Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8jaw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A N GLN 78.A OE1 no hydrogen 2.680 N/A THR 5.A OG1 GLN 78.A OE1 no hydrogen 3.135 N/A LYS 6.A N GLN 78.A OE1 no hydrogen 2.820 N/A LYS 6.A NZ GLU 49.A OE2 no hydrogen 2.976 N/A LYS 6.A NZ SER 75.A O no hydrogen 2.887 N/A VAL 7.A N GLN 29.A O no hydrogen 2.819 N/A LEU 8.A N ALA 79.A O no hydrogen 2.877 N/A ILE 9.A N VAL 31.A O no hydrogen 2.866 N/A ALA 10.A N HIS 81.A O no hydrogen 2.931 N/A ASN 11.A ND2 PRO 82.A O no hydrogen 2.807 N/A ASN 11.A ND2 CYS 84.A O no hydrogen 2.816 N/A ARG 12.A N ASN 11.A OD1 no hydrogen 2.784 N/A ARG 12.A NE ASP 38.A OD2 no hydrogen 3.002 N/A ARG 12.A NH2 ASP 38.A OD1 no hydrogen 3.159 N/A CYS 17.A N GLY 13.A O no hydrogen 3.334 N/A CYS 17.A SG GLY 13.A O no hydrogen 3.561 N/A ARG 18.A N GLU 14.A O no hydrogen 2.969 N/A ARG 18.A NH1 ARG 18.A O no hydrogen 2.939 N/A ARG 18.A NH1 THR 22.A OG1 no hydrogen 2.867 N/A ARG 18.A NH2 THR 22.A OG1 no hydrogen 3.327 N/A ARG 18.A NH2 ASP 288.A OD1 no hydrogen 2.737 N/A ARG 18.A NH2 ASP 288.A OD2 no hydrogen 3.336 N/A VAL 19.A N ILE 15.A O no hydrogen 2.989 N/A MET 20.A N ALA 16.A O no hydrogen 2.983 N/A ARG 21.A N CYS 17.A O no hydrogen 2.950 N/A ARG 21.A NE CYS 17.A O no hydrogen 3.272 N/A THR 22.A N ARG 18.A O no hydrogen 3.351 N/A THR 22.A OG1 ASP 288.A OD1 no hydrogen 3.326 N/A THR 22.A OG1 ASP 288.A OD2 no hydrogen 3.252 N/A ALA 23.A N VAL 19.A O no hydrogen 3.157 N/A LYS 24.A N MET 20.A O no hydrogen 2.862 N/A LYS 24.A NZ THR 30.A OG1 no hydrogen 2.890 N/A LYS 24.A NZ MET 46.A O no hydrogen 2.841 N/A LYS 24.A NZ ASP 48.A OD1 no hydrogen 3.440 N/A LYS 24.A NZ ASP 48.A OD2 no hydrogen 3.432 N/A LYS 25.A N ARG 21.A O no hydrogen 3.090 N/A LEU 26.A N ALA 23.A O no hydrogen 2.998 N/A GLY 27.A N LYS 24.A O no hydrogen 3.111 N/A VAL 28.A N ALA 23.A O no hydrogen 2.847 N/A GLN 29.A N THR 5.A O no hydrogen 2.757 N/A GLN 29.A NE2 GLU 49.A OE1 no hydrogen 3.253 N/A THR 30.A N ASP 48.A OD2 no hydrogen 2.911 N/A THR 30.A OG1 ASP 48.A OD2 no hydrogen 2.965 N/A VAL 31.A N VAL 7.A O no hydrogen 2.952 N/A ALA 32.A N GLU 49.A O no hydrogen 2.805 N/A TYR 34.A N TYR 51.A O no hydrogen 2.914 N/A SER 35.A OG ASP 38.A OD2 no hydrogen 2.858 N/A SER 35.A OG TYR 364.A OH no hydrogen 2.869 N/A ASP 38.A N SER 35.A O no hydrogen 3.079 N/A ARG 39.A N GLU 36.A O no hydrogen 3.407 N/A SER 41.A N ASP 38.A O no hydrogen 3.006 N/A HIS 43.A NE2 VAL 33.A O no hydrogen 3.174 N/A ASP 45.A N SER 41.A O no hydrogen 3.350 N/A MET 46.A N MET 42.A O no hydrogen 2.985 N/A ALA 47.A N HIS 43.A O no hydrogen 3.231 N/A ALA 47.A N VAL 44.A O no hydrogen 3.334 N/A ASP 48.A N THR 30.A OG1 no hydrogen 3.352 N/A GLU 49.A N THR 30.A O no hydrogen 3.165 N/A TYR 51.A N ALA 32.A O no hydrogen 2.987 N/A ILE 53.A N TYR 34.A O no hydrogen 3.017 N/A GLN 60.A N PRO 57.A O no hydrogen 2.922 N/A SER 61.A N SER 58.A O no hydrogen 3.140 N/A SER 61.A OG PRO 55.A O no hydrogen 3.155 N/A SER 61.A OG PRO 57.A O no hydrogen 3.049 N/A TYR 62.A OH ASP 38.A OD2 no hydrogen 2.816 N/A LEU 63.A N SER 58.A O no hydrogen 2.840 N/A SER 64.A N SER 61.A