Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vmo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 2.A N GLU 97.A OE1 no hydrogen 2.892 N/A ILE 3.A N ASN 1.A OD1 no hydrogen 3.123 N/A THR 6.A N ASN 21.A O no hydrogen 2.965 N/A THR 7.A N ASN 145.A OD1 no hydrogen 3.221 N/A THR 7.A OG1 LYS 9.A O no hydrogen 2.603 N/A ASP 8.A N HIS 19.A O no hydrogen 3.121 N/A LYS 9.A N TYR 12.A OH no hydrogen 2.957 N/A LYS 9.A NZ GLN 196.A O no hydrogen 2.958 N/A ALA 10.A N THR 197.A O no hydrogen 2.711 N/A TYR 12.A N ALA 104.A O no hydrogen 2.986 N/A TYR 12.A OH ASP 8.A OD1 no hydrogen 2.592 N/A GLN 13.A N GLU 16.A OE1 no hydrogen 2.877 N/A GLN 13.A NE2 ASP 107.A O no hydrogen 2.817 N/A GLU 16.A N GLN 13.A O no hydrogen 2.882 N/A VAL 18.A N ILE 71.A O no hydrogen 2.715 N/A HIS 19.A N ASP 8.A OD1 no hydrogen 3.085 N/A LEU 20.A N PHE 69.A O no hydrogen 3.000 N/A ASN 21.A N THR 6.A O no hydrogen 2.917 N/A ASN 21.A ND2 THR 64.A O no hydrogen 2.951 N/A LEU 22.A N THR 64.A OG1 no hydrogen 2.926 N/A THR 23.A N ILE 3.A O no hydrogen 2.877 N/A THR 23.A OG1 THR 63.A OG1 no hydrogen 2.928 N/A LEU 24.A N TYR 62.A O no hydrogen 2.789 N/A ASN 25.A ND2 MET 2.A O no hydrogen 3.103 N/A ASN 25.A ND2 GLU 97.A OE2 no hydrogen 3.022 N/A ASN 26.A N GLU 60.A O no hydrogen 2.800 N/A ASN 26.A ND2 LEU 30.A O no hydrogen 2.850 N/A ASN 26.A ND2 LEU 56.A O no hydrogen 2.890 N/A THR 28.A N ASN 26.A OD1 no hydrogen 2.991 N/A THR 28.A OG1 ASN 26.A OD1 no hydrogen 2.672 N/A LEU 30.A N THR 28.A OG1 no hydrogen 3.086 N/A GLN 32.A N LEU 56.A O no hydrogen 2.975 N/A GLN 32.A NE2 THR 28.A OG1 no hydrogen 3.128 N/A GLN 32.A NE2 LEU 30.A O no hydrogen 3.573 N/A ILE 34.A N LYS 54.A O no hydrogen 2.898 N/A THR 35.A N SER 89.A O no hydrogen 2.985 N/A THR 35.A OG1 THR 53.A OG1 no hydrogen 2.801 N/A ALA 36.A N TYR 52.A O no hydrogen 2.807 N/A THR 37.A N ASN 87.A O no hydrogen 2.830 N/A ALA 38.A N LEU 50.A O no hydrogen 2.842 N/A GLU 39.A N LYS 85.A O no hydrogen 2.844 N/A VAL 40.A N LYS 48.A O no hydrogen 2.780 N/A TYR 41.A N LEU 83.A O no hydrogen 2.783 N/A SER 42.A N ASN 45.A O no hydrogen 2.835 N/A GLU 44.A N GLU 44.A OE1 no hydrogen 2.752 N/A ASN 45.A N SER 42.A O no hydrogen 2.930 N/A LYS 46.A NZ THR 49.A OG1 no hydrogen 2.989 N/A LEU 47.A N VAL 40.A O no hydrogen 2.561 N/A LYS 48.A N VAL 40.A O no hydrogen 3.410 N/A LEU 50.A N ALA 38.A O no hydrogen 2.819 N/A TYR 52.A N ALA 36.A O no hydrogen 2.864 N/A TYR 52.A OH GLU 68.A OE2 no hydrogen 3.053 N/A THR 53.A OG1 THR 35.A OG1 no hydrogen 2.801 N/A THR 53.A OG1 GLN 51.A OE1 no hydrogen 2.785 N/A LYS 54.A N ILE 34.A O no hydrogen 2.936 N/A LEU 56.A N GLN 32.A O no hydrogen 2.952 N/A LEU 57.A N GLU 60.A OE1 no hydrogen 2.978 N/A ASN 59.A N ASN 26.A O no hydrogen 2.831 N/A GLU 60.A N LEU 57.A O no hydrogen 2.861 N/A SER 61.A OG ASN 25.A OD1 no hydrogen 2.167 N/A TYR 62.A N LEU 24.A O no hydrogen 2.831 N/A TYR 62.A OH GLN 65.A OE1 no hydrogen 2.745 N/A TYR 62.A OH GLU 68.A OE1 no hydrogen 2.544 N/A TYR 62.A OH GLU 68.A OE2 no hydrogen 3.075 N/A THR 63.A OG1 THR 23.A OG1 no hydrogen 2.928 N/A THR 64.A N LEU 22.A O no hydrogen 2.834 N/A THR 64.A OG1 LEU 22.A O no hydrogen 3.386 N/A GLN 65.A N GLU 68.A OE1 no hydrogen 2.674 N/A GLU 68.A N GLN 65.A O no hydrogen 3.135 N/A ILE 71.A N VAL 18.A O no hydrogen 2.907 N/A ASN 74.A N ALA 14.A O no hydrogen 3.055 N/A SER 75.A N PRO 72.A O no hydrogen 3.255 N/A SER 75.A OG PRO 72.A O no hydrogen 2.303 N/A ASN 78.A ND2 ASP 107.A OD1 no hydrogen 2.638 N/A ASN 78.A ND2 ASP 107.A OD2 no hydrogen 3.298 N/A ASN 79.A ND2 ASP 107.A OD2 no hydrogen 3.125 N/A ARG 80.A N VAL 105.A O no hydrogen 3.005 N/A GLY 81.A N ASN 481.A OD1 no hydrogen 3.100 N/A TYR 82.A N ILE 103.A O no hydrogen 2.798 N/A TYR 82.A OH ALA 77.A O no hydrogen 3.146 N/A LEU 83.A N TYR 41.A O no hydrogen 3.019 N/A LEU 84.A N