Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2vsy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 6.A N ASP 2.A O no hydrogen 2.793 N/A LEU 7.A N PHE 3.A O no hydrogen 3.247 N/A MET 8.A N VAL 4.A O no hydrogen 2.956 N/A LEU 9.A N ALA 5.A O no hydrogen 3.052 N/A ALA 10.A N TRP 6.A O no hydrogen 2.737 N/A ASP 11.A N LEU 7.A O no hydrogen 2.641 N/A ALA 12.A N MET 8.A O no hydrogen 2.913 N/A GLU 13.A N LEU 9.A O no hydrogen 2.842 N/A LEU 14.A N ALA 10.A O no hydrogen 2.993 N/A GLY 15.A N ASP 11.A O no hydrogen 2.816 N/A MET 16.A N ALA 12.A O no hydrogen 3.225 N/A GLY 17.A N GLU 13.A O no hydrogen 3.230 N/A ASP 18.A N GLU 13.A O no hydrogen 2.911 N/A THR 19.A OG1 ASP 18.A OD1 no hydrogen 3.226 N/A THR 20.A N THR 19.A OG1 no hydrogen 2.293 N/A ALA 21.A N ASP 18.A OD1 no hydrogen 3.410 N/A MET 24.A N THR 20.A O no hydrogen 2.870 N/A ALA 25.A N ALA 21.A O no hydrogen 2.876 N/A VAL 26.A N GLY 22.A O no hydrogen 3.030 N/A GLN 27.A N GLU 23.A O no hydrogen 2.747 N/A GLN 27.A NE2 GLU 23.A O no hydrogen 3.266 N/A ARG 28.A N MET 24.A O no hydrogen 3.224 N/A GLY 29.A N VAL 26.A O no hydrogen 2.739 N/A LEU 30.A N VAL 26.A O no hydrogen 3.115 N/A LEU 32.A N GLY 29.A O no hydrogen 2.826 N/A HIS 33.A N GLY 29.A O no hydrogen 2.840 N/A HIS 36.A N HIS 33.A O no hydrogen 3.184 N/A GLU 38.A N GLU 38.A OE2 no hydrogen 2.432 N/A VAL 40.A N HIS 36.A O no hydrogen 2.882 N/A ALA 41.A N PRO 37.A O no hydrogen 2.669 N/A ARG 42.A N GLU 38.A O no hydrogen 2.859 N/A ARG 42.A NE ASP 11.A OD2 no hydrogen 3.374 N/A ARG 42.A NH1 GLU 38.A O no hydrogen 3.035 N/A ARG 42.A NH2 ASP 11.A OD2 no hydrogen 3.534 N/A LEU 43.A N ALA 39.A O no hydrogen 2.735 N/A GLY 44.A N VAL 40.A O no hydrogen 3.136 N/A GLY 44.A N ALA 41.A O no hydrogen 2.918 N/A ARG 45.A N ALA 41.A O no hydrogen 3.075 N/A ARG 45.A NH1 HIS 79.A ND1 no hydrogen 3.277 N/A VAL 46.A N ARG 42.A O no hydrogen 2.911 N/A ARG 47.A N LEU 43.A O no hydrogen 3.300 N/A ARG 47.A NH1 GLU 23.A OE1 no hydrogen 3.014 N/A ARG 47.A NH2 GLU 23.A OE2 no hydrogen 3.232 N/A TRP 48.A N GLY 44.A O no hydrogen 2.837 N/A TRP 48.A NE1 ASP 83.A OD2 no hydrogen 2.859 N/A THR 49.A N ARG 45.A O no hydrogen 2.874 N/A THR 49.A OG1 ARG 45.A O no hydrogen 2.455 N/A GLN 50.A N VAL 46.A O no hydrogen 2.560 N/A GLN 51.A N TRP 48.A O no hydrogen 2.859 N/A ARG 52.A N ARG 47.A O no hydrogen 2.703 N/A ARG 52.A NE GLU 55.A OE1 no hydrogen 2.811 N/A ARG 52.A NH1 GLU 55.A OE2 no hydrogen 3.427 N/A ARG 52.A NH2 GLN 50.A OE1 no hydrogen 2.643 N/A ALA 56.A N ARG 52.A O no hydrogen 2.801 N/A ALA 57.A N HIS 53.A O no hydrogen 2.743 N/A VAL 58.A N ALA 54.A O no hydrogen 2.985 N/A LEU 59.A N GLU 55.A O no hydrogen 3.052 N/A LEU 60.A N ALA 56.A O no hydrogen 3.192 N/A GLN 61.A N ALA 57.A O no hydrogen 2.991 N/A GLN 62.A N VAL 58.A O no hydrogen 3.198 N/A ALA 63.A N LEU 59.A O no hydrogen 2.963 N/A SER 64.A N LEU 60.A O no hydrogen 2.758 N/A ASP 65.A N GLN 61.A O no hydrogen 2.848 N/A ALA 66.A N GLN 62.A O no hydrogen 3.033 N/A ALA 67.A N ALA 63.A O no hydrogen 2.895 N/A ILE 73.A N HIS 70.A ND1 no hydrogen 2.792 N/A ALA 74.A N HIS 70.A O no hydrogen 3.143 N/A LEU 75.A N PRO 71.A O no hydrogen 2.963 N/A TRP 76.A N GLY 72.A O no hydrogen 2.923 