O no hydrogen 2.885 N/A LYS 67.A NZ ILE 53.A O no hydrogen 2.869 N/A LYS 67.A NZ GLN 60.A O no hydrogen 2.734 N/A ILE 68.A N SER 64.A O no hydrogen 3.158 N/A ILE 69.A N MET 65.A O no hydrogen 2.959 N/A GLN 70.A N GLU 66.A O no hydrogen 2.895 N/A GLN 70.A NE2 THR 74.A OG1 no hydrogen 3.201 N/A VAL 71.A N LYS 67.A O no hydrogen 2.949 N/A ALA 72.A N ILE 68.A O no hydrogen 2.952 N/A LYS 73.A N ILE 69.A O no hydrogen 2.967 N/A LYS 73.A NZ GLU 100.A OE2 no hydrogen 2.952 N/A THR 74.A N GLN 70.A O no hydrogen 2.905 N/A THR 74.A OG1 GLN 70.A O no hydrogen 3.107 N/A SER 75.A N VAL 71.A O no hydrogen 2.847 N/A SER 75.A OG VAL 71.A O no hydrogen 2.716 N/A SER 75.A OG ALA 72.A O no hydrogen 3.330 N/A ALA 76.A N LYS 73.A O no hydrogen 3.161 N/A ALA 77.A N ALA 72.A O no hydrogen 2.973 N/A GLN 78.A N LYS 6.A O no hydrogen 3.302 N/A GLN 78.A NE2 THR 5.A OG1 no hydrogen 3.187 N/A ILE 80.A N ILE 103.A O no hydrogen 2.829 N/A HIS 81.A N LEU 8.A O no hydrogen 2.813 N/A GLY 83.A N HIS 81.A ND1 no hydrogen 3.027 N/A SER 88.A N GLY 85.A O no hydrogen 3.052 N/A SER 88.A OG GLY 85.A O no hydrogen 2.654 N/A ASN 90.A N LEU 87.A O no hydrogen 3.208 N/A GLU 92.A N GLU 92.A OE2 no hydrogen 2.792 N/A PHE 93.A N ASN 90.A OD1 no hydrogen 2.719 N/A ALA 94.A N ASN 90.A O no hydrogen 3.189 N/A GLU 95.A N MET 91.A O no hydrogen 3.047 N/A LEU 96.A N GLU 92.A O no hydrogen 2.908 N/A CYS 97.A N PHE 93.A O no hydrogen 2.972 N/A CYS 97.A SG PHE 93.A O no hydrogen 3.428 N/A LYS 98.A N ALA 94.A O no hydrogen 3.133 N/A GLN 99.A N GLU 95.A O no hydrogen 2.817 N/A GLU 100.A N LEU 96.A O no hydrogen 2.931 N/A GLY 101.A N LYS 98.A O no hydrogen 3.081 N/A ILE 102.A N CYS 97.A O no hydrogen 2.802 N/A ILE 103.A N GLN 78.A O no hydrogen 2.903 N/A ILE 105.A N ILE 80.A O no hydrogen 2.921 N/A ILE 112.A N PRO 108.A O no hydrogen 3.195 N/A ARG 113.A N PRO 109.A O no hydrogen 2.869 N/A ARG 113.A NE ASP 114.A OD1 no hydrogen 2.997 N/A ARG 113.A NH2 ASP 114.A OD1 no hydrogen 3.032 N/A ASP 114.A N SER 110.A O no hydrogen 2.862 N/A MET 115.A N ALA 111.A O no hydrogen 2.876 N/A GLY 116.A N ILE 112.A O no hydrogen 3.009 N/A ILE 117.A N ARG 113.A O no hydrogen 3.256 N/A SER 121.A N ILE 117.A O no hydrogen 2.971 N/A SER 121.A OG ILE 117.A O no hydrogen 3.070 N/A SER 121.A OG LYS 118.A O no hydrogen 2.820 N/A LYS 122.A N LYS 118.A O no hydrogen 2.909 N/A SER 123.A N SER 119.A O no hydrogen 2.815 N/A SER 123.A OG SER 119.A O no hydrogen 2.751 N/A ILE 124.A N THR 120.A O no hydrogen 3.055 N/A MET 125.A N SER 121.A O no hydrogen 2.828 N/A ALA 126.A N LYS 122.A O no hydrogen 2.739 N/A ALA 127.A N SER 123.A O no hydrogen 3.042 N/A ALA 128.A N ILE 124.A O no hydrogen 2.698 N/A GLY 129.A N ALA 126.A O no hydrogen 2.885 N/A VAL 130.A N MET 125.A O no hydrogen 3.063 N/A TYR 136.A N ILE 180.A O no hydrogen 2.648 N/A GLN 141.A NE2 GLU 139.A O no hydrogen 2.657 N/A GLN 141.A NE2 MET 178.A O no hydrogen 3.090 N/A SER 142.A N ASP 140.A OD1 no hydrogen 3.430 N/A CYS 145.A SG TYR 136.A OH no hydrogen 3.341 N/A CYS 145.A SG ASP 140.A OD2 no hydrogen 3.523 N/A LEU 146.A N SER 142.A O no hydrogen 2.954 N/A LYS 147.A N ASP 143.A O no hydrogen 