILE 193.A O no hydrogen 2.912 N/A ARG 197.A NE ASP 477.A OD2 no hydrogen 2.945 N/A ARG 197.A NH2 ASP 477.A OD1 no hydrogen 3.014 N/A THR 198.A N GLU 195.A O no hydrogen 3.114 N/A THR 198.A OG1 GLU 195.A O no hydrogen 3.406 N/A THR 198.A OG1 GLU 195.A OE2 no hydrogen 2.997 N/A LEU 200.A N ILE 212.A O no hydrogen 2.841 N/A ILE 202.A N ALA 210.A O no hydrogen 3.119 N/A GLY 204.A N GLN 207.A O no hydrogen 3.017 N/A GLN 207.A N GLY 204.A O no hydrogen 3.060 N/A LEU 209.A N ILE 202.A O no hydrogen 2.747 N/A ALA 210.A N ILE 202.A O no hydrogen 3.305 N/A SER 211.A OG LEU 200.A O no hydrogen 3.208 N/A ILE 212.A N LEU 200.A O no hydrogen 3.055 N/A PHE 214.A N THR 198.A O no hydrogen 3.282 N/A GLN 215.A N ALA 196.A O no hydrogen 2.698 N/A GLN 215.A NE2 ILE 240.A O no hydrogen 3.068 N/A ASN 216.A N THR 213.A OG1 no hydrogen 3.222 N/A TYR 217.A N THR 213.A O no hydrogen 2.900 N/A TYR 217.A OH TYR 221.A OH no hydrogen 2.695 N/A PHE 218.A N PHE 214.A O no hydrogen 3.119 N/A ARG 219.A N GLN 215.A O no hydrogen 3.015 N/A ARG 219.A NE ASN 216.A OD1 no hydrogen 3.037 N/A ARG 219.A NH1 ASN 216.A OD1 no hydrogen 2.564 N/A ARG 219.A NH1 ASP 478.A OD1 no hydrogen 3.063 N/A LEU 220.A N TYR 217.A O no hydrogen 2.966 N/A TYR 221.A N PHE 218.A O no hydrogen 3.277 N/A TYR 221.A OH HIS 106.A ND1 no hydrogen 2.575 N/A TYR 221.A OH TYR 217.A OH no hydrogen 2.695 N/A GLU 222.A N LEU 180.A O no hydrogen 3.196 N/A LYS 223.A N HIS 181.A O no hydrogen 2.895 N/A LYS 223.A NZ ASN 75.A O no hydrogen 3.143 N/A LYS 223.A NZ ASN 75.A OD1 no hydrogen 2.791 N/A LYS 223.A NZ ASN 98.A OD1 no hydrogen 2.660 N/A ALA 225.A N ALA 183.A O no hydrogen 3.109 N/A GLY 226.A N CYS 78.A O no hydrogen 3.206 N/A THR 227.A OG1 ASP 189.A OD1 no hydrogen 3.252 N/A THR 227.A OG1 ASP 189.A OD2 no hydrogen 3.220 N/A ASP 231.A N THR 229.A O no hydrogen 2.579 N/A THR 232.A OG1 ASP 231.A O no hydrogen 3.201 N/A GLU 236.A N GLU 233.A O no hydrogen 3.058 N/A PHE 237.A N ALA 234.A O no hydrogen 3.166 N/A SER 238.A N ALA 234.A O no hydrogen 3.416 N/A SER 239.A N PHE 235.A O no hydrogen 3.316 N/A ILE 240.A N GLU 236.A O no hydrogen 2.882 N/A TYR 241.A N PHE 237.A O no hydrogen 2.863 N/A TYR 241.A OH LEU 192.A O no hydrogen 2.674 N/A LYS 242.A N SER 238.A O no hydrogen 2.745 N/A LYS 242.A NZ SER 238.A O no hydrogen 2.630 N/A LYS 242.A NZ SER 239.A O no hydrogen 3.409 N/A LEU 243.A N PHE 237.A O no hydrogen 3.305 N/A ASP 244.A N ARG 77.A O no hydrogen 3.101 N/A VAL 246.A N ILE 79.A O no hydrogen 2.733 N/A VAL 248.A N GLU 81.A O no hydrogen 2.625 N/A THR 250.A OG1 ARG 252.A O no hydrogen 2.522 N/A ASN 