N/A LEU 77.A N ILE 73.A O no hydrogen 2.916 N/A GLY 78.A N ALA 74.A O no hydrogen 3.187 N/A HIS 79.A N LEU 75.A O no hydrogen 3.019 N/A ALA 80.A N TRP 76.A O no hydrogen 3.172 N/A LEU 81.A N LEU 77.A O no hydrogen 2.971 N/A GLU 82.A N GLY 78.A O no hydrogen 2.964 N/A ASP 83.A N HIS 79.A O no hydrogen 3.252 N/A ALA 84.A N ALA 80.A O no hydrogen 2.729 N/A GLY 85.A N GLU 82.A O no hydrogen 3.144 N/A GLN 86.A N LEU 81.A O no hydrogen 2.794 N/A ALA 90.A N GLN 86.A O no hydrogen 2.876 N/A ALA 91.A N ALA 87.A O no hydrogen 3.057 N/A ALA 92.A N GLU 88.A O no hydrogen 3.162 N/A ALA 93.A N ALA 89.A O no hydrogen 3.152 N/A TYR 94.A N ALA 90.A O no hydrogen 2.984 N/A TYR 94.A OH GLU 82.A OE1 no hydrogen 2.864 N/A THR 95.A N ALA 91.A O no hydrogen 2.928 N/A THR 95.A OG1 ALA 91.A O no hydrogen 2.856 N/A ARG 96.A N ALA 92.A O no hydrogen 3.130 N/A ARG 96.A N ALA 93.A O no hydrogen 3.094 N/A ARG 96.A NH1 PRO 68.A O no hydrogen 2.898 N/A ARG 96.A NH2 SER 64.A OG no hydrogen 2.985 N/A ALA 97.A N ALA 93.A O no hydrogen 2.969 N/A HIS 98.A N TYR 94.A O no hydrogen 2.938 N/A GLN 99.A N THR 95.A O no hydrogen 3.024 N/A LEU 100.A N ARG 96.A O no hydrogen 3.066 N/A LEU 101.A N ALA 97.A O no hydrogen 2.821 N/A GLU 104.A N LEU 101.A O no hydrogen 3.064 N/A TYR 106.A N GLU 104.A OE1 no hydrogen 3.151 N/A ILE 107.A N GLU 104.A OE2 no hydrogen 3.173 N/A THR 108.A N GLU 104.A O no hydrogen 3.149 N/A THR 108.A OG1 HIS 98.A ND1 no hydrogen 3.286 N/A THR 108.A OG1 GLU 104.A O no hydrogen 3.103 N/A ALA 109.A N PRO 105.A O no hydrogen 2.839 N/A GLN 110.A N TYR 106.A O no hydrogen 3.086 N/A LEU 111.A N ILE 107.A O no hydrogen 2.967 N/A LEU 112.A N THR 108.A O no hydrogen 3.049 N/A ASN 113.A N ALA 109.A O no hydrogen 3.098 N/A TRP 114.A N GLN 110.A O no hydrogen 3.008 N/A TRP 114.A NE1 ALA 87.A O no hydrogen 2.934 N/A ARG 115.A N LEU 111.A O no hydrogen 2.744 N/A ARG 115.A NH2 THR 95.A OG1 no hydrogen 3.161 N/A ARG 116.A N LEU 112.A O no hydrogen 2.946 N/A ARG 116.A NE GLU 150.A OE2 no hydrogen 2.733 N/A ARG 116.A NH2 GLU 150.A OE1 no hydrogen 2.896 N/A ARG 116.A NH2 GLU 150.A OE2 no hydrogen 3.339 N/A ARG 117.A N ASN 113.A O no hydrogen 3.110 N/A LEU 118.A N TRP 114.A O no hydrogen 2.989 N/A CYS 119.A N ARG 116.A O no hydrogen 3.163 N/A CYS 119.A SG SER 366.A O no hydrogen 3.978 N/A ASP 120.A N ARG 115.A O no hydrogen 2.906 N/A ARG 122.A N ASP 120.A OD1 no hydrogen 3.414 N/A ARG 122.A NE ASP 120.A OD1 no hydrogen 2.893 N/A ARG 122.A NE ASP 120.A OD2 no hydrogen 3.407 N/A ARG 122.A NH1 ASP 120.A OD2 no hydrogen 2.877 N/A LEU 124.A N TRP 121.A O no hydrogen 3.174 N/A LEU 127.A N ALA 123.A O no hydrogen 2.980 N/A SER 128.A N LEU 124.A O no hydrogen 2.977 N/A SER 128.A OG GLU 150.A OE1 no hydrogen 2.527 N/A ALA 129.A N ASP 125.A O no hydrogen 3.026 N/A GLN 130.A N VAL 126.A O no hydrogen 3.196 N/A VAL 131.A N LEU 127.A O no hydrogen 3.032 N/A ARG 132.A N SER 128.A O no hydrogen 3.005 N/A ARG 132.A NE GLU 156.A OE1 no hydrogen 2.801 N/A ALA 133.A N ALA 129.A O no hydrogen 2.928 N/A ALA 134.A N GLN 130.A O no hydrogen 3.022 N/A VAL 135.A N VAL 131.A O no hydrogen 3.099 N/A ALA 136.A N ARG 132.A O no hydrogen 3.130 N/A GLN 137.A N ALA 133.A O no hydrogen 2.842 N/A