ARG 101.A O no hydrogen 2.721 N/A LYS 85.A N GLU 39.A O no hydrogen 2.852 N/A VAL 86.A N GLY 99.A O no hydrogen 2.876 N/A ASN 87.A N THR 37.A O no hydrogen 2.971 N/A ASN 87.A ND2 GLN 98.A OE1 no hydrogen 2.476 N/A ILE 88.A N GLU 97.A O no hydrogen 2.871 N/A SER 89.A N THR 35.A O no hydrogen 2.820 N/A ASP 90.A N ASN 94.A O no hydrogen 2.942 N/A SER 91.A N GLN 32.A OE1 no hydrogen 2.847 N/A SER 91.A OG GLN 32.A OE1 no hydrogen 2.826 N/A GLN 92.A N ASP 90.A OD1 no hydrogen 2.780 N/A ASN 93.A N ASP 90.A O no hydrogen 2.959 N/A ASN 94.A N ASP 90.A OD1 no hydrogen 2.871 N/A ASN 94.A ND2 ASP 90.A OD2 no hydrogen 2.674 N/A LEU 96.A N ILE 88.A O no hydrogen 2.745 N/A GLU 97.A N ILE 88.A O no hydrogen 3.367 N/A GLY 99.A N VAL 86.A O no hydrogen 3.041 N/A ASN 100.A ND2 GLN 590.A O no hydrogen 2.794 N/A ARG 101.A N LEU 84.A O no hydrogen 2.893 N/A ARG 101.A NE ALA 102.A O no hydrogen 2.849 N/A ARG 101.A NE ASN 147.A OD1 no hydrogen 3.138 N/A ARG 101.A NH1 ASN 145.A OD1 no hydrogen 2.908 N/A ARG 101.A NH2 THR 7.A OG1 no hydrogen 2.958 N/A ARG 101.A NH2 ASN 147.A OD1 no hydrogen 3.003 N/A ALA 102.A N GLN 474.A OE1 no hydrogen 2.863 N/A ILE 103.A N TYR 82.A O no hydrogen 2.851 N/A VAL 105.A N ARG 80.A O no hydrogen 2.912 N/A GLU 106.A N TYR 12.A O no hydrogen 2.905 N/A ASP 107.A N ASN 79.A OD1 no hydrogen 3.359 N/A ARG 110.A N ASP 108.A OD1 no hydrogen 2.957 N/A ARG 110.A NE ASP 108.A OD1 no hydrogen 3.126 N/A ARG 110.A NH2 ASP 108.A OD2 no hydrogen 2.956 N/A ARG 114.A N ASN 149.A OD1 no hydrogen 2.921 N/A ARG 114.A NE ASN 147.A O no hydrogen 2.788 N/A ARG 114.A NH1 GLU 106.A OE1 no hydrogen 2.966 N/A ARG 114.A NH2 GLU 106.A OE2 no hydrogen 3.002 N/A ARG 114.A NH2 ASN 147.A O no hydrogen 2.883 N/A TYR 115.A OH GLN 276.A OE1 no hydrogen 2.623 N/A ALA 116.A N SER 150.A O no hydrogen 3.038 N/A ALA 117.A N LEU 434.A O no hydrogen 2.877 N/A ILE 118.A N PHE 152.A O no hydrogen 2.830 N/A GLY 119.A N ALA 436.A O no hydrogen 3.275 N/A SER 121.A N SER 127.A O no hydrogen 2.906 N/A SER 121.A OG ALA 438.A O no hydrogen 2.776 N/A ASP 124.A N SER 121.A O no hydrogen 2.957 N/A ASN 126.A N SER 121.A O no hydrogen 2.721 N/A ASN 126.A ND2 SER 178.A OG no hydrogen 3.078 N/A SER 127.A N ASP 124.A O no hydrogen 3.136 N/A SER 127.A OG ASP 124.A O no hydrogen 3.322 N/A SER 127.A OG GLN 181.A O no hydrogen 3.255 N/A VAL 128.A N GLN 181.A O no hydrogen 3.073 N/A THR 130.A N GLU 183.A OE1 no hydrogen 2.801 N/A THR 130.A OG1 GLU 183.A OE1 no hydrogen 3.547 N/A LYS 131.A NZ ASP 124.A OD1 no hydrogen 2.808 N/A ASN 132.A N LEU 129.A O no hydrogen 2.908 N/A ASN 132.A ND2 ASP 124.A OD2 no hydrogen 2.929 N/A LEU 133.A N THR 130.A O no hydrogen 3.121 N/A TYR 136.A N ASN 132.A O no hydrogen 3.011 N/A TYR 136.A OH GLY 119.A O no hydrogen 2.650 N/A TYR 137.A N LEU 133.A O no hydrogen 2.660 N/A ARG 138.A N PRO 134.A O no hydrogen 3.054 N/A ARG 138.A NE GLY 444.A O no hydrogen 3.072 N/A ARG 138.A NH1 ASP 135.A OD1 no hydrogen 3.230 N/A GLU 139.A N ASP 135.A O no hydrogen 3.068 N/A LEU 140.A N TYR 136.A O no hydrogen 2.763 N/A GLU 141.A N TYR 137.A O no hydrogen 2.909 N/A GLN 142.A N ARG 138.A O no hydrogen 3.269 N/A GLN 142.A NE2 ARG 138.A O no hydrogen 3.509 N/A GLN 142.A NE2 GLY 444.A O no hydrogen 2.743 N/A MET 143.A N GLU 139.A O no hydrogen 2.939 N/A LYS 144.A N LEU 140.A O no hydrogen 2.831 N/A LYS 144.A NZ THR 7.A O no hydrogen 2.709 N/A LYS 144.A NZ GLU 141.A OE1 no hydrogen 3.175 N/A LYS 144.A NZ GLU 141.A OE2 no hydrogen 3.168 N/A ASN 145.A N GLU 141.A O no hydrogen 3.044 N/A ASN 145.A ND2 GLU 141.A OE2 no hydrogen 3.187 N/A MET 146.A N MET 143.A O no hydrogen 3.053 N/A ASN 147.A N LYS 144.A O no hydrogen 2.859 N/A ASN 147.A ND2 GLN 474.A OE1 no hydrogen 2.916 N/A ILE 148.A N MET 143.A O no hydrogen 3.170 N/A ASN 149.A N ARG 114.A O no hydrogen 3.104 N/A ASN 149.A