251.A N GLU 85.A OE1 no hydrogen 2.992 N/A ARG 252.A NE GLN 411.A O no hydrogen 3.154 N/A ARG 252.A NH2 GLN 411.A O no hydrogen 3.226 N/A ARG 255.A NE ASP 257.A OD1 no hydrogen 2.784 N/A ARG 255.A NE ASP 257.A OD2 no hydrogen 3.340 N/A ARG 255.A NH1 SER 408.A O no hydrogen 3.056 N/A ARG 255.A NH2 ASP 257.A OD2 no hydrogen 3.098 N/A LYS 256.A N GLY 415.A O no hydrogen 2.898 N/A LEU 258.A N SER 417.A O no hydrogen 2.785 N/A ASP 260.A N THR 452.A OG1 no hydrogen 2.955 N/A LEU 261.A N PHE 419.A O no hydrogen 2.962 N/A TYR 263.A N LEU 421.A O no hydrogen 2.848 N/A GLU 265.A N GLU 423.A OE2 no hydrogen 2.927 N/A GLU 267.A N THR 264.A OG1 no hydrogen 3.206 N/A LYS 268.A N THR 264.A O no hydrogen 2.930 N/A LYS 268.A NZ THR 392.A O no hydrogen 2.604 N/A LYS 268.A NZ GLU 393.A OE2 no hydrogen 3.248 N/A LYS 268.A NZ ASP 424.A OD1 no hydrogen 3.078 N/A LYS 268.A NZ ASP 424.A OD2 no hydrogen 2.830 N/A ILE 269.A N GLU 265.A O no hydrogen 2.994 N/A GLN 270.A N ALA 266.A O no hydrogen 3.046 N/A ALA 271.A N GLU 267.A O no hydrogen 3.092 N/A ILE 272.A N LYS 268.A O no hydrogen 2.735 N/A ILE 273.A N ILE 269.A O no hydrogen 2.777 N/A GLU 274.A N GLN 270.A O no hydrogen 3.026 N/A GLU 274.A N ALA 271.A O no hydrogen 3.259 N/A ASP 275.A N ALA 271.A O no hydrogen 3.121 N/A ILE 276.A N ILE 272.A O no hydrogen 2.963 N/A LYS 277.A N ILE 273.A O no hydrogen 2.844 N/A GLU 278.A N GLU 274.A O no hydrogen 3.138 N/A ARG 279.A N ASP 275.A O no hydrogen 2.953 N/A ARG 279.A NE ASP 275.A OD1 no hydrogen 2.810 N/A ARG 279.A NH1 GLN 284.A OE1 no hydrogen 3.157 N/A THR 280.A N ILE 276.A O no hydrogen 2.688 N/A THR 280.A OG1 ILE 276.A O no hydrogen 2.947 N/A THR 280.A OG1 LYS 277.A O no hydrogen 3.318 N/A ALA 281.A N LYS 277.A O no hydrogen 3.091 N/A GLY 283.A N THR 280.A O no hydrogen 3.041 N/A GLN 284.A N ARG 279.A O no hydrogen 3.241 N/A GLN 284.A NE2 GLY 386.A O no hydrogen 3.085 N/A VAL 286.A N ALA 333.A O no hydrogen 2.715 N/A LEU 287.A N HIS 388.A O no hydrogen 2.974 N/A VAL 288.A N THR 335.A O no hydrogen 2.798 N/A GLY 289.A N ILE 390.A O no hydrogen 2.658 N/A THR 290.A N ALA 337.A O no hydrogen 3.031 N/A THR 290.A OG1 SER 292.A O no hydrogen 2.980 N/A THR 290.A OG1 SER 296.A OG no hydrogen 2.634 N/A ILE 291.A N GLU 393.A OE1 no hydrogen 3.344 N/A SER 292.A OG GLU 294.A OE1 no hydrogen 2.769 N/A GLU 294.A N GLU 294.A OE1 no hydrogen 2.296 N/A LYS 295.A N SER 292.A OG no hydrogen 3.294 N/A SER 296.A N SER 292.A O no hydrogen 2.792 N/A SER 296.A OG THR 290.A OG1 no hydrogen 2.634 N/A SER 296.A OG SER 292.A O no hydrogen 3.142 N/A SER 296.A OG THR 338.A OG1 