Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mwt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 6.A N LYS 2.A O no hydrogen 3.349 N/A THR 7.A N SER 3.A O no hydrogen 3.081 N/A THR 7.A OG1 SER 3.A O no hydrogen 3.479 N/A GLN 8.A N PHE 4.A O no hydrogen 2.846 N/A GLN 8.A NE2 THR 193.A O no hydrogen 3.318 N/A SER 9.A N LEU 5.A O no hydrogen 3.083 N/A SER 9.A OG LEU 5.A O no hydrogen 2.418 N/A LEU 10.A N TRP 6.A O no hydrogen 2.816 N/A ARG 11.A N THR 7.A O no hydrogen 2.908 N/A ARG 11.A NH1 TYR 192.A O no hydrogen 3.030 N/A ARG 11.A NH2 TYR 192.A O no hydrogen 2.969 N/A ARG 12.A N GLN 8.A O no hydrogen 2.984 N/A GLU 13.A N SER 9.A O no hydrogen 2.948 N/A LEU 14.A N LEU 10.A O no hydrogen 2.890 N/A SER 15.A OG ARG 12.A O no hydrogen 3.479 N/A TYR 17.A N LEU 14.A O no hydrogen 2.983 N/A CYS 18.A N SER 15.A O no hydrogen 2.880 N/A CYS 18.A SG LEU 14.A O no hydrogen 3.665 N/A CYS 18.A SG MET 247.A O no hydrogen 3.311 N/A SER 19.A N THR 250.A OG1 no hydrogen 3.197 N/A SER 19.A OG THR 250.A O no hydrogen 3.037 N/A LYS 22.A N ASP 243.A OD1 no hydrogen 3.045 N/A VAL 25.A N ILE 21.A O no hydrogen 2.924 N/A VAL 26.A N LYS 22.A O no hydrogen 3.001 N/A LYS 27.A N LEU 23.A O no hydrogen 2.991 N/A ASP 28.A N GLN 24.A O no hydrogen 3.212 N/A ALA 29.A N VAL 25.A O no hydrogen 2.879 N/A GLN 30.A N VAL 26.A O no hydrogen 2.886 N/A ALA 31.A N LYS 27.A O no hydrogen 2.950 N/A LEU 32.A N ASP 28.A O no hydrogen 2.994 N/A LEU 33.A N ALA 29.A O no hydrogen 3.103 N/A HIS 34.A N GLN 30.A O no hydrogen 3.141 N/A GLY 35.A N LEU 32.A O no hydrogen 2.987 N/A LEU 36.A N LEU 32.A O no hydrogen 2.724 N/A SER 39.A N ASP 37.A OD1 no hydrogen 3.022 N/A SER 39.A OG ASP 37.A OD1 no hydrogen 2.736 N/A SER 39.A OG ASP 37.A OD2 no hydrogen 3.193 N/A GLU 40.A N ASP 37.A O no hydrogen 3.062 N/A VAL 41.A N ASP 37.A O no hydrogen 3.258 N/A SER 42.A N PHE 38.A O no hydrogen 2.843 N/A ASN 43.A N SER 39.A O no hydrogen 2.957 N/A ASN 43.A ND2 GLU 40.A OE2 no hydrogen 3.248 N/A VAL 44.A N GLU 40.A O no hydrogen 2.838 N/A GLN 45.A N VAL 41.A O no hydrogen 2.951 N/A GLN 45.A NE2 GLN 173.A OE1 no hydrogen 2.889 N/A GLN 45.A NE2 TYR 227.A O no hydrogen 2.775 N/A ARG 46.A N SER 42.A O no hydrogen 3.115 N/A ARG 46.A NE ASN 43.A OD1 no hydrogen 3.098 N/A ARG 46.A NH2 ASN 43.A OD1 no hydrogen 2.864 N/A LEU 47.A N ASN 43.A O no hydrogen 2.978 N/A MET 48.A N VAL 44.A O no hydrogen 2.881 N/A ARG 49.A N ARG 46.A O no hydrogen 3.174 N/A LYS 50.A N LEU 47.A O no hydrogen 3.236 N/A LYS 50.A NZ ASP 57.A OD1 no hydrogen 3.270 N/A ARG 53.A N VAL 146.A O no hydrogen 2.631 N/A ARG 53.A NE LYS 50.A O no hydrogen 3.281 N/A ARG 53.A NH1 ASN 223.A OD1 no hydrogen 3.192 N/A ARG 53.A NH2 ASN 223.A OD1 no hydrogen 3.484 N/A ASP 54.A N ASP 57.A OD2 no hydrogen 2.867 N/A ASP 57.A N ASP 54.A OD1 no hydrogen 2.983 N/A LEU 58.A N ASP 54.A O no hydrogen 2.954 N/A LYS 59.A N ASP 55.A O no hydrogen 2.789 N/A LYS 59.A NZ ASP 63.A OD2 no hydrogen 3.037 N/A ARG 60.A N ASN 56.A O no