ND2 GLU 106.A OE2 no hydrogen 2.979 N/A ASN 149.A ND2 PHE 112.A O no hydrogen 2.848 N/A SER 150.A OG ARG 114.A O no hydrogen 3.258 N/A SER 150.A OG ASN 149.A OD1 no hydrogen 2.887 N/A TYR 151.A N VAL 200.A O no hydrogen 2.896 N/A PHE 152.A N ALA 116.A O no hydrogen 2.804 N/A PHE 153.A N MET 202.A O no hydrogen 2.908 N/A TYR 154.A N ILE 118.A O no hydrogen 2.837 N/A LYS 158.A N PRO 163.A O no hydrogen 2.863 N/A SER 159.A N ASN 162.A O no hydrogen 3.376 N/A SER 159.A OG GLU 214.A OE1 no hydrogen 3.065 N/A ALA 160.A N ASN 211.A OD1 no hydrogen 3.134 N/A ASN 162.A N SER 159.A O no hydrogen 3.122 N/A ASN 162.A N SER 159.A OG no hydrogen 3.034 N/A VAL 167.A N PRO 165.A O no hydrogen 2.957 N/A PHE 170.A N VAL 182.A O no hydrogen 3.040 N/A GLN 172.A N SER 180.A O no hydrogen 3.265 N/A GLN 172.A NE2 ASP 155.A O no hydrogen 2.916 N/A GLN 172.A NE2 TYR 157.A O no hydrogen 3.024 N/A SER 173.A OG ASN 213.A OD1 no hydrogen 2.537 N/A TRP 174.A NE1 LYS 158.A O no hydrogen 2.658 N/A ASN 175.A N GLN 172.A O no hydrogen 3.175 N/A ASN 175.A ND2 SER 178.A OG no hydrogen 2.831 N/A ASN 175.A ND2 SER 180.A OG no hydrogen 2.695 N/A TRP 177.A NE1 TYR 453.A OH no hydrogen 3.265 N/A SER 178.A N ASN 175.A OD1 no hydrogen 2.953 N/A SER 178.A OG ASN 125.A O no hydrogen 2.668 N/A HIS 179.A N ASN 175.A O no hydrogen 3.223 N/A SER 180.A OG GLN 172.A OE1 no hydrogen 2.710 N/A GLN 181.A N SER 127.A OG no hydrogen 2.699 N/A VAL 182.A N PHE 170.A O no hydrogen 3.063 N/A GLU 183.A N VAL 128.A O no hydrogen 2.933 N/A THR 184.A N PRO 168.A O no hydrogen 3.038 N/A THR 184.A OG1 VAL 167.A O no hydrogen 2.720 N/A THR 184.A OG1 PRO 168.A O no hydrogen 3.277 N/A VAL 187.A N GLU 183.A O no hydrogen 3.262 N/A LYS 188.A N THR 184.A O no hydrogen 2.933 N/A ALA 189.A N ASP 185.A O no hydrogen 2.976 N/A LEU 190.A N ALA 186.A O no hydrogen 2.998 N/A VAL 191.A N VAL 187.A O no hydrogen 2.966 N/A ASN 192.A N LYS 188.A O no hydrogen 2.807 N/A ARG 193.A N ALA 189.A O no hydrogen 2.933 N/A VAL 194.A N LEU 190.A O no hydrogen 2.886 N/A HIS 195.A N VAL 191.A O no hydrogen 2.942 N/A HIS 195.A NE2 ASP 273.A OD2 no hydrogen 2.674 N/A GLN 196.A N ASN 192.A O no hydrogen 2.972 N/A THR 197.A N ARG 193.A O no hydrogen 3.277 N/A THR 197.A N VAL 194.A O no hydrogen 3.118 N/A THR 197.A OG1 VAL 194.A O no hydrogen 2.593 N/A GLY 198.A N HIS 195.A O no hydrogen 2.998 N/A ALA 199.A N VAL 194.A O no hydrogen 3.083 N/A ALA 199.A N THR 197.A OG1 no hydrogen 3.294 N/A VAL 200.A N ASN 149.A O no hydrogen 3.058 N/A ALA 201.A N ASP 273.A OD2 no hydrogen 2.705 N/A MET 202.A N TYR 151.A O no hydrogen 2.849 N/A LEU 203.A N GLY 274.A O no hydrogen 2.742 N/A TYR 204.A N PHE 153.A O no hydrogen 3.287 N/A TYR 204.A OH ASP 278.A OD2 no hydrogen 2.449 N/A ASN 205.A N GLN 276.A O no hydrogen 3.060 N/A ASN 205.A ND2 ALA 160.A O no hydrogen 2.916 N/A ILE 207.A N ASP 278.A O no hydrogen 3.028 N/A GLN 210.A N TYR 246.A O no hydrogen 3.145 N/A GLN 210.A NE2 THR 215.A O no hydrogen 3.303 N/A VAL 217.A N GLN 210.A OE1 no hydrogen 2.959 N/A THR 221.A OG1 GLU 222.A OE2 no hydrogen 2.502 N/A GLU 222.A N PRO 219.A O no hydrogen 3.121 N/A TYR 223.A N ASP 220.A O no hydrogen 3.277 N/A ILE 224.A N TYR 247.A O no hydrogen 3.122 N/A TYR 225.A N LEU 286.A O no hydrogen 2.778 N/A TYR 225.A OH ASP 220.A O no hydrogen 2.965 N/A TYR 225.A OH HIS 288.A ND1 no hydrogen 2.887 N/A ASN 226.A N GLN 237.A O no hydrogen 2.971 N/A ASN 226.A ND2 TYR 232.A O no hydrogen 2.761 N/A ASN 226.A ND2 GLN 234.A O no hydrogen 3.191 N/A TYR 227.A N ARG 284.A O no hydrogen 3.060 N/A TYR 227.A OH ARG 294.A O no hydrogen 2.471 N/A GLY 230.A N GLY 233.A O no hydrogen 3.054 N/A GLY 233.A N GLY 230.A O no hydrogen 3.117 N/A GLN 234.A N GLN 237.A OE1 no hydrogen 3.206 N/A ASN 235.A N THR 229.A OG1 no hydrogen 2.899 N/A GLY 236.A N ASN 226.A O no hydrogen 