2.963 N/A GLU 148.A N GLN 144.A O no hydrogen 2.932 N/A HIS 149.A N CYS 145.A O no hydrogen 2.985 N/A ALA 150.A N LEU 146.A O no hydrogen 2.953 N/A ARG 151.A N LYS 147.A O no hydrogen 3.046 N/A ARG 151.A NE LYS 147.A O no hydrogen 3.110 N/A ARG 152.A N GLU 148.A O no hydrogen 3.036 N/A ILE 153.A N HIS 149.A O no hydrogen 2.953 N/A GLY 154.A N ALA 150.A O no hydrogen 2.943 N/A VAL 157.A N VAL 162.A O no hydrogen 2.949 N/A ILE 159.A N ARG 160.A O no hydrogen 3.123 N/A ARG 160.A NE SER 174.A OG no hydrogen 3.032 N/A ARG 160.A NH2 SER 174.A OG no hydrogen 3.207 N/A VAL 162.A N VAL 157.A O no hydrogen 2.816 N/A ARG 163.A N GLU 167.A OE2 no hydrogen 3.123 N/A SER 164.A OG GLU 167.A OE1 no hydrogen 2.624 N/A PHE 168.A N GLU 165.A O no hydrogen 3.382 N/A GLN 169.A NE2 ASP 143.A OD2 no hydrogen 2.783 N/A GLN 169.A NE2 GLU 173.A OE1 no hydrogen 2.946 N/A GLN 171.A N GLU 167.A O no hydrogen 3.146 N/A LEU 172.A N PHE 168.A O no hydrogen 2.917 N/A GLU 173.A N GLN 169.A O no hydrogen 3.037 N/A SER 174.A N GLU 170.A O no hydrogen 2.978 N/A ALA 175.A N GLN 171.A O no hydrogen 2.883 N/A ARG 176.A N LEU 172.A O no hydrogen 2.918 N/A ARG 177.A N GLU 173.A O no hydrogen 2.986 N/A ILE 180.A N TYR 136.A O no hydrogen 3.405 N/A GLU 181.A N MET 158.A O no hydrogen 2.898 N/A LYS 182.A NZ GLY 154.A O no hydrogen 2.949 N/A LYS 182.A NZ TYR 155.A O no hydrogen 3.223 N/A PHE 183.A N PRO 156.A O no hydrogen 3.134 N/A ARG 188.A NH1 PRO 226.A O no hydrogen 3.129 N/A ARG 188.A NH2 PRO 226.A O no hydrogen 3.370 N/A HIS 189.A N SER 211.A OG no hydrogen 3.147 N/A VAL 190.A N PHE 257.A O no hydrogen 3.007 N/A GLU 191.A N ARG 208.A O no hydrogen 3.226 N/A VAL 192.A N VAL 255.A O no hydrogen 2.835 N/A VAL 194.A N GLY 253.A O no hydrogen 3.285 N/A PHE 195.A N VAL 203.A O no hydrogen 3.256 N/A GLY 196.A N GLY 251.A O no hydrogen 3.461 N/A ASP 197.A N ASN 201.A O no hydrogen 2.963 N/A GLY 200.A N ASP 197.A O no hydrogen 2.935 N/A ASN 201.A N ASP 197.A OD1 no hydrogen 2.623 N/A VAL 203.A N PHE 195.A O no hydrogen 3.139 N/A TYR 204.A N GLN 306.A OE1 no hydrogen 2.691 N/A LEU 205.A N GLN 193.A O no hydrogen 2.807 N/A GLU 207.A N GLU 207.A OE2 no hydrogen 2.739 N/A ARG 208.A N GLU 191.A O no hydrogen 2.845 N/A ARG 208.A NH1 GLN 193.A OE1 no hydrogen 2.905 N/A ASP 209.A N GLU 222.A O no hydrogen 2.909 N/A CYS 210.A N HIS 189.A O no hydrogen 3.333 N/A CYS 210.A SG GLU 191.A OE1 no hydrogen 3.368 N/A CYS 210.A SG GLU 277.A OE1 no hydrogen 3.217 N/A SER 211.A N ASP 209.A OD2 no hydrogen 3.355 N/A SER 211.A OG ASP 209.A OD1 no hydrogen 2.771 N/A SER 211.A OG ASP 209.A OD2 no hydrogen 3.044 N/A ARG 214.A N GLN 217.A O no hydrogen 2.865 N/A GLN 217.A N ARG 214.A O no hydrogen 2.743 N/A GLN 217.A NE2 GLU 323.A OE1 no hydrogen 3.092 N/A LYS 218.A NZ GLU 277.A OE1 no hydrogen 2.849 N/A LYS 218.A NZ GLU 277.A OE2 no hydrogen 2.939 N/A ILE 219.A N VAL 212.A O no hydrogen 3.446 N/A GLU 221.A N GLU 317.A O no hydrogen 2.946 N/A GLU 222.A N ASP 209.A O no hydrogen 3.201 N/A ALA 223.A N ALA 315.A O no hydrogen 2.980 N/A ARG 233.A N LYS 229.A O no hydrogen 2.731 N/A ARG 233.A NE GLU 207.A OE1 no hydrogen 3.205 N/A