no hydrogen 2.614 N/A GLU 297.A N ILE 293.A O no hydrogen 2.848 N/A LEU 298.A N GLU 294.A O no hydrogen 3.103 N/A VAL 299.A N LYS 295.A O no hydrogen 3.107 N/A SER 300.A N SER 296.A O no hydrogen 2.529 N/A SER 300.A OG HIS 310.A NE2 no hydrogen 2.798 N/A ASN 301.A N GLU 297.A O no hydrogen 2.659 N/A GLU 302.A N LEU 298.A O no hydrogen 3.111 N/A LEU 303.A N VAL 299.A O no hydrogen 3.001 N/A THR 304.A N SER 300.A O no hydrogen 2.896 N/A THR 304.A OG1 SER 300.A O no hydrogen 3.268 N/A LYS 305.A N ASN 301.A O no hydrogen 2.770 N/A ALA 306.A N GLU 302.A O no hydrogen 2.997 N/A GLY 307.A N THR 304.A O no hydrogen 2.918 N/A ILE 308.A N LEU 303.A O no hydrogen 2.873 N/A HIS 310.A ND1 ILE 308.A O no hydrogen 2.687 N/A HIS 310.A NE2 SER 300.A OG no hydrogen 2.798 N/A ASN 311.A N VAL 334.A O no hydrogen 2.928 N/A LEU 313.A N ILE 336.A O no hydrogen 2.740 N/A LYS 316.A N ASN 314.A OD1 no hydrogen 3.092 N/A PHE 317.A N ASN 314.A O no hydrogen 2.496 N/A GLU 321.A N PHE 317.A O no hydrogen 2.922 N/A ALA 322.A N HIS 318.A O no hydrogen 2.930 N/A ALA 323.A N ALA 319.A O no hydrogen 3.141 N/A ILE 324.A N ASN 320.A O no hydrogen 2.825 N/A VAL 325.A N GLU 321.A O no hydrogen 2.916 N/A ALA 326.A N ALA 322.A O no hydrogen 2.990 N/A GLN 327.A N ILE 324.A O no hydrogen 3.175 N/A GLN 327.A NE2 SER 351.A O no hydrogen 3.098 N/A ALA 328.A N VAL 325.A O no hydrogen 3.221 N/A TYR 330.A N GLN 327.A O no hydrogen 3.091 N/A ALA 332.A N GLY 283.A O no hydrogen 2.996 N/A ALA 333.A N TYR 330.A O no hydrogen 3.065 N/A THR 335.A N VAL 286.A O no hydrogen 3.021 N/A ILE 336.A N ASN 311.A O no hydrogen 2.920 N/A ALA 337.A N VAL 288.A O no hydrogen 2.917 N/A THR 338.A OG1 SER 296.A OG no hydrogen 2.614 N/A ASN 339.A N THR 290.A O no hydrogen 2.899 N/A ASN 339.A ND2 ILE 291.A O no hydrogen 2.523 N/A GLY 343.A N GLY 341.A O no hydrogen 2.607 N/A GLY 349.A N GLY 329.A O no hydrogen 2.905 N/A GLY 350.A N VAL 347.A O no hydrogen 3.169 N/A SER 351.A N ALA 326.A O no hydrogen 3.253 N/A SER 351.A OG ALA 326.A O no hydrogen 3.279 N/A GLU 355.A N TRP 352.A O no hydrogen 2.910 N/A VAL 356.A N TRP 352.A O no hydrogen 3.029 N/A ALA 357.A N GLN 353.A O no hydrogen 2.697 N/A ALA 358.A N GLU 355.A O no hydrogen 3.068 N/A LEU 359.A N VAL 356.A O no hydrogen 2.992 N/A THR 363.A OG1 THR 363.A O no hydrogen 2.433 N/A GLN 366.A N THR 363.A O no hydrogen 2.493 N/A GLN 366.A NE2 ASN 361.A O no hydrogen 3.048 N/A GLU 368.A N ALA 364.A O no hydrogen 3.047 N/A LYS 369.A NZ ASP 373.A OD1 no hydrogen 3.178 N/A LYS 369.A NZ ASP 373.A OD2 no hydrogen 3.049 N/A ILE 370.A N GLN 366.A O no hydrogen 