3.069 N/A GLN 237.A N GLN 234.A O no hydrogen 2.892 N/A MET 239.A N ILE 224.A O no hydrogen 2.697 N/A THR 240.A N TYR 232.A O no hydrogen 3.182 N/A THR 240.A OG1 VAL 238.A O no hydrogen 2.753 N/A TYR 241.A N GLN 245.A O no hydrogen 2.771 N/A LEU 244.A N TYR 241.A O no hydrogen 2.939 N/A GLN 245.A N TYR 241.A O no hydrogen 3.342 N/A GLN 245.A NE2 TYR 247.A OH no hydrogen 2.955 N/A TYR 246.A N GLN 210.A O no hydrogen 3.250 N/A TYR 248.A N LEU 208.A O no hydrogen 2.972 N/A TYR 248.A OH GLN 210.A OE1 no hydrogen 2.743 N/A ASN 249.A N GLU 222.A O no hydrogen 2.850 N/A LEU 251.A N ASN 249.A OD1 no hydrogen 2.841 N/A SER 252.A N ASN 249.A O no hydrogen 3.211 N/A SER 252.A OG GLU 222.A OE1 no hydrogen 2.791 N/A SER 254.A OG SER 252.A OG no hydrogen 3.082 N/A TRP 255.A N SER 252.A OG no hydrogen 2.935 N/A TRP 255.A NE1 ILE 207.A O no hydrogen 2.908 N/A GLN 256.A N SER 252.A O no hydrogen 3.020 N/A GLN 256.A NE2 PRO 250.A O no hydrogen 2.854 N/A ASN 257.A N LYS 253.A O no hydrogen 3.070 N/A TYR 258.A N SER 254.A O no hydrogen 2.975 N/A TYR 258.A OH THR 161.A O no hydrogen 3.095 N/A ILE 259.A N TRP 255.A O no hydrogen 2.956 N/A SER 260.A N GLN 256.A O no hydrogen 3.113 N/A SER 260.A OG GLN 256.A O no hydrogen 2.757 N/A SER 260.A OG ASN 257.A O no hydrogen 3.034 N/A ASN 261.A N ASN 257.A O no hydrogen 3.155 N/A ALA 262.A N TYR 258.A O no hydrogen 2.880 N/A MET 263.A N ILE 259.A O no hydrogen 2.909 N/A ALA 264.A N SER 260.A O no hydrogen 2.745 N/A GLN 265.A N ASN 261.A O no hydrogen 3.144 N/A GLN 265.A NE2 ASN 269.A OD1 no hydrogen 2.665 N/A ALA 266.A N ALA 262.A O no hydrogen 3.043 N/A MET 267.A N MET 263.A O no hydrogen 2.846 N/A LYS 268.A N ALA 264.A O no hydrogen 3.056 N/A ASN 269.A N GLN 265.A O no hydrogen 2.797 N/A ASN 269.A ND2 PHE 164.A O no hydrogen 2.921 N/A GLY 270.A N ALA 266.A O no hydrogen 3.152 N/A GLY 271.A N LYS 268.A O no hydrogen 3.315 N/A PHE 272.A N MET 267.A O no hydrogen 2.898 N/A ASP 273.A N ALA 201.A O no hydrogen 2.681 N/A TRP 275.A N TYR 321.A O no hydrogen 2.864 N/A TRP 275.A NE1 ASN 205.A O no hydrogen 3.010 N/A GLN 276.A N LEU 203.A O no hydrogen 2.699 N/A GLY 277.A N THR 323.A O no hydrogen 2.736 N/A ASP 278.A N ASN 205.A O no hydrogen 3.096 N/A ASN 283.A N ASP 282.A OD1 no hydrogen 2.913 N/A ASN 283.A ND2 ASN 226.A OD1 no hydrogen 2.952 N/A ARG 284.A NH1 SER 299.A OG no hydrogen 3.024 N/A VAL 285.A N PHE 300.A O no hydrogen 2.629 N/A LEU 286.A N TYR 225.A O no hydrogen 2.659 N/A HIS 288.A ND1 TYR 225.A OH no hydrogen 2.887 N/A GLN 290.A N SER 287.A O no hydrogen 3.042 N/A LYS 291.A N HIS 288.A O no hydrogen 3.258 N/A SER 293.A N GLN 290.A O no hydrogen 2.890 N/A SER 293.A OG HIS 298.A ND1 no hydrogen 3.155 N/A ARG 294.A NH1 TYR 227.A O no hydrogen 3.347 N/A ARG 294.A NH1 SER 293.A O no hydrogen 2.939 N/A ARG 294.A NH2 TYR 227.A O no hydrogen 3.115 N/A ASP 295.A N SER 293.A OG no hydrogen 3.322 N/A ALA 297.A N ASP 295.A OD1 no hydrogen 3.001 N/A HIS 298.A N ASP 295.A O no hydrogen 2.937 N/A SER 299.A N ILE 296.A O no hydrogen 3.153 N/A SER 299.A OG ILE 296.A O no hydrogen 2.735 N/A PHE 300.A N VAL 285.A O no hydrogen 2.918 N/A LEU 302.A N ASN 283.A O no hydrogen 2.961 N/A SER 303.A N ASP 282.A OD1 no hydrogen 3.008 N/A SER 303.A OG ASP 282.A OD2 no hydrogen 2.625 N/A ASP 304.A N MET 301.A O no hydrogen 3.005 N/A VAL 305.A N LEU 302.A O no hydrogen 2.880 N/A PHE 309.A N VAL 305.A O no hydrogen 2.952 N/A LEU 310.A N TYR 306.A O no hydrogen 2.863 N/A ASN 311.A N ALA 307.A O no hydrogen 2.895 N/A LYS 312.A N GLU 308.A O no hydrogen 3.133 N/A MET 313.A N PHE 309.A O no hydrogen 3.031 N/A LYS 314.A N LEU 310.A O no hydrogen 2.863 N/A LYS 314.A NZ TYR 320.A O no hydrogen 3.066 N/A LYS 314.A NZ ASP 341.A OD1 no hydrogen 3.241 N/A LYS 314.A NZ ASP 341.A OD2 no hydrogen 2.550 N/A GLU 315.A N ASN 311.A O no