ARG 233.A NE GLU 207.A OE2 no hydrogen 2.868 N/A ARG 233.A NH1 ILE 228.A O no hydrogen 3.204 N/A ARG 233.A NH2 GLU 207.A OE1 no hydrogen 3.093 N/A ARG 233.A NH2 ILE 228.A O no hydrogen 3.145 N/A LYS 234.A N SER 230.A O no hydrogen 3.179 N/A LYS 235.A N GLU 231.A O no hydrogen 3.064 N/A LYS 235.A NZ GLU 231.A OE1 no hydrogen 3.540 N/A LEU 236.A N VAL 232.A O no hydrogen 2.774 N/A GLY 237.A N ARG 233.A O no hydrogen 3.141 N/A GLU 238.A N LYS 234.A O no hydrogen 2.952 N/A ALA 239.A N LYS 235.A O no hydrogen 3.021 N/A ALA 240.A N LEU 236.A O no hydrogen 3.234 N/A VAL 241.A N GLY 237.A O no hydrogen 2.789 N/A ARG 242.A N GLU 238.A O no hydrogen 2.831 N/A ALA 243.A N ALA 239.A O no hydrogen 2.964 N/A ALA 244.A N ALA 240.A O no hydrogen 2.871 N/A LYS 245.A N VAL 241.A O no hydrogen 2.973 N/A ALA 246.A N ARG 242.A O no hydrogen 2.979 N/A VAL 247.A N ALA 243.A O no hydrogen 3.119 N/A ASN 248.A N LYS 245.A O no hydrogen 2.981 N/A TYR 249.A N ALA 244.A O no hydrogen 2.815 N/A TYR 249.A OH ALA 252.A O no hydrogen 2.893 N/A GLY 251.A N GLY 196.A O no hydrogen 3.088 N/A THR 254.A N ASN 271.A O no hydrogen 3.176 N/A THR 254.A OG1 GLN 193.A OE1 no hydrogen 3.295 N/A VAL 255.A N VAL 192.A O no hydrogen 2.965 N/A GLU 256.A N GLU 269.A O no hydrogen 3.095 N/A PHE 257.A N VAL 190.A O no hydrogen 2.852 N/A ILE 258.A N CYS 266.A O no hydrogen 2.757 N/A MET 259.A N ARG 188.A O no hydrogen 3.133 N/A ASN 264.A N SER 261.A O no hydrogen 3.106 N/A CYS 266.A N ILE 258.A O no hydrogen 3.047 N/A CYS 266.A SG VAL 132.A O no hydrogen 3.481 N/A CYS 266.A SG PHE 265.A O no hydrogen 3.439 N/A PHE 267.A N PRO 131.A O no hydrogen 2.687 N/A MET 268.A N GLU 256.A O no hydrogen 3.239 N/A ASN 271.A N THR 254.A O no hydrogen 3.003 N/A ASN 271.A ND2 GLU 269.A OE2 no hydrogen 3.142 N/A ASN 271.A ND2 MET 270.A O no hydrogen 3.143 N/A GLN 275.A NE2 GLU 256.A OE1 no hydrogen 3.332 N/A GLN 275.A NE2 ASN 271.A OD1 no hydrogen 3.310 N/A HIS 278.A N GLN 275.A O no hydrogen 3.281 N/A HIS 278.A ND1 GLU 282.A OE1 no hydrogen 3.125 N/A THR 281.A OG1 PHE 206.A O no hydrogen 3.486 N/A GLU 282.A N HIS 278.A O no hydrogen 3.278 N/A MET 283.A N PRO 279.A O no hydrogen 3.138 N/A ILE 284.A N VAL 280.A O no hydrogen 3.266 N/A THR 285.A N THR 281.A O no hydrogen 3.045 N/A THR 285.A OG1 THR 281.A O no hydrogen 2.812 N/A THR 285.A OG1 GLU 282.A O no hydrogen 3.418 N/A THR 285.A OG1 THR 287.A OG1 no hydrogen 3.007 N/A THR 287.A N GLU 282.A O no hydrogen 3.176 N/A THR 287.A OG1 THR 285.A OG1 no hydrogen 3.007 N/A LEU 289.A N GLU 282.A OE1 no hydrogen 3.222 N/A GLU 291.A N ASP 288.A OD1 no hydrogen 2.942 N/A TRP 292.A N ASP 288.A O no hydrogen 3.133 N/A GLN 293.A N LEU 289.A O no hydrogen 2.820 N/A LEU 294.A N VAL 290.A O no hydrogen 2.991 N/A ARG 295.A N GLU 291.A O no hydrogen 2.999 N/A ARG 295.A NE GLU 291.A OE1 no hydrogen 3.015 N/A ARG 295.A NH2 GLU 291.A OE1 no hydrogen 3.292 N/A ILE 296.A N TRP 292.A O no hydrogen 2.829 N/A ALA 297.A N GLN 293.A O no hydrogen 2.861 N/A ALA 298.A N LEU 294.A O no hydrogen 3.122 N/A GLY 299.A N ARG 295.A O no hydrogen 3.151 N/A GLU 300.A N ARG 295.A O no hydrogen 3.002 N/A ILE 302.A