Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ae6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH ASP 446.A OD1 no hydrogen 2.856 N/A VAL 7.A N ILE 193.A O no hydrogen 3.193 N/A HIS 9.A N ARG 195.A O no hydrogen 2.904 N/A HIS 9.A NE2 HIS 194.A ND1 no hydrogen 3.139 N/A PHE 11.A N ARG 197.A O no hydrogen 3.007 N/A ASP 12.A N ASN 35.A O no hydrogen 2.782 N/A VAL 14.A N ASN 200.A O no hydrogen 3.029 N/A VAL 15.A N ALA 37.A O no hydrogen 2.831 N/A VAL 16.A N VAL 202.A O no hydrogen 2.757 N/A GLY 17.A N VAL 39.A O no hydrogen 3.065 N/A GLY 22.A N GLY 19.A O no hydrogen 2.810 N/A ARG 24.A N GLY 20.A O no hydrogen 2.952 N/A ARG 24.A NH1 ARG 24.A O no hydrogen 3.269 N/A ALA 25.A N ALA 21.A O no hydrogen 2.936 N/A ALA 26.A N GLY 22.A O no hydrogen 2.809 N/A PHE 27.A N LEU 23.A O no hydrogen 2.992 N/A GLY 28.A N ARG 24.A O no hydrogen 3.244 N/A LEU 29.A N ALA 25.A O no hydrogen 3.135 N/A SER 30.A N ALA 26.A O no hydrogen 3.247 N/A SER 30.A OG ALA 26.A O no hydrogen 3.485 N/A SER 30.A OG PHE 34.A O no hydrogen 3.504 N/A SER 30.A OG THR 36.A OG1 no hydrogen 3.257 N/A SER 30.A OG THR 162.A OG1 no hydrogen 2.862 N/A GLU 31.A N PHE 27.A O no hydrogen 2.816 N/A GLY 33.A N SER 30.A O no hydrogen 3.116 N/A PHE 34.A N LEU 29.A O no hydrogen 3.293 N/A ASN 35.A N ASP 12.A OD1 no hydrogen 3.090 N/A THR 36.A OG1 SER 30.A OG no hydrogen 3.257 N/A THR 36.A OG1 PHE 34.A O no hydrogen 3.017 N/A ALA 37.A N ALA 13.A O no hydrogen 2.825 N/A CYS 38.A N SER 163.A O no hydrogen 2.894 N/A CYS 38.A SG VAL 15.A O no hydrogen 3.615 N/A CYS 38.A SG GLY 17.A O no hydrogen 3.553 N/A VAL 39.A N VAL 15.A O no hydrogen 2.794 N/A THR 40.A N PHE 165.A O no hydrogen 3.135 N/A THR 40.A OG1 LEU 42.A O no hydrogen 2.662 N/A LYS 41.A NZ ASP 224.A OD1 no hydrogen 2.921 N/A LYS 41.A NZ GLU 516.A OE2 no hydrogen 3.488 N/A ARG 46.A N PHE 43.A O no hydrogen 2.666 N/A SER 47.A N PRO 44.A O no hydrogen 3.432 N/A SER 47.A OG PRO 44.A O no hydrogen 3.039 N/A VAL 50.A N SER 47.A O no hydrogen 3.433 N/A ALA 51.A N HIS 48.A O no hydrogen 3.213 N/A ALA 52.A N THR 49.A O no hydrogen 3.349 N/A GLN 53.A NE2 LEU 255.A O no hydrogen 3.109 N/A ILE 56.A N CYS 139.A O no hydrogen 2.743 N/A ASN 57.A N ALA 403.A O no hydrogen 3.096 N/A ASN 57.A ND2 GLY 402.A O no hydrogen 2.784 N/A ASN 57.A ND2 ASN 404.A OD1 no hydrogen 2.920 N/A ALA 58.A N ARG 137.A O no hydrogen 3.216 N/A LEU 60.A N ALA 58.A O no hydrogen 2.942 N/A LEU 60.A N GLN 119.A OE1 no hydrogen 3.215 N/A ASN 62.A ND2 ILE 117.A O no hydrogen 3.324 N/A GLU 64.A N GLU 64.A OE2 no hydrogen 2.631 N/A ASN 67.A N ASP 66.A OD1 no hydrogen 2.753 N/A ARG 69.A N ASN 67.A OD1 no hydrogen 2.838 N/A ARG 69.A NE ASP 602.A O no hydrogen 2.786 N/A ARG 69.A NH1 