hydrogen 3.248 N/A ARG 60.A NH1 GLU 40.A OE1 no hydrogen 2.843 N/A ARG 60.A NH1 GLU 40.A OE2 no hydrogen 3.238 N/A LEU 61.A N ASP 57.A O no hydrogen 3.257 N/A ARG 62.A N LEU 58.A O no hydrogen 2.886 N/A ARG 62.A NH1 LEU 154.A O no hydrogen 3.087 N/A ASP 63.A N LYS 59.A O no hydrogen 2.741 N/A LEU 64.A N ARG 60.A O no hydrogen 2.800 N/A ASN 65.A N LEU 61.A O no hydrogen 2.932 N/A ASN 65.A ND2 GLN 158.A O no hydrogen 3.025 N/A ASN 65.A ND2 GLN 158.A OE1 no hydrogen 2.922 N/A GLN 66.A N ARG 62.A O no hydrogen 2.985 N/A GLN 66.A NE2 SER 308.A OG no hydrogen 3.306 N/A ALA 67.A N ASP 63.A O no hydrogen 3.049 N/A VAL 68.A N LEU 64.A O no hydrogen 2.862 N/A ASN 69.A N ASN 65.A O no hydrogen 2.791 N/A ASN 69.A ND2 GLN 66.A OE1 no hydrogen 3.536 N/A ASN 70.A N GLN 66.A O no hydrogen 2.852 N/A LEU 71.A N VAL 68.A O no hydrogen 3.009 N/A GLU 73.A N ASP 28.A OD1 no hydrogen 2.731 N/A GLU 73.A N ASP 28.A OD2 no hydrogen 3.247 N/A LEU 74.A N ASP 28.A OD2 no hydrogen 3.003 N/A LYS 75.A N GLU 73.A O no hydrogen 3.063 N/A LYS 75.A NZ VAL 72.A O no hydrogen 3.334 N/A SER 76.A N SER 305.A O no hydrogen 2.887 N/A THR 77.A N ASP 298.A O no hydrogen 2.787 N/A GLN 78.A NE2 THR 310.A O no hydrogen 3.285 N/A LYS 80.A NZ GLU 315.A O no hydrogen 3.245 N/A SER 81.A N ASN 316.A O no hydrogen 2.871 N/A LEU 83.A N VAL 318.A O no hydrogen 2.608 N/A GLY 86.A N LEU 88.A O no hydrogen 2.760 N/A THR 89.A N ASP 92.A OD2 no hydrogen 2.862 N/A ASP 92.A N THR 89.A OG1 no hydrogen 3.158 N/A LEU 93.A N THR 89.A O no hydrogen 2.954 N/A LEU 94.A N SER 90.A O no hydrogen 3.320 N/A ILE 95.A N ASP 91.A O no hydrogen 3.034 N/A LEU 96.A N ASP 92.A O no hydrogen 2.884 N/A ALA 97.A N LEU 93.A O no hydrogen 2.832 N/A ALA 98.A N LEU 94.A O no hydrogen 3.034 N/A ASP 99.A N ILE 95.A O no hydrogen 2.815 N/A LEU 100.A N LEU 96.A O no hydrogen 2.806 N/A GLU 101.A N ALA 97.A O no hydrogen 3.151 N/A LYS 102.A N ALA 98.A O no hydrogen 3.050 N/A LEU 103.A N ASP 99.A O no hydrogen 2.867 N/A LYS 104.A N LEU 100.A O no hydrogen 2.966 N/A LYS 104.A NZ ASP 509.A O no hydrogen 3.351 N/A SER 105.A OG SER 326.A O no hydrogen 2.787 N/A SER 105.A OG THR 330.A OG1 no hydrogen 2.736 N/A LYS 106.A N LYS 102.A O no hydrogen 3.021 N/A LYS 106.A NZ THR 279.A O no hydrogen 2.727 N/A LYS 106.A NZ GLU 282.A O no hydrogen 3.043 N/A LYS 106.A NZ GLU 287.A OE1 no hydrogen 3.149 N/A LYS 106.A NZ GLU 287.A OE2 no hydrogen 3.414 N/A VAL 107.A N LEU 103.A O no hydrogen 2.955 N/A ILE 108.A N LYS 104.A O no hydrogen 2.890 N/A ARG 109.A N SER 105.A O no hydrogen 3.063 N/A ARG 109.A NH1 ASP 333.A OD2 no hydrogen 3.053 N/A ARG 109.A NH2 ASP 278.A O no hydrogen 2.838 N/A THR 110.A N VAL 107.A O no hydrogen 2.984 N/A THR 110.A OG1 LYS 106.A O no hydrogen 2.817 N/A THR 110.A OG1 GLY 281.A O no hydrogen 3.467 N/A GLU 111.A N VAL 107.A O no hydrogen 2.847 N/A ARG 112.A N ILE 108.A O no hydrogen 2.618 N/A ARG 112.A NH1 VAL 505.A O no hydrogen 3.023 N/A ARG 112.A NH2 ALA 504.A O no hydrogen 2.901 N/A ARG 112.A NH2 