3.229 N/A LYS 371.A N ILE 367.A O no hydrogen 2.542 N/A ALA 372.A N GLU 368.A O no hydrogen 2.794 N/A ASP 373.A N LYS 369.A O no hydrogen 3.017 N/A TRP 374.A N ILE 370.A O no hydrogen 2.864 N/A TRP 374.A NE1 GLY 350.A O no hydrogen 2.930 N/A GLN 375.A N LYS 371.A O no hydrogen 3.018 N/A GLN 375.A NE2 GLN 375.A O no hydrogen 3.193 N/A GLN 375.A NE2 ASP 379.A OD2 no hydrogen 3.046 N/A VAL 376.A N ALA 372.A O no hydrogen 3.395 N/A ARG 377.A N TRP 374.A O no hydrogen 2.768 N/A ARG 377.A NE GLY 349.A O no hydrogen 2.789 N/A HIS 378.A N TRP 374.A O no hydrogen 2.811 N/A HIS 378.A ND1 ASP 379.A OD1 no hydrogen 2.934 N/A ASP 379.A N GLN 375.A O no hydrogen 3.047 N/A ALA 380.A N VAL 376.A O no hydrogen 3.071 N/A VAL 381.A N ARG 377.A O no hydrogen 2.958 N/A LEU 382.A N HIS 378.A O no hydrogen 3.035 N/A GLU 383.A N ASP 379.A O no hydrogen 2.953 N/A ALA 384.A N ALA 380.A O no hydrogen 3.081 N/A GLY 385.A N LEU 382.A O no hydrogen 2.972 N/A GLY 386.A N VAL 381.A O no hydrogen 2.759 N/A HIS 388.A N PRO 285.A O no hydrogen 3.143 N/A HIS 388.A ND1 SER 416.A OG no hydrogen 2.967 N/A HIS 388.A NE2 ASP 275.A OD2 no hydrogen 2.879 N/A ILE 389.A N SER 416.A O no hydrogen 2.713 N/A ILE 390.A N LEU 287.A O no hydrogen 2.862 N/A GLY 391.A N ARG 418.A O no hydrogen 2.955 N/A THR 392.A N GLY 289.A O no hydrogen 2.747 N/A THR 392.A OG1 GLY 289.A O no hydrogen 3.344 N/A THR 392.A OG1 GLU 393.A OE1 no hydrogen 2.412 N/A ARG 394.A NE ASP 260.A OD2 no hydrogen 2.932 N/A ARG 394.A NH1 ASP 401.A OD2 no hydrogen 2.824 N/A ARG 394.A NH2 ASP 260.A OD1 no hydrogen 2.914 N/A ARG 394.A NH2 ASP 260.A OD2 no hydrogen 3.291 N/A HIS 395.A N ASP 401.A OD1 no hydrogen 2.926 N/A HIS 395.A NE2 ASN 339.A OD1 no hydrogen 2.824 N/A ARG 398.A NH1 GLN 459.A OE1 no hydrogen 2.725 N/A ASN 402.A N ARG 398.A O no hydrogen 2.859 N/A ASN 402.A ND2 ALA 230.A O no hydrogen 3.386 N/A GLN 403.A N ARG 399.A O no hydrogen 3.128 N/A LEU 404.A N ILE 400.A O no hydrogen 3.192 N/A ARG 405.A N ASP 401.A O no hydrogen 2.902 N/A GLY 406.A N ASN 402.A O no hydrogen 2.918 N/A ARG 407.A N LEU 404.A O no hydrogen 3.038 N/A ARG 407.A NH2 GLN 403.A O no hydrogen 2.905 N/A SER 408.A N ARG 405.A O no hydrogen 3.030 N/A SER 408.A OG LEU 387.A O no hydrogen 2.503 N/A ARG 410.A NE GLY 406.A O no hydrogen 3.070 N/A ARG 410.A NH1 ARG 342.A O no hydrogen 3.523 N/A ARG 410.A NH1 ASP 345.A OD1 no hydrogen 2.744 N/A ARG 410.A NH2 ARG 342.A O no hydrogen 2.683 N/A GLN 411.A NE2 THR 83.A O no hydrogen 2.906 N/A GLN 411.A NE2 GLU 85.A OE2 no hydrogen 2.953 N/A ASP 413.A N ARG 410.A O no hydrogen 2.980 N/A SER 416.A