N ASP 197.A OD2 no hydrogen 3.464 N/A SER 305.A N GLU 308.A OE2 no hydrogen 2.968 N/A SER 305.A OG GLU 307.A OE2 no hydrogen 3.159 N/A GLN 306.A NE2 TYR 204.A O no hydrogen 3.115 N/A GLN 306.A NE2 GLN 306.A O no hydrogen 3.439 N/A GLU 308.A N SER 305.A OG no hydrogen 3.361 N/A ILE 309.A N SER 305.A O no hydrogen 3.084 N/A GLN 312.A N ILE 284.A O no hydrogen 3.164 N/A HIS 314.A N ALA 375.A O no hydrogen 2.662 N/A ALA 315.A N ALA 223.A O no hydrogen 2.804 N/A PHE 316.A N VAL 373.A O no hydrogen 3.118 N/A GLU 317.A N GLU 221.A O no hydrogen 2.713 N/A ALA 318.A N LEU 371.A O no hydrogen 2.921 N/A ARG 319.A NH2 GLU 277.A OE2 no hydrogen 2.781 N/A ILE 320.A N ALA 369.A O no hydrogen 2.800 N/A TYR 321.A N ASN 400.A OD1 no hydrogen 2.820 N/A ASP 324.A N MET 330.A O no hydrogen 2.738 N/A ASN 327.A N ASP 324.A OD2 no hydrogen 3.336 N/A PHE 329.A N PRO 325.A O no hydrogen 3.412 N/A MET 330.A N ASP 324.A O no hydrogen 3.145 N/A LEU 336.A N ASP 358.A O no hydrogen 2.892 N/A HIS 338.A N VAL 395.A O no hydrogen 3.350 N/A SER 340.A N ASN 393.A O no hydrogen 2.867 N/A THR 341.A OG1 PRO 342.A O no hydrogen 3.080 N/A ASP 345.A N THR 348.A O no hydrogen 2.986 N/A SER 347.A OG TRP 374.A O no hydrogen 3.515 N/A THR 348.A N ASP 345.A OD1 no hydrogen 2.803 N/A THR 348.A OG1 ASP 345.A OD1 no hydrogen 3.364 N/A THR 348.A OG1 ASP 345.A OD2 no hydrogen 3.290 N/A ARG 349.A N VAL 372.A O no hydrogen 2.689 N/A ARG 349.A NE GLU 351.A OE1 no hydrogen 2.861 N/A ARG 349.A NH1 GLU 282.A OE2 no hydrogen 3.088 N/A ARG 349.A NH2 GLU 282.A OE2 no hydrogen 3.054 N/A GLU 351.A N LYS 370.A O no hydrogen 2.686 N/A THR 352.A OG1 VAL 354.A O no hydrogen 3.320 N/A THR 352.A OG1 ILE 368.A O no hydrogen 3.275 N/A VAL 354.A N THR 352.A OG1 no hydrogen 3.158 N/A ARG 355.A N ASP 358.A OD2 no hydrogen 3.009 N/A ARG 355.A NE ASP 358.A OD1 no hydrogen 3.402 N/A ARG 355.A NE ASP 358.A OD2 no hydrogen 3.173 N/A ARG 355.A NH1 ASP 45.A OD2 no hydrogen 3.320 N/A ARG 355.A NH2 ASN 40.A O no hydrogen 3.021 N/A ARG 355.A NH2 ASP 358.A OD1 no hydrogen 3.266 N/A ARG 355.A NH2 ASP 358.A OD2 no hydrogen 3.306 N/A GLN 356.A NE2 VAL 337.A O no hydrogen 3.110 N/A GLY 357.A N LEU 336.A O no hydrogen 2.899 N/A ASP 358.A N ARG 355.A O no hydrogen 2.995 N/A VAL 360.A N GLY 334.A O no hydrogen 2.955 N/A TYR 364.A N SER 361.A O no hydrogen 3.451 N/A TYR 364.A OH SER 35.A OG no hydrogen 2.869 N/A MET 367.A N ASP 365.A OD2 no hydrogen 3.228 N/A ILE 368.A N ILE 320.A O no hydrogen 2.888 N/A ALA 369.A N ILE 320.A O no hydrogen 3.409 N/A LYS 370.A N GLU 351.A O no hydrogen 2.658 N/A LYS 370.A NZ VAL 276.A O no hydrogen 2.922 N/A LEU 371.A N ALA 318.A O no hydrogen 2.818 N/A VAL 372.A N ARG 349.A O no hydrogen 2.720 N/A VAL 373.A N PHE 316.A O no hydrogen 3.142 N/A TRP 374.A NE1 GLN 312.A O no hydrogen 2.897 N/A ALA 375.A N HIS 314.A O no hydrogen 2.928 N/A ARG 378.A NE GLU 222.A OE1 no hydrogen 2.970 N/A ARG 378.A NH2 GLU 222.A OE1 no hydrogen 2.919 N/A ARG 378.A NH2 GLU 222.A OE2 no hydrogen 3.567 N/A ALA 380.A N ASP 377.A OD2 no hydrogen 2.970 N/A ALA 381.A N ASP 377.A O no hydrogen 3.012 N/A LEU 382.A N ARG 378.A O no hydrogen 2.905 