GLN 137.A N ALA 134.A O no hydrogen 3.121 N/A GLY 138.A N VAL 135.A O no hydrogen 2.836 N/A PHE 147.A N GLU 143.A O no hydrogen 2.908 N/A LEU 148.A N PRO 144.A O no hydrogen 3.273 N/A LEU 148.A N PHE 145.A O no hydrogen 3.202 N/A SER 149.A N ALA 146.A O no hydrogen 3.249 N/A GLU 150.A N PHE 147.A O no hydrogen 2.943 N/A ALA 154.A N GLU 465.A OE1 no hydrogen 2.776 N/A ALA 155.A N SER 153.A OG no hydrogen 3.152 N/A GLU 156.A N SER 153.A OG no hydrogen 3.347 N/A GLN 157.A N SER 153.A O no hydrogen 3.157 N/A LEU 158.A N ALA 154.A O no hydrogen 3.012 N/A ALA 159.A N ALA 155.A O no hydrogen 3.033 N/A CYS 160.A N GLU 156.A O no hydrogen 2.924 N/A CYS 160.A SG VAL 142.A O no hydrogen 3.765 N/A ALA 161.A N GLN 157.A O no hydrogen 3.027 N/A ARG 162.A N LEU 158.A O no hydrogen 2.960 N/A ARG 162.A NH2 GLN 166.A OE1 no hydrogen 2.857 N/A THR 163.A N ALA 159.A O no hydrogen 3.059 N/A THR 163.A OG1 ALA 159.A O no hydrogen 3.110 N/A THR 163.A OG1 CYS 160.A O no hydrogen 3.047 N/A ARG 164.A N CYS 160.A O no hydrogen 3.130 N/A ARG 164.A NE GLY 140.A O no hydrogen 2.798 N/A ARG 164.A NH1 GLU 143.A OE1 no hydrogen 2.815 N/A ARG 164.A NH2 GLY 140.A O no hydrogen 3.092 N/A ALA 165.A N ALA 161.A O no hydrogen 2.819 N/A GLN 166.A N ARG 162.A O no hydrogen 2.877 N/A ALA 167.A N THR 163.A O no hydrogen 3.233 N/A ILE 168.A N ARG 164.A O no hydrogen 3.242 N/A ALA 169.A N ALA 165.A O no hydrogen 2.874 N/A ALA 170.A N GLN 166.A O no hydrogen 3.145 N/A SER 171.A N ILE 168.A O no hydrogen 2.788 N/A SER 171.A OG ILE 168.A O no hydrogen 3.094 N/A VAL 172.A N ALA 169.A O no hydrogen 3.201 N/A LEU 175.A N LEU 283.A O no hydrogen 2.938 N/A ARG 179.A N THR 178.A OG1 no hydrogen 2.813 N/A ARG 179.A NH1 VAL 180.A O no hydrogen 2.782 N/A ARG 181.A N ASP 264.A OD1 no hydrogen 2.976 N/A ARG 181.A NE ASP 264.A OD2 no hydrogen 2.662 N/A ARG 181.A NH2 GLY 262.A O no hydrogen 2.916 N/A LYS 183.A NZ LEU 546.A O no hydrogen 2.519 N/A LEU 186.A N ASP 217.A O no hydrogen 3.015 N/A ARG 187.A N ASP 264.A OD2 no hydrogen 2.985 N/A VAL 188.A N GLN 219.A O no hydrogen 3.046 N/A GLY 189.A N LEU 265.A O no hydrogen 2.796 N/A PHE 190.A N HIS 221.A O no hydrogen 3.009 N/A VAL 191.A N PHE 267.A O no hydrogen 2.899 N/A SER 192.A N PHE 223.A O no hydrogen 3.086 N/A SER 192.A OG LEU 269.A O no hydrogen 2.848 N/A ASN 193.A ND2 ARG 270.A O no hydrogen 3.266 N/A GLY 194.A N SER 192.A OG no hydrogen 2.933 N/A ALA 197.A N ASP 229.A OD2 no hydrogen 2.907 N/A HIS 198.A N GLY 196.A O no hydrogen 2.761 N/A THR 200.A OG1 HIS 198.A NE2 no hydrogen 3.237 N/A GLY 201.A N GLY 194.A O no hydrogen 2.853 N/A LEU 202.A N HIS 198.A O no hydrogen 2.986 N/A LEU 203.A N PRO 199.A O no hydrogen 2.850 N/A THR 204.A N THR 200.A O no hydrogen 3.081 N/A THR 204.A OG1 THR 200.A O no hydrogen 3.007 N/A VAL 205.A N GLY 201.A O no hydrogen 2.997 N/A PHE 208.A N THR 204.A O no hydrogen 3.066 N/A GLU 209.A N VAL 205.A O no hydrogen 3.249 N/A ALA 210.A N ALA 206.A O no hydrogen 2.982 N/A LEU 211.A N LEU 207.A O no hydrogen 2.789 N/A GLN 212.A N PHE 208.A O no hydrogen 3.017 N/A GLN 212.A NE2 GLN 239.A O no hydrogen 3.070 N/A ARG 213.A N GLU 209.A O no hydrogen 3.394 N/A ARG 213.A NH1 ASP 526.A OD1 no hydrogen 2.760 N/A