N LEU 387.A O no hydrogen 3.083 N/A SER 416.A OG HIS 388.A ND1 no hydrogen 2.967 N/A SER 417.A N LYS 256.A O no hydrogen 2.915 N/A SER 417.A OG ASP 257.A OD1 no hydrogen 2.493 N/A ARG 418.A N ILE 389.A O no hydrogen 3.013 N/A ARG 418.A NH1 GLU 447.A OE2 no hydrogen 3.291 N/A ARG 418.A NH2 PRO 259.A O no hydrogen 2.779 N/A ARG 418.A NH2 GLU 447.A OE2 no hydrogen 2.803 N/A TYR 420.A N GLY 391.A O no hydrogen 2.842 N/A TYR 420.A OH ASP 275.A OD2 no hydrogen 3.103 N/A LEU 421.A N LEU 261.A O no hydrogen 2.827 N/A SER 422.A OG ASP 424.A OD2 no hydrogen 2.673 N/A ASP 424.A N SER 422.A O no hydrogen 3.104 N/A ASP 424.A N SER 422.A OG no hydrogen 3.081 N/A ILE 428.A N LEU 426.A O no hydrogen 2.938 N/A ALA 430.A N ARG 427.A O no hydrogen 3.050 N/A VAL 434.A N SER 431.A OG no hydrogen 3.217 N/A GLY 436.A N ASP 432.A O no hydrogen 2.684 N/A GLY 440.A N ARG 437.A O no hydrogen 3.015 N/A VAL 451.A N HIS 448.A O no hydrogen 3.006 N/A LYS 453.A N PRO 449.A O no hydrogen 3.327 N/A ALA 454.A N TRP 450.A O no hydrogen 2.754 N/A ILE 455.A N VAL 451.A O no hydrogen 2.995 N/A ALA 456.A N THR 452.A O no hydrogen 3.058 N/A ASN 457.A N LYS 453.A O no hydrogen 2.745 N/A ALA 458.A N ALA 454.A O no hydrogen 3.046 N/A GLN 459.A N ILE 455.A O no hydrogen 3.048 N/A GLN 459.A NE2 HIS 395.A O no hydrogen 2.836 N/A GLN 459.A NE2 ASP 401.A OD2 no hydrogen 2.951 N/A ARG 460.A N ALA 456.A O no hydrogen 2.965 N/A LYS 461.A N ASN 457.A O no hydrogen 2.825 N/A VAL 462.A N ALA 458.A O no hydrogen 3.076 N/A VAL 462.A N GLN 459.A O no hydrogen 3.204 N/A GLU 463.A N GLN 459.A O no hydrogen 3.275 N/A SER 464.A N ARG 460.A O no hydrogen 3.149 N/A ARG 465.A N LYS 461.A O no hydrogen 2.926 N/A ASN 466.A N VAL 462.A O no hydrogen 3.009 N/A PHE 467.A N GLU 463.A O no hydrogen 2.747 N/A ASP 468.A N SER 464.A O no hydrogen 2.737 N/A ILE 469.A N ARG 465.A O no hydrogen 3.163 N/A ARG 470.A N ASN 466.A O no hydrogen 3.114 N/A ARG 470.A NH1 ILE 193.A O no hydrogen 3.342 N/A ARG 470.A NH2 ILE 193.A O no hydrogen 2.807 N/A LYS 471.A N PHE 467.A O no hydrogen 2.749 N/A GLN 472.A N ASP 468.A O no hydrogen 3.351 N/A LEU 473.A N ILE 469.A O no hydrogen 3.212 N/A LEU 474.A N ARG 470.A O no hydrogen 2.964 N/A GLU 475.A N LYS 471.A O no hydrogen 2.984 N/A ASP 477.A N LEU 473.A O no hydrogen 3.131 N/A ASP 478.A N LEU 474.A O no hydrogen 3.073 N/A VAL 479.A N TYR 476.A O no hydrogen 3.086 N/A ASN 481.A N ASP 477.A O no hydrogen 2.820 N/A ASP 482.A N ASP 478.A O no hydrogen 3.120 N/A GLN 483.A N VAL 479.A O no hydrogen 3.331 N/A ARG 484.A N ALA 480.A O no hydrogen 2.939 N/A ARG 484.A NH1 ASN 