hydrogen 3.080 N/A LYS 316.A N LYS 312.A O no hydrogen 2.895 N/A LYS 316.A NZ ASN 257.A OD1 no hydrogen 2.520 N/A LEU 317.A N LYS 314.A O no hydrogen 3.315 N/A GLN 319.A N GLN 319.A OE1 no hydrogen 2.860 N/A TYR 320.A N LEU 317.A O no hydrogen 3.201 N/A TYR 321.A N ASP 273.A O no hydrogen 2.961 N/A LEU 322.A N ASP 341.A OD2 no hydrogen 2.764 N/A THR 323.A N TRP 275.A O no hydrogen 3.295 N/A THR 323.A OG1 GLN 340.A OE1 no hydrogen 3.249 N/A THR 323.A OG1 VAL 342.A O no hydrogen 2.702 N/A LEU 324.A N GLN 340.A OE1 no hydrogen 2.825 N/A ASN 325.A N GLY 277.A O no hydrogen 2.820 N/A ASN 325.A ND2 ASP 278.A OD1 no hydrogen 3.032 N/A ASP 326.A N TYR 344.A O no hydrogen 3.333 N/A ASN 328.A N GLU 346.A O no hydrogen 2.558 N/A GLY 329.A N ASP 326.A O no hydrogen 2.632 N/A ASN 331.A N ASP 326.A OD2 no hydrogen 2.775 N/A LYS 334.A NZ SER 303.A OG no hydrogen 2.521 N/A LYS 334.A NZ ASP 304.A OD1 no hydrogen 2.987 N/A LEU 335.A N ASN 331.A O no hydrogen 2.951 N/A LEU 335.A N ILE 332.A O no hydrogen 3.035 N/A SER 338.A N LEU 335.A O no hydrogen 2.996 N/A SER 338.A OG LEU 335.A O no hydrogen 2.594 N/A LYS 339.A N ASN 311.A OD1 no hydrogen 2.833 N/A GLN 340.A NE2 SER 338.A OG no hydrogen 3.155 N/A ASP 341.A N LEU 322.A O no hydrogen 2.738 N/A ASN 345.A N ILE 382.A O no hydrogen 3.012 N/A GLU 346.A N ASN 325.A OD1 no hydrogen 3.042 N/A LEU 347.A N GLY 384.A O no hydrogen 2.697 N/A TRP 348.A N ASN 328.A OD1 no hydrogen 3.106 N/A GLY 351.A N TRP 348.A O no hydrogen 3.135 N/A SER 353.A N ARG 358.A O no hydrogen 2.786 N/A SER 353.A OG ASP 365.A OD1 no hydrogen 2.596 N/A LEU 355.A N SER 353.A OG no hydrogen 2.853 N/A GLY 356.A N SER 353.A O no hydrogen 3.050 N/A ARG 358.A N GLY 356.A O no hydrogen 2.585 N/A ARG 358.A NE ASP 365.A OD1 no hydrogen 2.857 N/A ARG 358.A NE ASP 365.A OD2 no hydrogen 3.340 N/A ARG 358.A NH2 GLU 361.A OE2 no hydrogen 2.867 N/A ARG 358.A NH2 ASP 365.A OD2 no hydrogen 2.859 N/A GLN 360.A N GLY 351.A O no hydrogen 2.814 N/A GLN 360.A NE2 ASN 328.A O no hydrogen 3.417 N/A GLN 360.A NE2 TRP 348.A O no hydrogen 3.192 N/A SER 362.A N ASP 365.A OD2 no hydrogen 2.981 N/A SER 362.A OG ASP 365.A OD2 no hydrogen 2.877 N/A SER 362.A OG GLY 510.A O no hydrogen 3.297 N/A TYR 363.A N SER 539.A O no hydrogen 2.867 N/A GLY 364.A N GLY 510.A O no hydrogen 2.922 N/A ASP 365.A N SER 362.A O no hydrogen 2.943 N/A ASP 365.A N SER 362.A OG no hydrogen 3.419 N/A LEU 366.A N SER 362.A O no hydrogen 3.403 N/A LYS 367.A N TYR 363.A O no hydrogen 3.224 N/A LYS 367.A NZ ASP 371.A OD2 no hydrogen 2.882 N/A LYS 367.A NZ ASN 489.A OD1 no hydrogen 3.344 N/A ALA 368.A N GLY 364.A O no hydrogen 2.982 N/A ARG 369.A N ASP 365.A O no hydrogen 3.211 N/A ARG 369.A NH1 THR 352.A O no hydrogen 3.013 N/A ARG 369.A NH1 GLN 360.A OE1 no hydrogen 2.969 N/A ARG 369.A NH2 GLN 372.A OE1 no hydrogen 2.914 N/A VAL 370.A N LEU 366.A O no hydrogen 3.088 N/A ASP 371.A N LYS 367.A O no hydrogen 2.860 N/A GLN 372.A N ALA 368.A O no hydrogen 2.915 N/A VAL 373.A N ARG 369.A O no hydrogen 3.046 N/A ARG 374.A N VAL 370.A O no hydrogen 2.974 N/A ARG 374.A NE GLU 488.A OE1 no hydrogen 2.940 N/A ARG 374.A NH1 ASP 371.A OD1 no hydrogen 3.378 N/A ARG 374.A NH1 ALA 427.A O no hydrogen 2.917 N/A ARG 374.A NH2 ASP 371.A OD1 no hydrogen 2.970 N/A GLN 375.A N ASP 371.A O no hydrogen 2.826 N/A ALA 376.A N GLN 372.A O no hydrogen 3.005 N/A THR 377.A N VAL 373.A O no hydrogen 3.001 N/A THR 377.A OG1 VAL 373.A O no hydrogen 2.678 N/A GLY 378.A N ARG 374.A O no hydrogen 2.791 N/A LYS 379.A N THR 377.A OG1 no hydrogen 3.100 N/A SER 380.A OG GLY 428.A O no hydrogen 2.545 N/A ILE 382.A N ILE 343.A O no hydrogen 2.887 N/A VAL 383.A N TYR 430.A O no hydrogen 2.771 N/A GLY 384.A N ASN 345.A O no hydrogen 2.814 N/A TYR 386.A OH TYR 344.A OH no hydrogen 3.352 N/A TYR 386.A OH GLU 346.A OE2 no hydrogen 