VAL 505.A O no hydrogen 3.135 N/A SER 115.A N ARG 112.A O no hydrogen 3.116 N/A SER 115.A OG ARG 112.A O no hydrogen 3.211 N/A ALA 116.A N ARG 112.A O no hydrogen 2.870 N/A GLY 117.A N PRO 113.A O no hydrogen 2.863 N/A VAL 118.A N VAL 144.A O no hydrogen 2.712 N/A TYR 119.A N LEU 336.A O no hydrogen 2.933 N/A TYR 119.A OH ASN 341.A OD1 no hydrogen 3.289 N/A MET 120.A N GLY 142.A O no hydrogen 2.782 N/A ASN 122.A N TYR 119.A OH no hydrogen 3.025 N/A SER 124.A N GLN 127.A OE1 no hydrogen 2.989 N/A SER 124.A OG GLN 127.A OE1 no hydrogen 3.285 N/A GLN 127.A N SER 124.A OG no hydrogen 3.062 N/A LEU 128.A N SER 124.A O no hydrogen 2.782 N/A ASP 129.A N SER 125.A O no hydrogen 2.749 N/A GLN 130.A N GLN 126.A O no hydrogen 3.009 N/A ARG 131.A N GLN 127.A O no hydrogen 3.084 N/A ARG 131.A NH1 TYR 119.A O no hydrogen 3.031 N/A ARG 132.A N LEU 128.A O no hydrogen 3.037 N/A ALA 133.A N ASP 129.A O no hydrogen 3.038 N/A LEU 134.A N GLN 130.A O no hydrogen 3.170 N/A LEU 135.A N ARG 131.A O no hydrogen 2.963 N/A ASN 136.A N ARG 132.A O no hydrogen 3.010 N/A MET 137.A N ALA 133.A O no hydrogen 3.028 N/A ILE 138.A N LEU 134.A O no hydrogen 3.086 N/A ILE 138.A N LEU 135.A O no hydrogen 3.221 N/A MET 140.A N LEU 135.A O no hydrogen 2.842 N/A VAL 143.A N ASP 141.A OD1 no hydrogen 3.155 N/A VAL 144.A N VAL 118.A O no hydrogen 2.707 N/A ARG 145.A NE SER 115.A O no hydrogen 2.722 N/A ARG 145.A NH2 ALA 116.A O no hydrogen 2.977 N/A VAL 146.A N LEU 114.A O no hydrogen 2.758 N/A TRP 147.A N LEU 114.A O no hydrogen 2.854 N/A ASP 148.A N ARG 53.A O no hydrogen 2.922 N/A LYS 150.A N ASP 55.A OD2 no hydrogen 2.609 N/A GLU 153.A N ASN 151.A OD1 no hydrogen 3.067 N/A LEU 154.A N ASN 151.A O no hydrogen 3.063 N/A LEU 155.A N ALA 152.A O no hydrogen 2.897 N/A ASN 156.A N GLU 153.A O no hydrogen 3.250 N/A ASN 157.A ND2 ILE 309.A O no hydrogen 2.995 N/A ASN 157.A ND2 GLY 311.A O no hydrogen 2.927 N/A GLN 158.A N LEU 155.A O no hydrogen 3.282 N/A GLN 158.A NE2 ASN 156.A O no hydrogen 2.901 N/A GLN 158.A NE2 THR 307.A O no hydrogen 2.983 N/A THR 166.A N MET 162.A O no hydrogen 2.954 N/A THR 166.A OG1 MET 162.A O no hydrogen 3.341 N/A LEU 167.A N PRO 163.A O no hydrogen 2.967 N/A ALA 168.A N SER 164.A O no hydrogen 2.964 N/A CYS 169.A N LEU 165.A O no hydrogen 2.792 N/A CYS 169.A SG LEU 165.A O no hydrogen 3.362 N/A LEU 170.A N THR 166.A O no hydrogen 2.920 N/A THR 171.A N LEU 167.A O no hydrogen 3.235 N/A THR 171.A OG1 LEU 167.A O no hydrogen 2.857 N/A LYS 172.A N ALA 168.A O no hydrogen 3.013 N/A GLN 173.A N CYS 169.A O no hydrogen 2.756 N/A GLN 173.A NE2 GLN 45.A OE1 no hydrogen 2.943 N/A GLY 174.A N LEU 170.A O no hydrogen 2.690 N/A GLN 175.A N LYS 172.A O no hydrogen 3.319 N/A VAL 176.A N THR 171.A O no hydrogen 3.138 N/A ALA 181.A N ASP 177.A O no hydrogen 3.423 N/A VAL 182.A N LEU 178.A O no hydrogen 3.041 N/A GLN 183.A N ASN 179.A O no hydrogen 2.966 N/A ALA 184.A N ASP 180.A O no hydrogen 2.985 N/A LEU 185.A N ALA 181.A O no hydrogen 2.911 