481.A OD1 no hydrogen 2.888 N/A ARG 484.A NH2 ASN 481.A OD1 no hydrogen 3.532 N/A ARG 485.A N ASN 481.A O no hydrogen 2.808 N/A ALA 486.A N ASP 482.A O no hydrogen 2.972 N/A ILE 487.A N GLN 483.A O no hydrogen 2.924 N/A TYR 488.A N ARG 484.A O no hydrogen 2.778 N/A SER 489.A N ARG 485.A O no hydrogen 2.969 N/A GLN 490.A N ALA 486.A O no hydrogen 3.148 N/A ARG 491.A N ILE 487.A O no hydrogen 3.096 N/A ARG 491.A NE ASP 596.A OD1 no hydrogen 2.845 N/A ARG 491.A NH1 ALA 169.A O no hydrogen 2.868 N/A ARG 491.A NH2 ALA 169.A O no hydrogen 2.876 N/A ARG 491.A NH2 ASP 596.A OD2 no hydrogen 2.980 N/A ASN 492.A N TYR 488.A O no hydrogen 2.842 N/A ASN 492.A ND2 ASN 168.A OD1 no hydrogen 2.803 N/A GLU 493.A N SER 489.A O no hydrogen 3.045 N/A LEU 494.A N GLN 490.A O no hydrogen 3.089 N/A LEU 495.A N ARG 491.A O no hydrogen 2.817 N/A ASP 496.A N ASN 492.A O no hydrogen 2.975 N/A VAL 497.A N LEU 494.A O no hydrogen 3.305 N/A SER 501.A N ASP 499.A OD1 no hydrogen 3.097 N/A SER 501.A OG ASP 499.A OD1 no hydrogen 3.234 N/A SER 501.A OG GLU 588.A OE1 no hydrogen 3.513 N/A ILE 504.A N VAL 500.A O no hydrogen 2.868 N/A ASN 505.A N SER 501.A O no hydrogen 2.969 N/A SER 506.A N GLU 502.A O no hydrogen 2.990 N/A ILE 507.A N THR 503.A O no hydrogen 2.735 N/A ARG 508.A N ILE 504.A O no hydrogen 2.768 N/A GLU 509.A N ASN 505.A O no hydrogen 3.216 N/A ASP 510.A N SER 506.A O no hydrogen 3.384 N/A VAL 511.A N ILE 507.A O no hydrogen 2.842 N/A PHE 512.A N ARG 508.A O no hydrogen 2.965 N/A LYS 513.A N GLU 509.A O no hydrogen 2.894 N/A LYS 513.A NZ ASP 517.A OD1 no hydrogen 3.034 N/A LYS 513.A NZ ASP 517.A OD2 no hydrogen 2.877 N/A ALA 514.A N ASP 510.A O no hydrogen 3.043 N/A THR 515.A N VAL 511.A O no hydrogen 2.873 N/A THR 515.A OG1 VAL 511.A O no hydrogen 2.601 N/A ILE 516.A N PHE 512.A O no hydrogen 2.737 N/A ASP 517.A N LYS 513.A O no hydrogen 2.670 N/A ALA 518.A N ALA 514.A O no hydrogen 3.297 N/A ALA 518.A N THR 515.A O no hydrogen 3.285 N/A TYR 519.A N ILE 516.A O no hydrogen 2.751 N/A ILE 520.A N ILE 516.A O no hydrogen 2.828 N/A GLN 523.A N GLU 559.A OE1 no hydrogen 2.774 N/A SER 524.A N PRO 521.A O no hydrogen 3.106 N/A SER 524.A OG PRO 521.A O no hydrogen 2.485 N/A TRP 528.A NE1 SER 524.A O no hydrogen 3.135 N/A ASP 529.A N TYR 519.A O no hydrogen 2.825 N/A GLY 532.A N ASP 529.A OD1 no hydrogen 3.043 N/A LEU 533.A N ASP 529.A O no hydrogen 3.112 N/A GLN 534.A N ILE 530.A O no hydrogen 2.970 N/A GLU 535.A N PRO 531.A O no hydrogen 3.407 N/A ARG 536.A N GLY 532.A O no hydrogen 3.115 N/A LEU 537.A N LEU 533.A O no hydrogen 2.992 N/A LYS 538.A N