N/A THR 383.A N GLN 379.A O no hydrogen 2.928 N/A THR 383.A OG1 GLN 379.A O no hydrogen 2.794 N/A LYS 384.A N ALA 380.A O no hydrogen 3.011 N/A LEU 385.A N ALA 381.A O no hydrogen 2.857 N/A ARG 386.A N LEU 382.A O no hydrogen 3.042 N/A ARG 386.A NH2 LEU 405.A O no hydrogen 2.845 N/A TYR 387.A N THR 383.A O no hydrogen 2.982 N/A SER 388.A N LYS 384.A O no hydrogen 2.805 N/A SER 388.A OG LYS 384.A O no hydrogen 3.029 N/A LEU 389.A N LEU 385.A O no hydrogen 2.752 N/A ARG 390.A N ARG 386.A O no hydrogen 3.076 N/A GLN 391.A N SER 388.A O no hydrogen 3.068 N/A TYR 392.A N SER 388.A O no hydrogen 3.096 N/A TYR 392.A N LEU 389.A O no hydrogen 2.945 N/A ASN 393.A N SER 340.A O no hydrogen 2.930 N/A ASN 393.A ND2 ARG 390.A O no hydrogen 3.318 N/A VAL 395.A N HIS 338.A O no hydrogen 2.966 N/A ASN 400.A N TYR 321.A O no hydrogen 3.346 N/A ASN 400.A ND2 ARG 319.A O no hydrogen 3.220 N/A PHE 403.A N ASP 402.A OD1 no hydrogen 2.853 N/A LEU 404.A N ASN 400.A O no hydrogen 2.997 N/A LEU 405.A N ILE 401.A O no hydrogen 3.063 N/A ASN 406.A N ASP 402.A O no hydrogen 3.066 N/A ASN 406.A ND2 LEU 430.A O no hydrogen 2.866 N/A LEU 407.A N PHE 403.A O no hydrogen 2.907 N/A SER 408.A N LEU 404.A O no hydrogen 2.964 N/A SER 408.A OG LEU 404.A O no hydrogen 3.031 N/A SER 408.A OG LEU 405.A O no hydrogen 2.723 N/A GLY 409.A N LEU 405.A O no hydrogen 2.959 N/A HIS 410.A N ASN 406.A O no hydrogen 3.012 N/A HIS 410.A N LEU 407.A O no hydrogen 3.208 N/A GLU 412.A N HIS 410.A ND1 no hydrogen 3.060 N/A GLU 414.A N HIS 410.A O no hydrogen 3.428 N/A ALA 415.A N PRO 411.A O no hydrogen 3.002 N/A GLY 416.A N GLU 412.A O no hydrogen 3.073 N/A GLY 416.A N PHE 413.A O no hydrogen 3.040 N/A ASN 417.A N GLU 412.A O no hydrogen 3.259 N/A ASN 417.A ND2 GLU 412.A OE2 no hydrogen 2.997 N/A THR 420.A OG1 SER 211.A O no hydrogen 3.234 N/A PHE 422.A N HIS 419.A O no hydrogen 3.150 N/A GLN 425.A N ASP 421.A O no hydrogen 2.790 N/A HIS 426.A N PHE 422.A O no hydrogen 2.987 N/A HIS 427.A N PRO 424.A O no hydrogen 3.357 N/A LEU 430.A N HIS 426.A O no hydrogen 2.915 N/A LEU 431.A N HIS 427.A O no hydrogen 3.196 N/A ALA 437.A N ASP 491.A OD2 no hydrogen 2.980 N/A LYS 439.A NZ GLU 513.A OE2 no hydrogen 3.052 N/A GLU 440.A N GLU 440.A OE2 no hydrogen 2.822 N/A LEU 442.A N ALA 438.A O no hydrogen 3.253 N/A CYS 443.A N LYS 439.A O no hydrogen 2.895 N/A CYS 443.A SG LYS 439.A O no hydrogen 3.488 N/A GLN 444.A N GLU 440.A O no hydrogen 3.074 N/A ALA 445.A N SER 441.A O no hydrogen 3.093 N/A ALA 446.A N LEU 442.A O no hydrogen 3.029 N/A LEU 447.A N CYS 443.A O no hydrogen 3.008 N/A GLY 448.A N GLN 444.A O no hydrogen 2.981 N/A LEU 449.A N ALA 445.A O no hydrogen 3.120 N/A ILE 450.A N ALA 446.A O no hydrogen 3.070 N/A LEU 451.A N LEU 447.A O no hydrogen 2.827 N/A LYS 452.A N GLY 448.A O no hydrogen 2.979 N/A GLU 453.A N LEU 449.A O no hydrogen 3.073 N/A LYS 454.A N ILE 450.A O no hydrogen 3.069 N/A ALA 455.A N LEU 451.A O no hydrogen 3.037 N/A MET 456.A N LYS 452.A O no hydrogen 3.065 N/A THR 457.A N GLU 453.A O no hydrogen 2.961 N/A THR 457.A OG1 GLU 453.A O no hydrogen 2.859 N/A ASP 458.A N LYS 454.A O no hydrogen 