N/A THR 186.A N VAL 182.A O no hydrogen 2.672 N/A THR 186.A OG1 VAL 182.A O no hydrogen 2.622 N/A ASP 187.A N GLN 183.A O no hydrogen 3.029 N/A LEU 188.A N ALA 184.A O no hydrogen 3.049 N/A GLY 189.A N LEU 185.A O no hydrogen 2.820 N/A LEU 190.A N THR 186.A O no hydrogen 3.153 N/A TYR 192.A N LEU 188.A O no hydrogen 3.349 N/A TYR 192.A OH GLU 249.A OE2 no hydrogen 2.885 N/A THR 193.A N LEU 190.A O no hydrogen 3.029 N/A THR 193.A OG1 LEU 190.A O no hydrogen 2.663 N/A ALA 194.A N ILE 191.A O no hydrogen 2.897 N/A LYS 195.A N ILE 191.A O no hydrogen 3.195 N/A LYS 195.A NZ ASP 201.A OD2 no hydrogen 3.331 N/A ASN 198.A N ASP 201.A OD2 no hydrogen 2.787 N/A ASP 201.A N ASN 198.A OD1 no hydrogen 3.024 N/A LEU 202.A N ASN 198.A O no hydrogen 2.859 N/A ASP 203.A N THR 199.A O no hydrogen 2.683 N/A ARG 204.A N SER 200.A O no hydrogen 2.979 N/A LEU 205.A N ASP 201.A O no hydrogen 2.831 N/A THR 206.A OG1 LEU 202.A O no hydrogen 2.967 N/A GLN 207.A N ARG 204.A O no hydrogen 3.298 N/A HIS 209.A N LEU 205.A O no hydrogen 2.825 N/A LEU 212.A N HIS 209.A O no hydrogen 2.883 N/A ASN 213.A N PRO 210.A O no hydrogen 3.000 N/A MET 214.A N ILE 211.A O no hydrogen 3.452 N/A ILE 215.A N LEU 212.A O no hydrogen 3.047 N/A ASP 216.A N PHE 229.A O no hydrogen 2.894 N/A THR 217.A N ILE 215.A O no hydrogen 3.114 N/A SER 220.A OG GLU 282.A OE2 no hydrogen 3.343 N/A SER 221.A N GLU 282.A OE2 no hydrogen 2.973 N/A SER 221.A OG GLU 282.A OE2 no hydrogen 3.010 N/A ASN 223.A ND2 GLY 139.A O no hydrogen 2.773 N/A SER 225.A N ASN 228.A OD1 no hydrogen 2.962 N/A SER 225.A OG ASN 228.A OD1 no hydrogen 2.942 N/A TYR 227.A N SER 225.A OG no hydrogen 3.137 N/A TYR 227.A OH ASN 65.A OD1 no hydrogen 2.685 N/A ASN 228.A N SER 225.A O no hydrogen 3.068 N/A ALA 233.A N SER 230.A OG no hydrogen 3.012 N/A ALA 234.A N SER 230.A O no hydrogen 3.139 N/A VAL 235.A N LEU 231.A O no hydrogen 2.756 N/A LYS 236.A N GLY 232.A O no hydrogen 3.101 N/A LYS 236.A NZ THR 161.A O no hydrogen 3.263 N/A LYS 236.A NZ THR 161.A OG1 no hydrogen 3.034 N/A LYS 236.A NZ TYR 302.A O no hydrogen 2.807 N/A ALA 237.A N ALA 233.A O no hydrogen 2.872 N/A GLY 238.A N ALA 234.A O no hydrogen 2.593 N/A ALA 239.A N VAL 235.A O no hydrogen 2.844 N/A CYS 240.A N ALA 237.A O no hydrogen 3.174 N/A CYS 240.A SG LYS 236.A O no hydrogen 3.514 N/A MET 241.A N GLY 238.A O no hydrogen 3.169 N/A GLU 249.A N GLU 249.A OE1 no hydrogen 2.815 N/A THR 250.A N MET 247.A O no hydrogen 3.194 N/A THR 250.A OG1 SER 19.A O no hydrogen 3.257 N/A THR 250.A OG1 MET 247.A O no hydrogen 2.884 N/A ILE 251.A N LEU 248.A O no hydrogen 3.003 N/A VAL 253.A N GLY 299.A O no hydrogen 2.900 N/A SER 254.A N THR 257.A OG1 no hydrogen 3.007 N/A SER 254.A OG THR 257.A OG1 no hydrogen 3.178 N/A THR 257.A N SER 254.A O no hydrogen 2.951 N/A THR 257.A N SER 254.A OG no hydrogen 3.226 N/A THR 257.A OG1 SER 254.A O no hydrogen 3.409 N/A THR 257.A OG1 SER 254.A OG no hydrogen 3.178 N/A ILE 261.A N THR 257.A O no hydrogen 3.070 N/A LEU 