ARG 214.A N ALA 210.A O no hydrogen 2.912 N/A ARG 214.A N LEU 211.A O no hydrogen 3.140 N/A ARG 214.A NE ASP 530.A OD1 no hydrogen 3.063 N/A ARG 214.A NH2 ASP 530.A OD2 no hydrogen 3.102 N/A GLN 215.A N LEU 211.A O no hydrogen 2.708 N/A LEU 218.A N GLN 215.A O no hydrogen 3.251 N/A GLN 219.A N LEU 186.A O no hydrogen 2.892 N/A HIS 221.A N VAL 188.A O no hydrogen 2.856 N/A HIS 221.A ND1 HIS 244.A NE2 no hydrogen 2.844 N/A HIS 221.A NE2 GLN 219.A OE1 no hydrogen 3.237 N/A LEU 222.A N THR 242.A O no hydrogen 2.873 N/A PHE 223.A N PHE 190.A O no hydrogen 2.762 N/A ALA 224.A N HIS 244.A O no hydrogen 2.894 N/A THR 225.A N SER 192.A O no hydrogen 2.956 N/A THR 225.A OG1 SER 192.A O no hydrogen 3.193 N/A SER 226.A OG ASN 193.A O no hydrogen 3.211 N/A GLY 230.A N ASP 228.A OD1 no hydrogen 2.753 N/A SER 231.A N ASP 229.A OD1 no hydrogen 2.875 N/A SER 231.A OG ASP 229.A OD1 no hydrogen 2.716 N/A ARG 234.A N SER 231.A OG no hydrogen 3.131 N/A ARG 234.A NH1 PHE 195.A O no hydrogen 3.091 N/A ARG 234.A NH1 SER 226.A O no hydrogen 2.835 N/A ARG 234.A NH2 SER 226.A O no hydrogen 2.925 N/A THR 235.A N SER 231.A O no hydrogen 3.322 N/A THR 235.A OG1 SER 231.A O no hydrogen 3.462 N/A ARG 236.A N THR 232.A O no hydrogen 2.851 N/A ARG 236.A NE GLU 209.A OE2 no hydrogen 2.940 N/A ARG 236.A NH1 ASP 337.A OD2 no hydrogen 2.907 N/A ARG 236.A NH2 GLU 209.A OE1 no hydrogen 2.756 N/A ARG 236.A NH2 ASP 337.A OD1 no hydrogen 3.057 N/A LEU 237.A N LEU 233.A O no hydrogen 2.954 N/A ALA 238.A N ARG 234.A O no hydrogen 3.047 N/A GLN 239.A N THR 235.A O no hydrogen 3.026 N/A ALA 240.A N ARG 236.A O no hydrogen 3.038 N/A ALA 240.A N LEU 237.A O no hydrogen 3.310 N/A SER 241.A OG LEU 237.A O no hydrogen 2.691 N/A THR 242.A N MET 220.A O no hydrogen 3.063 N/A HIS 244.A N LEU 222.A O no hydrogen 2.790 N/A HIS 244.A NE2 HIS 221.A ND1 no hydrogen 2.844 N/A VAL 246.A N ALA 224.A O no hydrogen 3.084 N/A THR 247.A N ASP 245.A OD1 no hydrogen 2.911 N/A THR 247.A OG1 ALA 224.A O no hydrogen 3.269 N/A THR 247.A OG1 ASP 245.A OD1 no hydrogen 3.355 N/A LEU 249.A N VAL 246.A O no hydrogen 3.490 N/A THR 254.A N GLY 250.A O no hydrogen 3.003 N/A THR 254.A OG1 GLY 250.A O no hydrogen 2.624 N/A ALA 255.A N HIS 251.A O no hydrogen 2.892 N/A LYS 256.A N LEU 252.A O no hydrogen 2.831 N/A HIS 257.A N ALA 253.A O no hydrogen 2.941 N/A ILE 258.A N THR 254.A O no hydrogen 2.959 N/A ARG 259.A N ALA 255.A O no hydrogen 2.920 N/A ARG 259.A NE PRO 285.A O no hydrogen 2.967 N/A ARG 259.A NH1 ALA 176.A O no hydrogen 2.688 N/A ARG 259.A NH2 ALA 176.A O no hydrogen 2.773 N/A ARG 259.A NH2 ARG 284.A O no hydrogen 3.160 N/A HIS 260.A N LYS 256.A O no hydrogen 2.744 N/A HIS 261.A N HIS 257.A O no hydrogen 3.143 N/A HIS 261.A ND1 HIS 257.A O no hydrogen 2.942 N/A GLY 262.A N ARG 259.A O no hydrogen 3.054 N/A ILE 263.A N ILE 258.A O no hydrogen 3.457 N/A ASP 264.A N ARG 187.A O no hydrogen 2.782 N/A LEU 265.A N ARG 187.A O no hydrogen 3.229 N/A LEU 266.A N VAL 288.A O no hydrogen 2.962 N/A PHE 267.A N GLY 189.A O no hydrogen 2.790 N/A ASP 268.A N VAL 290.A O no hydrogen 2.822 N/A LEU 269.A N VAL 191.A O no hydrogen 3.033 N/A ARG 270.A N ASP 268.A OD1 no hydrogen 2.835 N/A ARG 270.A NE ASP 268.A