2.973 N/A THR 459.A N ALA 455.A O no hydrogen 2.977 N/A THR 459.A OG1 ALA 455.A O no hydrogen 3.124 N/A PHE 460.A N MET 456.A O no hydrogen 3.261 N/A THR 461.A N THR 457.A O no hydrogen 3.102 N/A THR 461.A OG1 THR 457.A O no hydrogen 2.788 N/A LEU 462.A N ASP 458.A O no hydrogen 3.211 N/A LEU 462.A N THR 459.A O no hydrogen 3.212 N/A ALA 464.A N PHE 460.A O no hydrogen 3.113 N/A GLN 467.A N HIS 465.A O no hydrogen 3.074 N/A SER 469.A OG ASP 466.A O no hydrogen 3.501 N/A SER 472.A N SER 469.A O no hydrogen 3.207 N/A SER 472.A OG SER 469.A O no hydrogen 2.646 N/A SER 473.A N PRO 470.A O no hydrogen 3.168 N/A THR 484.A OG1 THR 501.A OG1 no hydrogen 2.937 N/A ARG 485.A N VAL 500.A O no hydrogen 2.728 N/A ARG 485.A NH1 GLU 453.A OE2 no hydrogen 3.020 N/A ARG 485.A NH1 TYR 502.A OH no hydrogen 3.210 N/A ARG 485.A NH2 GLU 453.A OE1 no hydrogen 3.075 N/A MET 487.A N ILE 498.A O no hydrogen 2.977 N/A LEU 489.A N VAL 496.A O no hydrogen 2.963 N/A LYS 490.A N ASP 564.A O no hydrogen 2.839 N/A ASP 491.A N ASN 494.A O no hydrogen 2.839 N/A ASN 494.A N ASP 491.A O no hydrogen 2.852 N/A VAL 496.A N LEU 489.A O no hydrogen 2.728 N/A ILE 498.A N MET 487.A O no hydrogen 2.816 N/A ALA 499.A N GLN 511.A O no hydrogen 3.101 N/A VAL 500.A N ARG 485.A O no hydrogen 2.899 N/A THR 501.A N SER 509.A O no hydrogen 2.831 N/A THR 501.A OG1 THR 484.A OG1 no hydrogen 2.937 N/A TYR 502.A N TYR 483.A O no hydrogen 3.047 N/A ASN 503.A N SER 507.A O no hydrogen 3.051 N/A ASN 503.A ND2 SER 507.A OG no hydrogen 2.900 N/A ASN 503.A ND2 SER 509.A OG no hydrogen 2.737 N/A GLY 506.A N ASN 503.A O no hydrogen 3.182 N/A SER 507.A N ASP 505.A OD1 no hydrogen 2.964 N/A SER 507.A OG ASP 505.A OD1 no hydrogen 2.793 N/A SER 507.A OG ASP 505.A OD2 no hydrogen 3.291 N/A TYR 508.A N VAL 519.A O no hydrogen 2.878 N/A SER 509.A N THR 501.A O no hydrogen 3.006 N/A SER 509.A OG GLN 518.A OE1 no hydrogen 2.685 N/A MET 510.A N PHE 517.A O no hydrogen 2.801 N/A GLN 511.A N ALA 499.A O no hydrogen 2.920 N/A GLN 511.A NE2 GLU 513.A O no hydrogen 3.072 N/A ILE 512.A N LYS 515.A O no hydrogen 2.994 N/A LYS 515.A N ILE 512.A O no hydrogen 3.042 N/A PHE 517.A N MET 510.A O no hydrogen 2.733 N/A GLN 518.A N ASN 537.A OD1 no hydrogen 2.934 N/A VAL 519.A N TYR 508.A O no hydrogen 2.839 N/A LEU 520.A N SER 535.A O no hydrogen 3.035 N/A ASN 522.A N LYS 533.A O no hydrogen 2.939 N/A TYR 524.A N TYR 531.A O no hydrogen 2.938 N/A GLU 526.A N CYS 529.A O no hydrogen 3.148 N/A CYS 529.A N GLU 526.A O no hydrogen 3.048 N/A TYR 531.A N TYR 524.A O no hydrogen 2.713 N/A LEU 532.A N ALA 543.A O no hydrogen 2.717 N/A LYS 533.A N ASN 522.A O no hydrogen 3.024 N/A CYS 534.A N SER 541.A O no hydrogen 3.009 N/A CYS 534.A SG SER 541.A O no hydrogen 3.729 N/A CYS 534.A SG SER 541.A OG no hydrogen 3.109 N/A SER 535.A N LEU 520.A O no hydrogen 2.774 N/A VAL 536.A N VAL 539.A O no hydrogen 2.815 N/A ASN 537.A N GLN 518.A O no hydrogen 2.855 N/A ASN 537.A ND2 THR 516.A O no hydrogen 3.677 N/A VAL 539.A N VAL 536.A O no hydrogen 2.970 N/A SER 541.A N CYS 534.A O no hydrogen 2.884 N/A ALA 543.A N LEU 532.A O no hydrogen 3.109 N/A LYS 544.A N