262.A N MET 258.A O no hydrogen 2.891 N/A LYS 263.A N ASP 259.A O no hydrogen 2.871 N/A LYS 263.A NZ ASP 92.A OD1 no hydrogen 3.561 N/A LYS 263.A NZ ASP 92.A OD2 no hydrogen 2.777 N/A SER 264.A N GLY 260.A O no hydrogen 3.011 N/A SER 264.A OG GLU 13.A OE2 no hydrogen 3.130 N/A SER 264.A OG GLY 260.A O no hydrogen 3.286 N/A ILE 265.A N ILE 261.A O no hydrogen 3.131 N/A LEU 266.A N LEU 262.A O no hydrogen 3.180 N/A LYS 267.A N LYS 263.A O no hydrogen 3.076 N/A VAL 268.A N SER 264.A O no hydrogen 2.945 N/A LYS 269.A N ILE 265.A O no hydrogen 2.810 N/A LYS 269.A NZ ASP 99.A OD1 no hydrogen 3.271 N/A LYS 269.A NZ ASP 99.A OD2 no hydrogen 2.520 N/A LYS 270.A N LEU 266.A O no hydrogen 2.904 N/A LYS 270.A N LYS 267.A O no hydrogen 3.124 N/A ALA 271.A N LYS 267.A O no hydrogen 3.264 N/A LEU 272.A N VAL 268.A O no hydrogen 3.019 N/A MET 274.A N LYS 269.A O no hydrogen 3.112 N/A SER 277.A N GLU 287.A OE2 no hydrogen 3.038 N/A THR 279.A N SER 277.A OG no hydrogen 2.991 N/A THR 279.A OG1 SER 277.A OG no hydrogen 3.263 N/A GLY 281.A N THR 110.A OG1 no hydrogen 2.757 N/A ARG 283.A NH2 GLU 111.A OE2 no hydrogen 3.107 N/A ASN 284.A N GLU 287.A OE1 no hydrogen 2.718 N/A ASN 284.A ND2 PHE 275.A O no hydrogen 3.154 N/A TYR 286.A OH ASP 99.A OD2 no hydrogen 2.544 N/A GLU 287.A N ASN 284.A OD1 no hydrogen 2.973 N/A ASN 288.A N ASN 284.A O no hydrogen 2.843 N/A ILE 289.A N PRO 285.A O no hydrogen 2.950 N/A LEU 290.A N TYR 286.A O no hydrogen 2.961 N/A TYR 291.A N GLU 287.A O no hydrogen 2.977 N/A LYS 292.A N ASN 288.A O no hydrogen 3.044 N/A LYS 292.A NZ ASN 288.A OD1 no hydrogen 3.033 N/A ILE 293.A N ILE 289.A O no hydrogen 2.981 N/A CYS 294.A N LEU 290.A O no hydrogen 2.971 N/A CYS 294.A SG LEU 290.A O no hydrogen 3.557 N/A LEU 295.A N TYR 291.A O no hydrogen 3.107 N/A SER 296.A N ILE 293.A O no hydrogen 3.429 N/A SER 296.A OG THR 77.A O no hydrogen 2.652 N/A SER 296.A OG ASP 298.A O no hydrogen 3.272 N/A GLY 297.A N GLN 79.A O no hydrogen 3.189 N/A ASP 298.A N SER 296.A OG no hydrogen 3.141 N/A GLY 299.A N VAL 253.A O no hydrogen 2.998 N/A TRP 300.A N SER 76.A OG no hydrogen 3.368 N/A ILE 303.A N TRP 300.A O no hydrogen 3.342 N/A ALA 304.A N TRP 300.A O no hydrogen 3.138 N/A SER 305.A N LEU 74.A O no hydrogen 2.842 N/A SER 305.A OG ASN 69.A OD1 no hydrogen 2.872 N/A ARG 306.A NE ALA 304.A O no hydrogen 2.946 N/A ARG 306.A NH2 ALA 304.A O no hydrogen 3.485 N/A THR 307.A OG1 ASN 65.A O no hydrogen 3.460 N/A ILE 309.A N ARG 306.A O no hydrogen 2.994 N/A THR 310.A N GLN 78.A OE1 no hydrogen 2.822 N/A THR 310.A OG1 GLN 78.A OE1 no hydrogen 2.687 N/A ARG 312.A N GLU 315.A OE1 no hydrogen 3.158 N/A ARG 312.A NH1 GLU 111.A OE1 no hydrogen 2.979 N/A ARG 312.A NH1 TYR 291.A OH no hydrogen 3.044 N/A ARG 312.A NH2 GLU 111.A OE1 no hydrogen 3.094 N/A GLU 315.A N ARG 312.A O no hydrogen 2.912 N/A ASN 316.A N ARG 312.A O no hydrogen 2.923 N/A ASN 316.A ND2 LEU 295.A O no hydrogen 2.885 N/A ASN 316.A ND2 THR 310.A O no hydrogen 3.172 N/A THR 