OD1 no hydrogen 3.242 N/A ARG 270.A NE ASP 268.A OD2 no hydrogen 3.181 N/A ARG 270.A NH1 GLY 275.A O no hydrogen 3.148 N/A ARG 270.A NH2 ASP 268.A OD2 no hydrogen 3.113 N/A ARG 270.A NH2 GLY 275.A O no hydrogen 3.284 N/A GLY 275.A N TRP 272.A O no hydrogen 2.973 N/A PHE 281.A N PRO 278.A O no hydrogen 2.954 N/A ALA 282.A N PRO 278.A O no hydrogen 3.057 N/A LEU 283.A N GLU 279.A O no hydrogen 3.060 N/A ARG 284.A N PHE 281.A O no hydrogen 2.763 N/A ARG 284.A NH1 PRO 287.A O no hydrogen 2.927 N/A ARG 284.A NH2 TRP 303.A O no hydrogen 2.872 N/A ARG 284.A NH2 ASP 305.A OD1 no hydrogen 3.474 N/A ARG 284.A NH2 ASP 305.A OD2 no hydrogen 2.862 N/A ALA 286.A N GLN 289.A OE1 no hydrogen 3.259 N/A GLN 289.A N ASP 305.A OD2 no hydrogen 2.805 N/A GLN 289.A NE2 PHE 281.A O no hydrogen 2.981 N/A GLN 289.A NE2 TRP 303.A O no hydrogen 3.180 N/A VAL 290.A N LEU 266.A O no hydrogen 2.888 N/A ASN 291.A N TYR 306.A O no hydrogen 2.872 N/A ASN 291.A ND2 GLY 297.A O no hydrogen 2.997 N/A ASN 291.A ND2 GLU 324.A OE2 no hydrogen 3.019 N/A TRP 292.A NE1 PHE 333.A O no hydrogen 2.935 N/A ALA 294.A N TRP 292.A O no hydrogen 2.808 N/A GLY 297.A N TYR 295.A O no hydrogen 3.079 N/A THR 298.A OG1 GLU 324.A OE1 no hydrogen 2.670 N/A THR 298.A OG1 GLU 324.A OE2 no hydrogen 3.487 N/A SER 299.A N GLU 324.A OE2 no hydrogen 2.705 N/A SER 299.A OG GLU 324.A OE2 no hydrogen 2.730 N/A GLY 300.A N THR 298.A OG1 no hydrogen 3.113 N/A ALA 301.A N SER 299.A OG no hydrogen 3.286 N/A MET 304.A N ALA 301.A O no hydrogen 3.175 N/A ASP 305.A N GLN 289.A O no hydrogen 2.867 N/A TYR 306.A N GLN 289.A O no hydrogen 3.259 N/A TYR 306.A OH HIS 543.A NE2 no hydrogen 2.797 N/A VAL 307.A N HIS 325.A O no hydrogen 3.011 N/A LEU 308.A N ASN 291.A O no hydrogen 2.865 N/A GLY 309.A N LEU 327.A O no hydrogen 2.942 N/A ALA 313.A N ASP 310.A OD1 no hydrogen 2.554 N/A LEU 314.A N ASP 310.A O no hydrogen 3.052 N/A LEU 318.A N PRO 315.A O no hydrogen 2.731 N/A PHE 321.A N LEU 318.A O no hydrogen 3.037 N/A TYR 322.A N GLU 319.A O no hydrogen 2.988 N/A SER 323.A N THR 298.A OG1 no hydrogen 3.178 N/A SER 323.A OG THR 298.A OG1 no hydrogen 3.190 N/A SER 323.A OG GLU 324.A OE1 no hydrogen 3.556 N/A GLU 324.A N GLU 324.A OE1 no hydrogen 2.783 N/A HIS 325.A N ASP 305.A O no hydrogen 2.931 N/A LEU 327.A N VAL 307.A O no hydrogen 3.033 N/A ARG 328.A NE LEU 314.A O no hydrogen 2.838 N/A ARG 328.A NH2 LEU 314.A O no hydrogen 2.929 N/A LEU 329.A N GLY 309.A O no hydrogen 3.054 N/A GLN 330.A N ASP 531.A OD1 no hydrogen 2.706 N/A PHE 333.A N ASP 310.A OD2 no hydrogen 2.985 N/A SER 339.A N ASP 337.A OD1 no hydrogen 3.029 N/A SER 339.A OG ASP 337.A OD1 no hydrogen 2.563 N/A SER 339.A OG ASP 337.A OD2 no hydrogen 3.504 N/A ARG 340.A N ASP 337.A O no hydrogen 3.272 N/A ARG 340.A NE ASP 337.A O no hydrogen 2.968 N/A ARG 340.A NH1 HIS 424.A NE2 no hydrogen 2.930 N/A ARG 340.A NH1 ASP 451.A OD1 no hydrogen 2.618 N/A ARG 340.A NH2 ASP 451.A OD1 no hydrogen 3.371 N/A ARG 348.A NE PRO 354.A O no hydrogen 3.264 N/A ARG 348.A NH1 GLU 355.A O no hydrogen 3.428 N/A THR 349.A N GLU 355.A OE2 no hydrogen 2.917 N/A THR 349.A OG1 GLU 355.A OE2 no hydrogen 2.499 N/A GLN 350.A N SER 347.A OG no hydrogen 3.249 N/A CYS 351.A