PHE 555.A O no hydrogen 2.846 N/A LYS 544.A NZ SER 340.A OG no hydrogen 3.385 N/A LYS 544.A NZ ASN 393.A OD1 no hydrogen 2.902 N/A LEU 545.A N THR 530.A O no hydrogen 3.094 N/A ILE 546.A N TYR 553.A O no hydrogen 2.961 N/A LEU 548.A N THR 551.A O no hydrogen 3.173 N/A THR 551.A N LEU 548.A O no hydrogen 3.044 N/A THR 551.A OG1 ASP 564.A OD1 no hydrogen 3.397 N/A ILE 552.A N ILE 563.A O no hydrogen 2.731 N/A TYR 553.A N ILE 546.A O no hydrogen 2.842 N/A LEU 554.A N ILE 561.A O no hydrogen 3.015 N/A PHE 555.A N LYS 544.A O no hydrogen 2.903 N/A SER 556.A N GLY 559.A O no hydrogen 3.114 N/A SER 556.A OG GLY 559.A O no hydrogen 3.042 N/A LYS 557.A NZ TYR 387.A OH no hydrogen 3.133 N/A GLY 559.A N SER 556.A OG no hydrogen 3.164 N/A ILE 561.A N LEU 554.A O no hydrogen 2.997 N/A ILE 563.A N ILE 552.A O no hydrogen 2.946 N/A ASP 564.A N LYS 490.A O no hydrogen 2.962 N/A ILE 565.A N ASN 550.A O no hydrogen 2.654 N/A SER 572.A N PRO 568.A O no hydrogen 2.999 N/A SER 572.A OG LYS 569.A O no hydrogen 2.672 N/A SER 573.A OG SER 576.A OG no hydrogen 3.360 N/A VAL 574.A N SER 572.A OG no hydrogen 3.035 N/A SER 575.A OG TYR 570.A O no hydrogen 3.077 N/A SER 576.A N SER 573.A O no hydrogen 3.088 N/A SER 576.A OG SER 573.A O no hydrogen 2.692 N/A SER 576.A OG SER 573.A OG no hydrogen 3.360 N/A GLU 578.A N VAL 574.A O no hydrogen 3.304 N/A THR 579.A N SER 575.A O no hydrogen 2.770 N/A THR 579.A OG1 SER 576.A O no hydrogen 2.654 N/A ALA 585.A N THR 643.A O no hydrogen 2.992 N/A GLY 589.A N ALA 639.A O no hydrogen 3.217 N/A ILE 591.A N ALA 637.A O no hydrogen 2.871 N/A GLU 592.A N VAL 610.A O no hydrogen 2.777 N/A LYS 593.A N VAL 610.A O no hydrogen 3.307 N/A VAL 594.A N GLU 635.A OE2 no hydrogen 3.081 N/A PHE 595.A N LEU 608.A O no hydrogen 2.693 N/A LYS 603.A N ASP 606.A OD2 no hydrogen 3.111 N/A ALA 604.A N ASP 625.A OD1 no hydrogen 2.599 N/A GLY 605.A N SER 622.A O no hydrogen 2.864 N/A ASP 606.A N LYS 603.A O no hydrogen 2.936 N/A LEU 608.A N ILE 620.A O no hydrogen 2.781 N/A VAL 610.A N LYS 593.A O no hydrogen 2.918 N/A MET 611.A N HIS 618.A O no hydrogen 2.682 N/A ILE 612.A N THR 590.A O no hydrogen 3.067 N/A ALA 613.A N MET 616.A O no hydrogen 2.955 N/A HIS 618.A N MET 611.A O no hydrogen 2.716 N/A ILE 620.A N MET 609.A O no hydrogen 2.595 N/A SER 622.A N ASP 606.A O no hydrogen 2.694 N/A SER 622.A OG LYS 624.A O no hydrogen 2.729 N/A LYS 624.A NZ GLY 581.A O no hydrogen 2.719 N/A VAL 628.A N ASP 600.A O no hydrogen 2.786 N/A LYS 630.A N GLU 647.A O no hydrogen 2.966 N/A PHE 632.A N LEU 645.A O no hydrogen 2.971 N/A TYR 633.A OH THR 643.A OG1 no hydrogen 3.292 N/A GLY 636.A N ILE 591.A O no hydrogen 2.948 N/A ALA 637.A N ARG 634.A O no hydrogen 3.291 N/A ALA 639.A N GLY 589.A O no hydrogen 3.129 N/A ARG 641.A N THR 588.A OG1 no hydrogen 3.066 N/A ARG 641.A NE PRO 586.A O no hydrogen 3.068 N/A HIS 642.A N ALA 585.A O no hydrogen 2.783 N/A THR 643.A OG1 TYR 633.A OH no hydrogen 3.292 N/A THR 643.A OG1 ASN 640.A O no hydrogen 2.689 N/A LEU 645.A N PRO 583.A O no hydrogen 3.254 N/A GLU 647.A N LYS 630.A O no hydrogen 2.768 N/A GLU 649.A N THR 627.A O no hydrogen 3.206 N/A