317.A N ALA 313.A O no hydrogen 3.068 N/A THR 317.A OG1 CYS 294.A O no hydrogen 2.697 N/A VAL 318.A N SER 81.A O no hydrogen 2.781 N/A ASP 320.A N LEU 83.A O no hydrogen 2.882 N/A THR 324.A N GLN 327.A OE1 no hydrogen 3.004 N/A THR 324.A OG1 GLU 101.A OE1 no hydrogen 3.244 N/A THR 324.A OG1 GLU 101.A OE2 no hydrogen 3.322 N/A THR 324.A OG1 GLN 327.A OE1 no hydrogen 3.325 N/A TYR 325.A OH ASP 278.A OD2 no hydrogen 2.375 N/A GLN 327.A N THR 324.A OG1 no hydrogen 3.177 N/A GLN 327.A NE2 GLN 400.A OE1 no hydrogen 3.298 N/A LEU 328.A N THR 324.A O no hydrogen 2.941 N/A MET 329.A N TYR 325.A O no hydrogen 3.083 N/A THR 330.A N SER 326.A O no hydrogen 3.019 N/A THR 330.A OG1 SER 105.A OG no hydrogen 2.736 N/A THR 330.A OG1 SER 326.A O no hydrogen 3.173 N/A LEU 331.A N GLN 327.A O no hydrogen 2.920 N/A LYS 332.A N LEU 328.A O no hydrogen 2.886 N/A ASP 333.A N MET 329.A O no hydrogen 3.157 N/A ALA 334.A N THR 330.A O no hydrogen 2.821 N/A MET 335.A N LEU 331.A O no hydrogen 2.958 N/A LEU 336.A N ASP 333.A O no hydrogen 3.111 N/A GLN 337.A N ALA 334.A O no hydrogen 3.259 N/A LEU 338.A N MET 335.A O no hydrogen 3.141 N/A ASP 339.A N GLN 362.A OE1 no hydrogen 2.981 N/A ASN 341.A N ASP 339.A OD1 no hydrogen 2.661 N/A ALA 342.A N ASP 339.A O no hydrogen 3.162 N/A THR 344.A OG1 ALA 342.A O no hydrogen 2.884 N/A TRP 345.A N TYR 361.A O no hydrogen 2.802 N/A TRP 345.A NE1 ASP 491.A OD1 no hydrogen 2.860 N/A MET 346.A N THR 418.A O no hydrogen 3.017 N/A ASP 347.A N ALA 359.A O no hydrogen 3.084 N/A GLU 349.A N GLU 357.A O no hydrogen 2.807 N/A ASP 354.A N ARG 351.A O no hydrogen 2.719 N/A VAL 356.A N GLU 349.A O no hydrogen 2.762 N/A GLU 357.A N GLU 349.A O no hydrogen 3.235 N/A ILE 358.A N PHE 371.A O no hydrogen 2.880 N/A ALA 359.A N ASP 347.A O no hydrogen 2.912 N/A LEU 360.A N ILE 369.A O no hydrogen 3.107 N/A TYR 361.A N TRP 345.A O no hydrogen 2.974 N/A GLN 362.A N CYS 367.A O no hydrogen 3.080 N/A GLN 362.A NE2 ASP 339.A O no hydrogen 2.932 N/A GLN 362.A NE2 THR 344.A OG1 no hydrogen 2.752 N/A GLY 366.A N GLN 362.A O no hydrogen 2.937 N/A CYS 367.A N SER 365.A OG no hydrogen 3.210 N/A CYS 367.A SG GLN 362.A OE1 no hydrogen 3.481 N/A CYS 367.A SG SER 365.A OG no hydrogen 3.552 N/A TYR 368.A N ARG 503.A O no hydrogen 2.907 N/A ILE 369.A N LEU 360.A O no hydrogen 2.871 N/A HIS 370.A NE2 GLU 357.A OE2 no hydrogen 2.340 N/A PHE 371.A N ILE 358.A O no hydrogen 3.144 N/A ARG 373.A N VAL 356.A O no hydrogen 2.875 N/A ARG 373.A NH1 ASP 354.A OD1 no hydrogen 2.698 N/A ARG 373.A NH1 PRO 355.A O no hydrogen 2.938 N/A ARG 373.A NH2 ASP 354.A OD1 no hydrogen 3.306 N/A THR 376.A N ASP 354.A OD1 no hydrogen 2.910 N/A THR 376.A N ASP 354.A OD2 no hydrogen 2.944 N/A THR 376.A OG1 ASP 354.A OD1 no hydrogen 2.926 N/A THR 376.A OG1 ASP 354.A OD2 no hydrogen 3.087 N/A ASP 377.A N ASP 354.A OD2 no hydrogen 2.839 N/A GLN 380.A N ASP 377.A OD1 no hydrogen 3.269 N/A GLN 380.A NE2 ASP 384.A OD1 no hydrogen 2.814 N/A PHE 381.A N ASP 377.A O no hydrogen 