2.824 N/A TYR 386.A OH TYR 454.A OH no hydrogen 2.618 N/A MET 387.A N LEU 449.A O no hydrogen 2.963 N/A GLU 388.A N LYS 542.A O no hydrogen 2.786 N/A GLU 389.A N MET 387.A O no hydrogen 2.723 N/A LYS 391.A N ASN 400.A OD1 no hydrogen 3.197 N/A ASP 393.A N ILE 397.A O no hydrogen 2.960 N/A ASP 394.A N ASP 394.A OD1 no hydrogen 2.498 N/A ASN 395.A N ASP 393.A OD1 no hydrogen 2.825 N/A ARG 396.A N ASP 393.A O no hydrogen 3.192 N/A ILE 397.A N ASP 393.A OD1 no hydrogen 2.649 N/A LEU 399.A N LYS 391.A O no hydrogen 2.709 N/A ASN 400.A ND2 GLU 389.A O no hydrogen 3.242 N/A ALA 402.A N GLU 544.A O no hydrogen 2.880 N/A ALA 403.A N ASN 400.A OD1 no hydrogen 3.009 N/A ARG 404.A N ASN 400.A O no hydrogen 3.263 N/A ARG 404.A NE GLU 548.A OE2 no hydrogen 2.696 N/A ARG 404.A NH2 GLU 548.A OE1 no hydrogen 2.682 N/A ARG 404.A NH2 GLU 548.A OE2 no hydrogen 3.325 N/A ASP 405.A N GLY 401.A O no hydrogen 2.979 N/A VAL 406.A N ALA 402.A O no hydrogen 3.022 N/A LEU 407.A N ALA 403.A O no hydrogen 3.106 N/A ALA 408.A N ARG 404.A O no hydrogen 3.178 N/A SER 409.A N VAL 406.A O no hydrogen 2.963 N/A ALA 410.A N ASP 405.A O no hydrogen 3.025 N/A THR 411.A OG1 TYR 412.A O no hydrogen 3.030 N/A THR 411.A OG1 TYR 547.A OH no hydrogen 2.671 N/A TYR 412.A N LYS 460.A O no hydrogen 2.849 N/A TYR 412.A OH GLU 450.A OE1 no hydrogen 2.644 N/A GLN 413.A N GLU 388.A OE2 no hydrogen 2.758 N/A GLN 413.A NE2 ASN 543.A OD1 no hydrogen 2.858 N/A GLN 413.A NE2 ASN 549.A O no hydrogen 3.071 N/A VAL 417.A N GLN 413.A O no hydrogen 3.270 N/A LEU 418.A N THR 414.A O no hydrogen 3.070 N/A LEU 419.A N ASP 415.A O no hydrogen 2.926 N/A THR 420.A N ALA 416.A O no hydrogen 3.310 N/A THR 420.A OG1 ALA 416.A O no hydrogen 3.417 N/A THR 420.A OG1 TRP 541.A O no hydrogen 2.856 N/A THR 421.A N VAL 417.A O no hydrogen 3.083 N/A THR 421.A OG1 VAL 417.A O no hydrogen 3.390 N/A THR 421.A OG1 HIS 431.A ND1 no hydrogen 2.789 N/A ALA 422.A N LEU 418.A O no hydrogen 2.776 N/A ALA 423.A N LEU 419.A O no hydrogen 2.796 N/A ILE 424.A N THR 420.A O no hydrogen 3.097 N/A ALA 425.A N THR 421.A O no hydrogen 3.105 N/A ALA 426.A N ALA 422.A O no hydrogen 2.749 N/A GLY 428.A N ALA 425.A O no hydrogen 3.009 N/A GLY 429.A N ILE 424.A O no hydrogen 2.844 N/A TYR 430.A N LEU 381.A O no hydrogen 2.899 N/A TYR 430.A OH GLN 473.A OE1 no hydrogen 2.690 N/A HIS 431.A ND1 THR 421.A OG1 no hydrogen 2.789 N/A HIS 431.A NE2 ALA 385.A O no hydrogen 3.046 N/A MET 432.A N VAL 383.A O no hydrogen 2.881 N/A ALA 435.A N GLY 447.A O no hydrogen 2.997 N/A ALA 436.A N ALA 117.A O no hydrogen 2.852 N/A ALA 438.A N GLU 139.A OE1 no hydrogen 2.988 N/A ASN 439.A ND2 GLN 122.A OE1 no hydrogen 2.983 N/A ASN 439.A ND2 PRO 455.A O no hydrogen 3.353 N/A ASN 441.A N ASN 439.A OD1 no hydrogen 2.947 N/A ASN 441.A ND2 GLN 457.A O no hydrogen 2.871 N/A ASP 442.A N ASN 439.A O no hydrogen 3.070 N/A GLY 443.A N PRO 440.A O no hydrogen 2.978 N/A GLY 445.A N ASP 442.A O no hydrogen 2.925 N/A VAL 446.A N ASN 466.A OD1 no hydrogen 3.303 N/A GLY 447.A N ALA 435.A O no hydrogen 2.816 N/A VAL 448.A N GLN 457.A OE1 no hydrogen 3.071 N/A LEU 449.A N SER 433.A O no hydrogen 2.721 N/A THR 451.A OG1 GLU 389.A OE2 no hydrogen 2.556 N/A TYR 454.A OH TYR 386.A OH no hydrogen 2.618 N/A THR 456.A N TYR 453.A O no hydrogen 3.115 N/A THR 456.A OG1 TYR 453.A O no hydrogen 3.481 N/A GLN 457.A N GLN 122.A OE1 no hydrogen 2.865 N/A GLN 457.A NE2 VAL 448.A O no hydrogen 2.709 N/A GLN 457.A NE2 THR 456.A O no hydrogen 2.941 N/A SER 458.A N GLU 450.A OE1 no hydrogen 2.610 N/A SER 458.A OG GLU 450.A OE1 no hydrogen 3.217 N/A SER 458.A OG GLU 450.A OE2 no hydrogen 2.552 N/A LYS 460.A N ALA 410.A O no hydrogen 3.273 N/A VAL 461.A N ASN 441.A O no hydrogen 2.858 N/A LYS 463.A NZ GLY 443.A O no hydrogen 3.532 N/A LEU 465.A N SER 462.A OG no hydrogen 2.976 