N SER 347.A O no hydrogen 3.044 N/A CYS 351.A N ARG 348.A O no hydrogen 2.885 N/A CYS 351.A SG PRO 346.A O no hydrogen 3.795 N/A CYS 351.A SG SER 347.A O no hydrogen 3.364 N/A GLY 352.A N THR 349.A O no hydrogen 2.977 N/A LEU 353.A N ARG 348.A O no hydrogen 2.935 N/A VAL 359.A N ASP 435.A OD2 no hydrogen 2.739 N/A LEU 360.A N VAL 388.A O no hydrogen 3.031 N/A CYS 361.A N LEU 436.A O no hydrogen 2.837 N/A CYS 362.A N TRP 390.A O no hydrogen 2.970 N/A CYS 362.A SG LEU 438.A O no hydrogen 3.368 N/A ASN 365.A N ASN 364.A OD1 no hydrogen 3.242 N/A SER 366.A OG ARG 117.A O no hydrogen 2.787 N/A LYS 368.A N ASN 365.A O no hydrogen 2.985 N/A LYS 368.A NZ ASN 364.A OD1 no hydrogen 3.510 N/A LYS 368.A NZ ASN 444.A O no hydrogen 2.814 N/A LEU 369.A N SER 366.A O no hydrogen 3.010 N/A ASN 370.A ND2 HIS 441.A O no hydrogen 3.030 N/A SER 373.A N ASN 370.A OD1 no hydrogen 2.986 N/A SER 373.A OG ASN 370.A OD1 no hydrogen 2.737 N/A MET 374.A N ASN 370.A O no hydrogen 2.924 N/A ALA 375.A N PRO 371.A O no hydrogen 2.815 N/A ARG 376.A N GLN 372.A O no hydrogen 3.300 N/A ARG 376.A NH1 THR 462.A OG1 no hydrogen 3.145 N/A ARG 376.A NH1 ASP 489.A OD1 no hydrogen 2.805 N/A ARG 376.A NH2 ASP 439.A O no hydrogen 2.981 N/A MET 377.A N SER 373.A O no hydrogen 3.167 N/A LEU 378.A N MET 374.A O no hydrogen 2.897 N/A ALA 379.A N ALA 375.A O no hydrogen 2.944 N/A VAL 380.A N ARG 376.A O no hydrogen 3.444 N/A LEU 381.A N MET 377.A O no hydrogen 3.293 N/A ARG 382.A N LEU 378.A O no hydrogen 3.072 N/A ARG 382.A NH2 GLN 409.A O no hydrogen 2.804 N/A GLU 383.A N ALA 379.A O no hydrogen 3.435 N/A VAL 384.A N VAL 380.A O no hydrogen 3.051 N/A SER 387.A N VAL 384.A O no hydrogen 3.218 N/A SER 387.A OG VAL 384.A O no hydrogen 2.850 N/A VAL 388.A N VAL 358.A O no hydrogen 2.944 N/A LEU 389.A N ARG 415.A O no hydrogen 2.963 N/A TRP 390.A N LEU 360.A O no hydrogen 2.745 N/A LEU 391.A N VAL 417.A O no hydrogen 2.759 N/A SER 393.A N MET 419.A O no hydrogen 2.828 N/A SER 393.A OG ASP 399.A OD2 no hydrogen 2.598 N/A GLY 394.A N ASP 399.A OD1 no hydrogen 2.709 N/A GLU 397.A N GLU 88.A OE2 no hydrogen 2.745 N/A ALA 398.A N PRO 395.A O no hydrogen 3.106 N/A ARG 401.A N GLU 397.A O no hydrogen 3.048 N/A ARG 401.A NH1 GLU 88.A OE1 no hydrogen 2.845 N/A ARG 401.A NH1 GLU 88.A OE2 no hydrogen 3.302 N/A ARG 401.A NH2 GLU 88.A OE2 no hydrogen 2.789 N/A ARG 401.A NH2 LEU 118.A O no hydrogen 3.069 N/A LEU 402.A N ALA 398.A O no hydrogen 3.049 N/A ARG 403.A N ASP 399.A O no hydrogen 2.937 N/A ALA 404.A N ALA 400.A O no hydrogen 3.125 N/A PHE 405.A N ARG 401.A O no hydrogen 3.055 N/A ALA 406.A N LEU 402.A O no hydrogen 2.877 N/A HIS 407.A N ARG 403.A O no hydrogen 2.974 N/A ALA 408.A N ALA 404.A O no hydrogen 2.904 N/A GLN 409.A N PHE 405.A O no hydrogen 2.974 N/A GLN 409.A N ALA 406.A O no hydrogen 3.056 N/A GLY 410.A N HIS 407.A O no hydrogen 3.218 N/A VAL 411.A N ALA 406.A O no hydrogen 2.911 N/A GLN 414.A N ASP 412.A OD1 no hydrogen 3.398 N/A GLN 414.A NE2 ASP 412.A OD1 no hydrogen 3.214 N/A ARG 415.A N ASP 412.A O no hydrogen 2.924 N/A ARG 415.A NE SER 387.A O no hydrogen 3.047 N/A ARG 415.A NH1 LEU 381.A O no hydrogen 3.068 N/A ARG 415.A NH2 LEU 381.A O no hydrogen 2.932 N/A