3.117 N/A LYS 382.A N LEU 378.A O no hydrogen 2.961 N/A GLN 383.A N LYS 379.A O no hydrogen 3.332 N/A ASP 384.A N GLN 380.A O no hydrogen 2.875 N/A ALA 385.A N PHE 381.A O no hydrogen 2.827 N/A LYS 386.A N LYS 382.A O no hydrogen 3.239 N/A TYR 387.A N GLN 383.A O no hydrogen 3.318 N/A SER 388.A N ASP 384.A O no hydrogen 2.595 N/A SER 388.A OG GLU 349.A OE1 no hydrogen 3.276 N/A SER 388.A OG HIS 481.A ND1 no hydrogen 2.975 N/A HIS 389.A N ASP 384.A O no hydrogen 3.059 N/A GLY 390.A N ALA 385.A O no hydrogen 3.067 N/A ILE 391.A N HIS 389.A ND1 no hydrogen 3.312 N/A THR 394.A N ASP 392.A OD1 no hydrogen 3.357 N/A THR 394.A OG1 ASP 392.A OD1 no hydrogen 3.059 N/A THR 394.A OG1 ASP 392.A OD2 no hydrogen 3.255 N/A ASP 395.A N ASP 392.A O no hydrogen 2.651 N/A LEU 396.A N VAL 393.A O no hydrogen 2.960 N/A THR 399.A N LEU 396.A O no hydrogen 3.268 N/A THR 399.A OG1 LEU 396.A O no hydrogen 2.735 N/A GLN 400.A N VAL 511.A O no hydrogen 2.692 N/A GLN 400.A NE2 PRO 401.A O no hydrogen 2.922 N/A SER 405.A OG GLY 402.A O no hydrogen 3.321 N/A ALA 406.A N GLY 402.A O no hydrogen 3.247 N/A VAL 407.A N LEU 403.A O no hydrogen 2.560 N/A ILE 408.A N THR 404.A O no hydrogen 3.050 N/A ASP 409.A N SER 405.A O no hydrogen 2.870 N/A ALA 410.A N ALA 406.A O no hydrogen 3.166 N/A ALA 410.A N VAL 407.A O no hydrogen 2.908 N/A LEU 411.A N VAL 407.A O no hydrogen 2.912 N/A ASN 414.A N ASP 436.A OD2 no hydrogen 3.143 N/A ILE 417.A N LYS 438.A O no hydrogen 3.042 N/A THR 418.A N THR 344.A O no hydrogen 2.649 N/A CYS 419.A N ILE 440.A O no hydrogen 2.922 N/A CYS 419.A SG GLY 421.A O no hydrogen 3.986 N/A CYS 419.A SG ILE 440.A O no hydrogen 3.715 N/A GLN 420.A NE2 LEU 444.A O no hydrogen 2.833 N/A GLY 421.A N ASP 441.A OD1 no hydrogen 3.161 N/A SER 422.A N ASP 441.A OD2 no hydrogen 2.922 N/A SER 422.A OG ASP 441.A OD2 no hydrogen 3.450 N/A ILE 425.A N ASP 424.A OD1 no hydrogen 2.845 N/A ARG 426.A N SER 422.A O no hydrogen 2.913 N/A ARG 426.A NH2 SER 422.A OG no hydrogen 3.417 N/A LYS 427.A N ASP 423.A O no hydrogen 3.083 N/A LEU 428.A N ASP 424.A O no hydrogen 3.167 N/A LEU 429.A N ILE 425.A O no hydrogen 2.955 N/A GLU 430.A N ARG 426.A O no hydrogen 2.918 N/A SER 431.A N LYS 427.A O no hydrogen 3.090 N/A SER 431.A OG LEU 428.A O no hydrogen 2.814 N/A GLN 432.A N LEU 429.A O no hydrogen 2.939 N/A GLN 432.A NE2 SER 431.A OG no hydrogen 3.354 N/A GLY 433.A N GLU 430.A O no hydrogen 2.781 N/A ARG 434.A N LEU 429.A O no hydrogen 3.263 N/A ARG 434.A NE ASP 436.A OD1 no hydrogen 2.805 N/A ARG 434.A NH1 ILE 408.A O no hydrogen 3.064 N/A ARG 434.A NH1 LEU 411.A O no hydrogen 2.650 N/A ARG 434.A NH2 LEU 411.A O no hydrogen 3.414 N/A ARG 434.A NH2 PRO 412.A O no hydrogen 3.441 N/A ARG 434.A NH2 ASP 436.A OD1 no hydrogen 3.195 N/A ARG 434.A NH2 ASP 436.A OD2 no hydrogen 2.694 N/A LYS 438.A N MET 415.A O no hydrogen 3.365 N/A ILE 440.A N ILE 417.A O no hydrogen 2.769 N/A ILE 442.A N CYS 419.A O no hydrogen 2.819 N/A ALA 443.A N ASP 441.A OD1 no hydrogen 