N/A ASN 466.A N SER 462.A O no hydrogen 2.923 N/A ASN 466.A ND2 GLN 142.A OE1 no hydrogen 3.405 N/A ARG 467.A N LYS 463.A O no hydrogen 2.907 N/A LYS 468.A N GLU 464.A O no hydrogen 2.879 N/A LYS 468.A NZ GLU 464.A OE2 no hydrogen 2.812 N/A ASN 469.A N LEU 465.A O no hydrogen 2.729 N/A TYR 470.A N ASN 466.A O no hydrogen 3.212 N/A HIS 471.A N ARG 467.A O no hydrogen 3.000 N/A TYR 472.A N LYS 468.A O no hydrogen 2.764 N/A TYR 472.A OH ASP 586.A OD1 no hydrogen 2.592 N/A GLN 473.A N ASN 469.A O no hydrogen 2.866 N/A GLN 474.A N TYR 470.A O no hydrogen 3.032 N/A GLN 474.A NE2 ASN 145.A O no hydrogen 2.843 N/A PHE 475.A N HIS 471.A O no hydrogen 3.002 N/A ILE 476.A N TYR 472.A O no hydrogen 2.869 N/A THR 477.A N GLN 473.A O no hydrogen 3.100 N/A THR 477.A OG1 GLN 473.A O no hydrogen 2.972 N/A ALA 478.A N GLN 474.A O no hydrogen 2.845 N/A TYR 479.A N PHE 475.A O no hydrogen 2.990 N/A TYR 479.A OH THR 583.A OG1 no hydrogen 3.395 N/A TYR 479.A OH SER 591.A O no hydrogen 2.610 N/A GLU 480.A N THR 477.A O no hydrogen 3.196 N/A ASN 481.A ND2 ASN 79.A O no hydrogen 3.080 N/A ASN 481.A ND2 ASP 485.A OD2 no hydrogen 2.881 N/A LEU 482.A N TYR 479.A O no hydrogen 2.956 N/A LEU 483.A N TYR 479.A O no hydrogen 3.000 N/A ARG 484.A N GLU 480.A O no hydrogen 2.922 N/A ARG 484.A NH1 PRO 113.A O no hydrogen 3.125 N/A ARG 484.A NH1 SER 380.A OG no hydrogen 2.891 N/A ARG 484.A NH2 PRO 113.A O no hydrogen 2.867 N/A GLU 488.A N LYS 522.A O no hydrogen 2.886 N/A ASN 489.A ND2 ASP 371.A OD2 no hydrogen 3.101 N/A ASP 490.A N ALA 520.A O no hydrogen 3.340 N/A ALA 492.A N ASP 490.A OD1 no hydrogen 2.936 N/A GLN 495.A N THR 562.A O no hydrogen 3.089 N/A THR 496.A N SER 505.A OG no hydrogen 2.806 N/A THR 496.A OG1 THR 518.A OG1 no hydrogen 2.645 N/A PHE 497.A N LEU 560.A O no hydrogen 2.829 N/A THR 498.A N ARG 502.A O no hydrogen 2.894 N/A ASN 500.A N THR 498.A OG1 no hydrogen 3.168 N/A ASN 500.A ND2 ALA 499.A O no hydrogen 3.623 N/A GLY 501.A N THR 498.A O no hydrogen 2.782 N/A ARG 502.A N THR 498.A OG1 no hydrogen 2.946 N/A GLN 503.A NE2 SER 505.A O no hydrogen 3.091 N/A LEU 504.A N THR 496.A O no hydrogen 2.660 N/A SER 505.A N THR 496.A O no hydrogen 3.326 N/A SER 505.A OG GLN 495.A OE1 no hydrogen 2.714 N/A SER 505.A OG THR 496.A O no hydrogen 3.421 N/A GLN 506.A N GLN 515.A OE1 no hydrogen 2.846 N/A GLN 506.A NE2 GLN 503.A O no hydrogen 3.468 N/A ASP 507.A N GLN 515.A OE1 no hydrogen 2.888 N/A LEU 509.A N ASP 507.A OD1 no hydrogen 3.072 N/A GLY 510.A N ASP 507.A O no hydrogen 2.899 N/A ILE 511.A N ASP 507.A OD2 no hydrogen 2.760 N/A ASN 512.A N ASP 507.A OD2 no hydrogen 2.932 N/A ASP 514.A N ILE 537.A O no hydrogen 2.953 N/A GLN 515.A NE2 ASP 507.A O no hydrogen 2.845 N/A GLN 515.A NE2 ASN 512.A O no hydrogen 2.975 N/A VAL 516.A N LEU 504.A O no hydrogen 2.974 N/A TRP 517.A N LEU 532.A O no hydrogen 2.907 N/A TRP 517.A NE1 ALA 508.A O no hydrogen 2.812 N/A THR 518.A OG1 THR 496.A OG1 no hydrogen 2.645 N/A THR 518.A OG1 VAL 516.A O no hydrogen 2.870 N/A TYR 519.A N GLN 530.A O no hydrogen 3.177 N/A LYS 521.A N THR 528.A O no hydrogen 2.843 N/A LYS 522.A N GLU 488.A O no hydrogen 2.792 N/A GLY 523.A N PHE 526.A O no hydrogen 3.017 N/A ARG 527.A N ILE 625.A O no hydrogen 2.745 N/A ARG 527.A NH1 PHE 526.A O no hydrogen 2.999 N/A THR 528.A N LYS 521.A O no hydrogen 2.910 N/A ILE 529.A N ILE 623.A O no hydrogen 2.958 N/A GLN 530.A N TYR 519.A O no hydrogen 2.837 N/A LEU 531.A N ASP 621.A O no hydrogen 2.962 N/A LEU 532.A N TRP 517.A O no hydrogen 2.812 N/A ASN 533.A N LEU 619.A O no hydrogen 2.782 N/A ASN 533.A ND2 ASP 554.A O no hydrogen 2.892 N/A ASN 533.A ND2 LEU 617.A O no hydrogen 3.422 N/A ASN 533.A ND2 THR 618.A O no hydrogen 2.918 N/A LEU 534.A N GLN 515.A O no hydrogen 2.875 N/A MET 535.A N ASN 533.A OD1 no hydrogen 3.046 N/A GLY 536.A N ASP 