ARG 415.A NH2 SER 387.A O no hydrogen 2.783 N/A LEU 416.A N ALA 413.A O no hydrogen 3.086 N/A VAL 417.A N LEU 389.A O no hydrogen 2.918 N/A MET 419.A N LEU 391.A O no hydrogen 2.694 N/A TYR 427.A N PRO 423.A O no hydrogen 2.957 N/A TYR 427.A OH TYR 431.A OH no hydrogen 2.597 N/A TYR 427.A OH ASP 451.A OD2 no hydrogen 2.581 N/A LEU 428.A N HIS 424.A O no hydrogen 2.842 N/A ALA 429.A N PRO 425.A O no hydrogen 3.349 N/A ARG 430.A N TYR 427.A O no hydrogen 3.097 N/A TYR 431.A N LEU 428.A O no hydrogen 3.369 N/A TYR 431.A OH TYR 427.A OH no hydrogen 2.597 N/A ARG 432.A N ALA 429.A O no hydrogen 3.146 N/A ARG 432.A NE ALA 343.A O no hydrogen 3.135 N/A ARG 432.A NH2 VAL 342.A O no hydrogen 2.797 N/A HIS 433.A N ARG 430.A O no hydrogen 2.860 N/A HIS 433.A NE2 PRO 346.A O no hydrogen 2.704 N/A ALA 434.A N TYR 431.A O no hydrogen 2.967 N/A ASP 435.A N VAL 359.A O no hydrogen 2.733 N/A LEU 436.A N VAL 359.A O no hydrogen 3.242 N/A PHE 437.A N PRO 458.A O no hydrogen 2.767 N/A LEU 438.A N CYS 361.A O no hydrogen 2.830 N/A ASP 439.A N LEU 460.A O no hydrogen 2.832 N/A THR 440.A N ASP 439.A OD1 no hydrogen 2.616 N/A THR 440.A OG1 TYR 443.A O no hydrogen 2.902 N/A HIS 441.A N SER 373.A OG no hydrogen 3.014 N/A ASN 444.A N ALA 468.A O no hydrogen 2.911 N/A ASN 444.A ND2 THR 440.A O no hydrogen 2.966 N/A ALA 445.A N ASP 439.A OD1 no hydrogen 2.891 N/A THR 448.A OG1 PHE 363.A O no hydrogen 2.915 N/A SER 450.A N HIS 446.A O no hydrogen 3.428 N/A ASP 451.A N THR 447.A O no hydrogen 2.862 N/A ALA 452.A N THR 448.A O no hydrogen 2.896 N/A LEU 453.A N ALA 449.A O no hydrogen 3.036 N/A TRP 454.A N SER 450.A O no hydrogen 2.908 N/A TRP 454.A NE1 ARG 340.A O no hydrogen 3.117 N/A THR 455.A N ASP 451.A O no hydrogen 3.184 N/A THR 455.A OG1 ASP 451.A O no hydrogen 3.528 N/A THR 455.A OG1 ALA 452.A O no hydrogen 2.890 N/A GLY 456.A N LEU 453.A O no hydrogen 3.060 N/A CYS 457.A N ALA 452.A O no hydrogen 2.895 N/A CYS 457.A SG ALA 434.A O no hydrogen 4.033 N/A CYS 457.A SG PRO 458.A O no hydrogen 3.616 N/A LEU 460.A N PHE 437.A O no hydrogen 2.816 N/A THR 461.A N MET 484.A O no hydrogen 3.097 N/A THR 461.A OG1 ASP 439.A OD2 no hydrogen 2.410 N/A THR 462.A OG1 THR 462.A O no hydrogen 2.532 N/A GLY 464.A N ALA 469.A O no hydrogen 2.903 N/A ALA 469.A N THR 466.A O no hydrogen 3.080 N/A ARG 470.A N PHE 467.A O no hydrogen 2.964 N/A ARG 470.A NE PHE 312.A O no hydrogen 2.895 N/A ARG 470.A NH1 GLY 464.A O no hydrogen 2.894 N/A ARG 470.A NH2 PHE 312.A O no hydrogen 3.069 N/A ALA 472.A N ASN 444.A OD1 no hydrogen 2.891 N/A SER 474.A N ARG 470.A O no hydrogen 2.888 N/A SER 474.A OG ASP 310.A OD1 no hydrogen 3.440 N/A SER 474.A OG ASP 310.A OD2 no hydrogen 2.559 N/A SER 474.A OG HIS 478.A ND1 no hydrogen 3.211 N/A LEU 475.A N VAL 471.A O no hydrogen 3.278 N/A ASN 476.A N ALA 472.A O no hydrogen 3.160 N/A ASN 476.A ND2 VAL 459.A O no hydrogen 3.302 N/A ASN 476.A ND2 ASN 485.A OD1 no hydrogen 2.994 N/A HIS 477.A N GLY 473.A O no hydrogen 2.876 N/A HIS 477.A ND1 ASP 482.A OD1 no hydrogen 3.186 N/A HIS 478.A N SER 474.A O no hydrogen 2.932 N/A HIS 478.A ND1 SER 474.A O no hydrogen 2.871 N/A LEU 479.A N LEU 475.A O no hydrogen 2.885 N/A GLY 480.A N ASN 476.A O no