3.156 N/A LEU 444.A N GLN 420.A OE1 no hydrogen 2.837 N/A ASP 448.A N SER 445.A OG no hydrogen 3.083 N/A SER 449.A N SER 445.A O no hydrogen 2.740 N/A SER 449.A OG SER 445.A O no hydrogen 3.539 N/A SER 449.A OG LYS 446.A O no hydrogen 2.760 N/A ARG 450.A N THR 447.A O no hydrogen 3.316 N/A ARG 450.A NH1 GLU 453.A OE2 no hydrogen 3.160 N/A ARG 450.A NH1 ASP 486.A OD1 no hydrogen 3.046 N/A ARG 450.A NH2 ASP 486.A OD1 no hydrogen 3.402 N/A ARG 450.A NH2 ASP 486.A OD2 no hydrogen 3.077 N/A LYS 451.A N ASP 448.A O no hydrogen 3.244 N/A GLU 453.A N ARG 450.A O no hydrogen 2.932 N/A VAL 456.A N TYR 452.A O no hydrogen 2.821 N/A TRP 457.A N GLU 453.A O no hydrogen 3.318 N/A ASP 458.A N ASN 454.A O no hydrogen 3.042 N/A GLN 459.A N ALA 455.A O no hydrogen 3.197 N/A TYR 460.A N VAL 456.A O no hydrogen 2.791 N/A TYR 460.A N TRP 457.A O no hydrogen 3.256 N/A TYR 460.A OH SER 500.A O no hydrogen 2.607 N/A LYS 461.A N TRP 457.A O no hydrogen 2.941 N/A LYS 461.A NZ LYS 461.A O no hydrogen 3.119 N/A LYS 461.A NZ CYS 464.A O no hydrogen 3.215 N/A LYS 461.A NZ HIS 465.A ND1 no hydrogen 3.375 N/A LEU 463.A N TYR 460.A O no hydrogen 2.873 N/A CYS 464.A N LYS 461.A O no hydrogen 3.142 N/A CYS 464.A SG GLU 357.A OE2 no hydrogen 3.496 N/A HIS 467.A ND1 HIS 389.A O no hydrogen 2.473 N/A THR 468.A N GLY 390.A O no hydrogen 2.874 N/A GLY 469.A N GLY 390.A O no hydrogen 2.538 N/A VAL 472.A N LYS 386.A O no hydrogen 3.121 N/A GLU 473.A N GLU 476.A O no hydrogen 2.792 N/A GLU 476.A N GLU 473.A O no hydrogen 2.978 N/A ILE 478.A N VAL 471.A O no hydrogen 2.735 N/A HIS 481.A N SER 388.A O no hydrogen 2.679 N/A HIS 481.A ND1 SER 388.A OG no hydrogen 2.975 N/A CYS 482.A SG GLU 357.A OE2 no hydrogen 3.725 N/A ALA 483.A N GLU 357.A OE1 no hydrogen 3.031 N/A ASP 486.A N CYS 482.A O no hydrogen 2.990 N/A CYS 487.A N ALA 483.A O no hydrogen 3.094 N/A CYS 487.A SG ALA 359.A O no hydrogen 3.744 N/A CYS 487.A SG ALA 483.A O no hydrogen 3.498 N/A ILE 488.A N LEU 484.A O no hydrogen 3.199 N/A MET 489.A N MET 485.A O no hydrogen 2.896 N/A PHE 490.A N ASP 486.A O no hydrogen 2.980 N/A ASP 491.A N CYS 487.A O no hydrogen 3.153 N/A ALA 492.A N ILE 488.A O no hydrogen 2.854 N/A ALA 493.A N MET 489.A O no hydrogen 2.993 N/A VAL 494.A N PHE 490.A O no hydrogen 3.088 N/A SER 495.A N ASP 491.A O no hydrogen 2.903 N/A SER 495.A OG ASP 491.A O no hydrogen 3.013 N/A GLY 496.A N ALA 493.A O no hydrogen 3.352 N/A GLY 497.A N ALA 492.A O no hydrogen 3.267 N/A SER 500.A N GLN 459.A OE1 no hydrogen 2.876 N/A SER 500.A OG VAL 501.A O no hydrogen 3.169 N/A ARG 503.A N GLY 366.A O no hydrogen 2.934 N/A ARG 503.A NH2 ASP 148.A OD1 no hydrogen 3.088 N/A VAL 505.A N TYR 368.A O no hydrogen 2.624 N/A MET 510.A N PRO 507.A O no hydrogen 2.933 N/A VAL 511.A N PRO 507.A O no hydrogen 3.357 N/A PHE 512.A N ARG 508.A O no hydrogen 2.958 N/A ARG 513.A N ALA 398.A O no hydrogen 2.648 N/A ARG 513.A NE PHE 397.A O no hydrogen 2.913 N/A ARG 513.A NH2 PHE 397.A O no hydrogen 2.809 N/A