514.A OD1 no hydrogen 2.914 N/A ILE 537.A N LEU 534.A O no hydrogen 3.148 N/A THR 538.A OG1 ASP 540.A OD1 no hydrogen 2.639 N/A SER 539.A OG ILE 511.A O no hydrogen 2.567 N/A TRP 541.A N GLU 361.A O no hydrogen 2.949 N/A TRP 541.A NE1 GLN 360.A O no hydrogen 2.925 N/A LYS 542.A NZ GLU 389.A OE1 no hydrogen 2.767 N/A ASN 543.A N ASP 540.A OD2 no hydrogen 3.197 N/A ASN 543.A ND2 GLY 546.A O no hydrogen 2.867 N/A ASN 543.A ND2 ASN 549.A O no hydrogen 3.508 N/A GLY 546.A N ASN 543.A O no hydrogen 2.905 N/A TYR 547.A N ASP 405.A OD2 no hydrogen 2.760 N/A TYR 547.A OH THR 411.A OG1 no hydrogen 2.671 N/A TYR 547.A OH TYR 412.A O no hydrogen 3.125 N/A GLU 548.A N ASP 545.A O no hydrogen 3.257 N/A ASN 549.A N GLY 546.A O no hydrogen 3.068 N/A ASN 549.A ND2 THR 538.A OG1 no hydrogen 2.835 N/A ASN 550.A ND2 THR 552.A O no hydrogen 2.940 N/A LYS 551.A N GLN 413.A OE1 no hydrogen 2.817 N/A LYS 551.A NZ TYR 363.A OH no hydrogen 2.913 N/A LYS 551.A NZ THR 538.A O no hydrogen 2.731 N/A LYS 551.A NZ ASP 540.A O no hydrogen 2.642 N/A LYS 551.A NZ ASP 540.A OD1 no hydrogen 3.301 N/A THR 552.A N ASN 550.A OD1 no hydrogen 3.057 N/A THR 552.A OG1 ASP 415.A OD2 no hydrogen 2.799 N/A ASP 554.A N MET 535.A O no hydrogen 2.953 N/A GLN 556.A N LEU 617.A O no hydrogen 2.974 N/A GLN 556.A NE2 ASP 554.A O no hydrogen 2.964 N/A ASN 558.A N PRO 615.A O no hydrogen 2.987 N/A LEU 559.A N VAL 614.A O no hydrogen 2.840 N/A LEU 560.A N PHE 497.A O no hydrogen 2.870 N/A VAL 561.A N ILE 612.A O no hydrogen 2.939 N/A THR 562.A N GLN 495.A O no hydrogen 2.923 N/A TYR 563.A N LEU 610.A O no hydrogen 2.969 N/A TYR 563.A OH ASP 490.A OD2 no hydrogen 2.485 N/A LEU 565.A N PRO 608.A O no hydrogen 2.998 N/A VAL 568.A N LEU 565.A O no hydrogen 2.930 N/A ALA 573.A N SER 569.A O no hydrogen 3.369 N/A ARG 575.A NH1 GLU 572.A OE2 no hydrogen 3.286 N/A ILE 576.A N GLU 572.A O no hydrogen 2.748 N/A ALA 577.A N ALA 573.A O no hydrogen 2.816 N/A LYS 578.A N ARG 575.A O no hydrogen 2.815 N/A GLN 579.A N ILE 576.A O no hydrogen 2.683 N/A TYR 581.A N TYR 624.A O no hydrogen 2.910 N/A LEU 582.A N ILE 594.A O no hydrogen 2.791 N/A THR 583.A N MET 622.A O no hydrogen 2.927 N/A THR 583.A OG1 TYR 479.A OH no hydrogen 3.395 N/A THR 583.A OG1 SER 592.A O no hydrogen 2.884 N/A SER 584.A OG TRP 620.A O no hydrogen 2.658 N/A ASP 586.A N SER 584.A OG no hydrogen 3.040 N/A LEU 589.A N ASP 586.A O no hydrogen 3.030 N/A GLN 590.A N ASP 586.A O no hydrogen 2.857 N/A GLN 590.A NE2 ASP 587.A O no hydrogen 3.066 N/A SER 591.A N SER 584.A O no hydrogen 2.698 N/A SER 592.A N LEU 589.A O no hydrogen 3.005 N/A ILE 594.A N LEU 582.A O no hydrogen 2.754 N/A LEU 596.A N VAL 580.A O no hydrogen 2.914 N/A THR 598.A OG1 LEU 596.A O no hydrogen 3.190 N/A GLN 599.A N TYR 611.A O no hydrogen 3.011 N/A LYS 601.A N VAL 609.A O no hydrogen 2.961 N/A ASN 603.A N ASP 607.A O no hydrogen 2.906 N/A GLY 606.A N ASN 603.A O no hydrogen 2.998 N/A VAL 609.A N LYS 601.A O no hydrogen 2.725 N/A LEU 610.A N TYR 563.A O no hydrogen 2.809 N/A TYR 611.A N GLN 599.A O no hydrogen 2.748 N/A ILE 612.A N VAL 561.A O no hydrogen 2.802 N/A GLN 613.A N ALA 597.A O no hydrogen 2.788 N/A VAL 614.A N LEU 559.A O no hydrogen 2.846 N/A LEU 617.A N GLN 556.A O no hydrogen 2.884 N/A THR 618.A OG1 GLU 555.A OE2 no hydrogen 2.513 N/A LEU 619.A N ASP 586.A OD2 no hydrogen 2.853 N/A TRP 620.A N ASP 586.A OD2 no hydrogen 2.992 N/A TRP 620.A NE1 GLN 530.A OE1 no hydrogen 2.840 N/A ASP 621.A N LEU 531.A O no hydrogen 2.988 N/A MET 622.A N THR 583.A O no hydrogen 2.935 N/A ILE 623.A N ILE 529.A O no hydrogen 2.906 N/A TYR 624.A N TYR 581.A O no hydrogen 2.808 N/A TYR 624.A OH GLU 44.A OE1 no hydrogen 3.417 N/A ILE 625.A N ARG 527.A O no hydrogen 2.745 N/A LEU 626.A N GLN 579.A O no hydrogen 3.136 N/A GLU 627.A N ASP 525.A O no hydrogen 3.072 N/A