ASN 67.A OD1 no hydrogen 3.145 N/A ARG 69.A NH2 ASP 602.A OD1 no hydrogen 3.412 N/A ARG 69.A NH2 ASP 602.A OD2 no hydrogen 3.329 N/A TRP 70.A N ASN 67.A O no hydrogen 3.011 N/A PHE 72.A N TRP 68.A O no hydrogen 3.166 N/A TYR 73.A N ARG 69.A O no hydrogen 3.151 N/A ASP 74.A N TRP 70.A O no hydrogen 3.416 N/A THR 75.A N HIS 71.A O no hydrogen 3.314 N/A THR 75.A OG1 HIS 71.A O no hydrogen 2.899 N/A VAL 76.A N PHE 72.A O no hydrogen 3.054 N/A LYS 77.A N TYR 73.A O no hydrogen 2.873 N/A GLY 78.A N ASP 74.A O no hydrogen 3.013 N/A SER 79.A N THR 75.A O no hydrogen 2.936 N/A SER 79.A OG VAL 76.A O no hydrogen 2.672 N/A ASP 80.A N LYS 77.A O no hydrogen 2.874 N/A TRP 81.A NE1 VAL 606.A O no hydrogen 2.748 N/A LEU 82.A N SER 79.A O no hydrogen 3.108 N/A GLY 83.A N SER 79.A OG no hydrogen 3.211 N/A ASP 84.A N SER 394.A O no hydrogen 2.941 N/A GLN 85.A N ILE 594.A O no hydrogen 3.229 N/A GLN 85.A NE2 VAL 606.A O no hydrogen 3.319 N/A ALA 87.A N ASP 84.A O no hydrogen 3.242 N/A ALA 87.A N ASP 86.A OD1 no hydrogen 2.715 N/A ILE 88.A N ASP 84.A O no hydrogen 3.304 N/A HIS 89.A N GLN 85.A O no hydrogen 2.984 N/A TYR 90.A N ASP 86.A O no hydrogen 3.213 N/A MET 91.A N ALA 87.A O no hydrogen 2.851 N/A THR 92.A N ILE 88.A O no hydrogen 2.991 N/A THR 92.A OG1 ILE 88.A O no hydrogen 3.047 N/A THR 92.A OG1 HIS 89.A O no hydrogen 3.194 N/A GLU 93.A N HIS 89.A O no hydrogen 3.069 N/A GLN 94.A N TYR 90.A O no hydrogen 3.268 N/A SER 98.A N GLN 94.A O no hydrogen 2.739 N/A SER 98.A OG GLN 94.A O no hydrogen 3.460 N/A VAL 99.A N ALA 95.A O no hydrogen 3.350 N/A VAL 100.A N PRO 96.A O no hydrogen 3.088 N/A GLU 101.A N ALA 97.A O no hydrogen 3.198 N/A LEU 102.A N SER 98.A O no hydrogen 3.298 N/A GLU 103.A N VAL 99.A O no hydrogen 3.013 N/A ASN 104.A N VAL 100.A O no hydrogen 3.029 N/A TYR 105.A N GLU 101.A O no hydrogen 2.749 N/A GLY 106.A N LEU 102.A O no hydrogen 3.066 N/A MET 107.A N LEU 102.A O no hydrogen 3.103 N/A PHE 109.A N MET 107.A O no hydrogen 2.765 N/A SER 110.A N CYS 140.A O no hydrogen 3.079 N/A ARG 111.A NE PHE 109.A O no hydrogen 2.853 N/A ARG 111.A NH1 GLU 103.A OE2 no hydrogen 3.177 N/A ARG 111.A NH2 GLU 103.A OE2 no hydrogen 2.697 N/A THR 112.A N LYS 116.A O no hydrogen 3.021 N/A THR 112.A OG1 LYS 116.A O no hydrogen 3.395 N/A GLY 115.A N THR 112.A O no hydrogen 3.102 N/A LYS 116.A N THR 112.A OG1 no hydrogen 3.066 N/A TYR 118.A N SER 110.A O no hydrogen 2.940 N/A TYR 118.A OH GLU 263.A OE2 no hydrogen 3.092 N/A ARG 120.A N CYS 138.A O no hydrogen 2.927 N/A GLY 124.A N LEU 286.A O no hydrogen 3.064 N/A SER 126.A N ASP 74.A OD2 no hydrogen 2.787 N/A SER 126.A OG ASP 74.A OD1 no hydrogen 2.729 N/A SER 126.A OG ASP 74.A OD2 no hydrogen 2.761 N/A LEU 127.A