GLN 534.A O no hydrogen 3.181 N/A LYS 538.A NZ GLU 535.A OE2 no hydrogen 3.032 N/A ASN 539.A N GLU 535.A O no hydrogen 2.617 N/A ASP 540.A N ARG 536.A O no hydrogen 2.953 N/A PHE 541.A N LEU 537.A O no hydrogen 2.813 N/A LEU 543.A N LEU 537.A O no hydrogen 3.054 N/A ALA 548.A N GLN 534.A OE1 no hydrogen 3.012 N/A TRP 550.A N PRO 546.A O no hydrogen 3.004 N/A LEU 551.A N ILE 547.A O no hydrogen 2.980 N/A ASP 552.A N ALA 548.A O no hydrogen 3.155 N/A LYS 553.A N GLU 549.A O no hydrogen 3.125 N/A LYS 553.A N TRP 550.A O no hydrogen 2.854 N/A GLU 554.A N TRP 550.A O no hydrogen 2.920 N/A LEU 557.A N GLU 554.A O no hydrogen 3.108 N/A THR 561.A OG1 HIS 558.A NE2 no hydrogen 2.097 N/A LEU 562.A N HIS 558.A O no hydrogen 3.033 N/A ARG 563.A N GLU 559.A O no hydrogen 2.851 N/A ARG 563.A NE GLU 559.A OE2 no hydrogen 2.810 N/A ARG 563.A NH1 LYS 513.A O no hydrogen 3.557 N/A ARG 563.A NH2 ASP 517.A OD1 no hydrogen 2.635 N/A ARG 563.A NH2 GLU 559.A OE2 no hydrogen 3.116 N/A GLU 564.A N GLU 560.A O no hydrogen 3.050 N/A ARG 565.A N THR 561.A O no hydrogen 3.180 N/A ARG 565.A NH1 GLU 554.A OE2 no hydrogen 3.326 N/A ARG 565.A NH2 GLU 554.A OE1 no hydrogen 3.399 N/A ILE 566.A N LEU 562.A O no hydrogen 3.180 N/A LEU 567.A N ARG 563.A O no hydrogen 3.141 N/A ALA 568.A N GLU 564.A O no hydrogen 2.835 N/A GLN 569.A N ARG 565.A O no hydrogen 2.796 N/A SER 570.A N ILE 566.A O no hydrogen 3.174 N/A SER 570.A OG LEU 567.A O no hydrogen 2.771 N/A ILE 571.A N LEU 567.A O no hydrogen 2.928 N/A GLU 572.A N ALA 568.A O no hydrogen 2.903 N/A VAL 573.A N GLN 569.A O no hydrogen 2.990 N/A TYR 574.A N SER 570.A O no hydrogen 3.118 N/A TYR 574.A OH GLU 588.A OE2 no hydrogen 2.238 N/A GLN 575.A N ILE 571.A O no hydrogen 2.616 N/A ARG 576.A N GLU 572.A O no hydrogen 3.156 N/A LYS 577.A N VAL 573.A O no hydrogen 3.364 N/A LYS 577.A NZ SER 648.A O no hydrogen 2.978 N/A LYS 577.A NZ VAL 650.A O no hydrogen 2.670 N/A GLU 578.A N TYR 574.A O no hydrogen 3.060 N/A GLU 579.A N GLN 575.A O no hydrogen 3.014 N/A VAL 580.A N ARG 576.A O no hydrogen 3.429 N/A VAL 581.A N LYS 577.A O no hydrogen 2.881 N/A GLY 582.A N GLU 578.A O no hydrogen 2.813 N/A ARG 585.A NE GLU 588.A OE1 no hydrogen 3.167 N/A ARG 585.A NH1 GLU 578.A OE1 no hydrogen 2.677 N/A ARG 585.A NH2 GLU 578.A OE1 no hydrogen 3.346 N/A ARG 585.A NH2 GLU 578.A OE2 no hydrogen 3.068 N/A ARG 585.A NH2 GLU 588.A OE2 no hydrogen 3.035 N/A HIS 586.A N GLU 584.A O no hydrogen 3.125 N/A LYS 589.A N ARG 585.A O no hydrogen 3.082 N/A LYS 589.A NZ LEU 495.A O no hydrogen 2.862 N/A LYS 589.A NZ VAL 497.A O no hydrogen 3.271 N/A