hydrogen 2.889 N/A GLY 480.A N HIS 477.A O no hydrogen 3.081 N/A LEU 481.A N ASN 476.A O no hydrogen 2.666 N/A GLU 483.A N GLU 483.A OE1 no hydrogen 2.419 N/A MET 484.A N LEU 481.A O no hydrogen 3.129 N/A ASN 485.A N ASP 482.A O no hydrogen 3.075 N/A ASN 485.A ND2 GLY 473.A O no hydrogen 3.038 N/A VAL 486.A N THR 461.A O no hydrogen 2.810 N/A ALA 491.A N ASP 488.A OD1 no hydrogen 3.023 N/A PHE 492.A N ASP 488.A O no hydrogen 2.807 N/A VAL 493.A N ASP 489.A O no hydrogen 2.842 N/A ALA 494.A N ALA 490.A O no hydrogen 3.108 N/A LYS 495.A N ALA 491.A O no hydrogen 2.989 N/A ALA 496.A N PHE 492.A O no hydrogen 3.156 N/A VAL 497.A N VAL 493.A O no hydrogen 2.969 N/A ALA 498.A N ALA 494.A O no hydrogen 2.973 N/A LEU 499.A N LYS 495.A O no hydrogen 2.885 N/A ALA 500.A N ALA 496.A O no hydrogen 2.727 N/A SER 501.A N VAL 497.A O no hydrogen 2.963 N/A SER 501.A OG VAL 497.A O no hydrogen 2.557 N/A ASP 502.A N ALA 498.A O no hydrogen 3.129 N/A ASP 502.A N LEU 499.A O no hydrogen 3.200 N/A ALA 505.A N ASP 502.A OD1 no hydrogen 3.296 N/A LEU 506.A N ASP 502.A O no hydrogen 2.948 N/A THR 507.A N PRO 503.A O no hydrogen 2.834 N/A THR 507.A OG1 PRO 503.A O no hydrogen 2.980 N/A ALA 508.A N ALA 504.A O no hydrogen 3.094 N/A LEU 509.A N ALA 505.A O no hydrogen 2.956 N/A HIS 510.A N LEU 506.A O no hydrogen 2.926 N/A HIS 510.A NE2 ASP 435.A O no hydrogen 2.543 N/A ALA 511.A N THR 507.A O no hydrogen 3.028 N/A ARG 512.A N ALA 508.A O no hydrogen 3.128 N/A ARG 512.A NE GLU 483.A OE2 no hydrogen 3.148 N/A ARG 512.A NH2 GLU 483.A OE1 no hydrogen 3.157 N/A ARG 512.A NH2 GLU 483.A OE2 no hydrogen 2.916 N/A VAL 513.A N LEU 509.A O no hydrogen 2.931 N/A ASP 514.A N HIS 510.A O no hydrogen 3.103 N/A VAL 515.A N ALA 511.A O no hydrogen 3.198 N/A LEU 516.A N ARG 512.A O no hydrogen 2.954 N/A ARG 517.A N VAL 513.A O no hydrogen 2.922 N/A ARG 518.A N VAL 515.A O no hydrogen 3.331 N/A ARG 518.A NE ASP 514.A OD1 no hydrogen 3.048 N/A ALA 519.A N VAL 515.A O no hydrogen 3.060 N/A SER 520.A N LEU 516.A O no hydrogen 2.925 N/A SER 520.A OG LEU 516.A O no hydrogen 3.017 N/A HIS 524.A N GLY 521.A O no hydrogen 3.140 N/A HIS 524.A NE2 ARG 518.A O no hydrogen 3.057 N/A PHE 528.A N HIS 524.A O no hydrogen 3.225 N/A ALA 529.A N MET 525.A O no hydrogen 2.808 N/A ASP 530.A N ASP 526.A O no hydrogen 2.981 N/A ASP 531.A N GLY 527.A O no hydrogen 3.212 N/A PHE 532.A N PHE 528.A O no hydrogen 2.935 N/A GLY 533.A N ALA 529.A O no hydrogen 2.879 N/A ALA 534.A N ASP 530.A O no hydrogen 2.987 N/A LEU 535.A N ASP 531.A O no hydrogen 2.837 N/A LEU 536.A N PHE 532.A O no hydrogen 2.800 N/A GLN 537.A N GLY 533.A O no hydrogen 2.942 N/A ALA 538.A N ALA 534.A O no hydrogen 3.159 N/A LEU 539.A N LEU 535.A O no hydrogen 2.976 N/A ALA 540.A N LEU 536.A O no hydrogen 3.114 N/A ARG 541.A N GLN 537.A O no hydrogen 2.791 N/A ARG 542.A N LEU 539.A O no hydrogen 3.160 N/A ARG 542.A NH1 ARG 542.A O no hydrogen 2.817 N/A HIS 543.A N ALA 540.A O no hydrogen 2.808 N/A HIS 543.A NE2 TYR 306.A OH no hydrogen 2.797 N/A GLY 544.A N ARG 541.A O no hydrogen 3.263 N/A TRP 545.A N ALA 540.A O no hydrogen 2.786 N/A TRP 545.A NE1 GLY 184.A O no hydrogen 3.014 N/A LEU 546.A N SER 182.A O no hydrogen 2.750 N/A