GLY 590.A N HIS 586.A O no hydrogen 3.059 N/A VAL 591.A N PHE 587.A O no hydrogen 2.889 N/A GLN 593.A N GLY 590.A O no hydrogen 2.930 N/A THR 594.A N VAL 591.A O no hydrogen 2.932 N/A THR 594.A OG1 VAL 591.A O no hydrogen 2.386 N/A ASP 596.A N LEU 592.A O no hydrogen 2.993 N/A SER 597.A N GLN 593.A O no hydrogen 3.040 N/A SER 597.A OG GLN 593.A O no hydrogen 3.399 N/A LEU 598.A N THR 594.A O no hydrogen 2.930 N/A TRP 599.A N LEU 595.A O no hydrogen 2.942 N/A LYS 600.A N ASP 596.A O no hydrogen 3.109 N/A GLU 601.A N SER 597.A O no hydrogen 3.057 N/A HIS 602.A N LEU 598.A O no hydrogen 2.711 N/A HIS 602.A NE2 GLN 483.A OE1 no hydrogen 2.637 N/A LEU 603.A N TRP 599.A O no hydrogen 2.750 N/A ALA 604.A N LYS 600.A O no hydrogen 3.221 N/A ALA 605.A N GLU 601.A O no hydrogen 3.177 N/A TYR 607.A N ALA 604.A O no hydrogen 3.045 N/A LEU 608.A N ALA 605.A O no hydrogen 3.057 N/A ARG 609.A NH1 ASP 477.A OD1 no hydrogen 2.721 N/A ARG 609.A NH2 LEU 473.A O no hydrogen 2.933 N/A ARG 609.A NH2 ASP 477.A OD1 no hydrogen 3.098 N/A GLN 610.A N ASP 606.A O no hydrogen 3.198 N/A GLY 611.A N TYR 607.A O no hydrogen 3.246 N/A ILE 612.A N ARG 609.A O no hydrogen 3.011 N/A LYS 623.A NZ GLU 475.A OE2 no hydrogen 3.138 N/A LYS 627.A NZ GLU 475.A OE2 no hydrogen 2.675 N/A ARG 628.A N GLN 624.A O no hydrogen 2.784 N/A GLU 629.A N GLU 625.A O no hydrogen 2.674 N/A SER 630.A N TYR 626.A O no hydrogen 2.707 N/A SER 630.A OG TYR 626.A O no hydrogen 2.564 N/A PHE 631.A N LYS 627.A O no hydrogen 2.952 N/A SER 632.A N ARG 628.A O no hydrogen 3.097 N/A SER 632.A OG ARG 628.A O no hydrogen 3.199 N/A ALA 634.A N PHE 631.A O no hydrogen 2.922 N/A ALA 635.A N SER 632.A O no hydrogen 3.036 N/A SER 638.A N ALA 635.A O no hydrogen 2.817 N/A LYS 640.A N LEU 636.A O no hydrogen 3.223 N/A LYS 640.A NZ ASP 510.A OD2 no hydrogen 2.843 N/A LYS 640.A NZ GLU 637.A OE1 no hydrogen 2.749 N/A TYR 641.A N GLU 637.A O no hydrogen 3.050 N/A TYR 641.A OH ASP 540.A OD1 no hydrogen 2.442 N/A GLU 642.A N SER 638.A O no hydrogen 3.112 N/A VAL 643.A N LEU 639.A O no hydrogen 3.161 N/A ILE 644.A N LYS 640.A O no hydrogen 3.166 N/A SER 645.A N TYR 641.A O no hydrogen 2.731 N/A SER 645.A OG ASP 540.A O no hydrogen 2.513 N/A THR 646.A N GLU 642.A O no hydrogen 2.817 N/A THR 646.A OG1 GLU 642.A O no hydrogen 3.095 N/A LEU 647.A N VAL 643.A O no hydrogen 2.995 N/A SER 648.A N ILE 644.A O no hydrogen 2.857 N/A SER 648.A OG ILE 644.A O no hydrogen 2.637 N/A LYS 649.A N SER 645.A O no hydrogen 3.014 N/A LYS 649.A NZ ASN 539.A O no hydrogen 3.100 N/A GLN 651.A NE2 LYS 649.A O no hydrogen 2.681 N/A