N GLY 133.A O no hydrogen 3.241 N/A LYS 131.A N LEU 127.A O no hydrogen 3.106 N/A ALA 135.A N GLN 125.A O no hydrogen 3.396 N/A HIS 136.A N GLU 64.A OE1 no hydrogen 2.775 N/A HIS 136.A ND1 GLU 64.A OE1 no hydrogen 3.124 N/A ARG 137.A NE ASP 66.A OD2 no hydrogen 2.859 N/A ARG 137.A NH2 ASP 66.A OD1 no hydrogen 3.110 N/A ARG 137.A NH2 SER 126.A O no hydrogen 2.893 N/A CYS 138.A N ARG 120.A O no hydrogen 3.172 N/A CYS 139.A N ILE 56.A O no hydrogen 3.183 N/A CYS 139.A SG ALA 58.A O no hydrogen 3.881 N/A CYS 139.A SG ARG 137.A O no hydrogen 3.671 N/A CYS 140.A N TYR 118.A O no hydrogen 3.111 N/A CYS 140.A SG TYR 118.A O no hydrogen 4.047 N/A VAL 141.A N THR 145.A OG1 no hydrogen 3.360 N/A ARG 144.A N VAL 141.A O no hydrogen 3.041 N/A THR 145.A OG1 GLN 53.A O no hydrogen 2.783 N/A THR 145.A OG1 GLY 54.A O no hydrogen 3.217 N/A GLY 146.A N ALA 52.A O no hydrogen 3.104 N/A SER 148.A N ARG 144.A O no hydrogen 3.231 N/A LEU 149.A N THR 145.A O no hydrogen 2.794 N/A LEU 150.A N GLY 146.A O no hydrogen 2.867 N/A HIS 151.A N HIS 147.A O no hydrogen 3.088 N/A THR 152.A N SER 148.A O no hydrogen 3.034 N/A THR 152.A OG1 SER 148.A O no hydrogen 2.776 N/A THR 152.A OG1 LEU 149.A O no hydrogen 3.326 N/A LEU 153.A N LEU 149.A O no hydrogen 2.967 N/A TYR 154.A N LEU 150.A O no hydrogen 3.067 N/A GLY 155.A N HIS 151.A O no hydrogen 2.660 N/A SER 157.A N LEU 153.A O no hydrogen 3.100 N/A SER 157.A N TYR 154.A O no hydrogen 2.898 N/A SER 157.A OG TYR 154.A O no hydrogen 2.591 N/A SER 157.A OG TYR 164.A OH no hydrogen 3.105 N/A ARG 159.A N ARG 156.A O no hydrogen 3.350 N/A TYR 160.A N SER 157.A O no hydrogen 3.315 N/A THR 162.A N TYR 160.A O no hydrogen 2.808 N/A THR 162.A OG1 SER 30.A OG no hydrogen 2.862 N/A SER 163.A N THR 36.A O no hydrogen 3.055 N/A PHE 165.A N CYS 38.A O no hydrogen 2.578 N/A TYR 168.A N THR 40.A O no hydrogen 2.866 N/A PHE 169.A N LEU 186.A O no hydrogen 2.847 N/A LEU 171.A N ILE 184.A O no hydrogen 2.978 N/A LEU 174.A N GLY 182.A O no hydrogen 2.957 N/A MET 175.A N LEU 173.A O no hydrogen 2.808 N/A GLU 176.A N GLU 179.A O no hydrogen 3.181 N/A GLU 179.A N ASN 177.A O no hydrogen 2.746 N/A CYS 180.A N PRO 382.A O no hydrogen 2.837 N/A CYS 180.A SG GLY 182.A O no hydrogen 3.419 N/A CYS 180.A SG THR 201.A OG1 no hydrogen 3.416 N/A ARG 181.A N LEU 174.A O no hydrogen 3.124 N/A ARG 181.A NH1 SER 432.A O no hydrogen 2.746 N/A VAL 183.A N ILE 196.A O no hydrogen 3.003 N/A ILE 184.A N ASP 172.A O no hydrogen 3.259 N/A ALA 185.A N HIS 194.A O no hydrogen 2.819 N/A LEU 186.A N PHE 169.A O no hydrogen 2.799 N/A CYS 187.A N SER 192.A O no hydrogen 2.801 N/A CYS 187.A SG TYR 168.A OH no hydrogen 3.475 N/A CYS 187.A SG ASP 190.A OD2 no hydrogen 3.328 N/A ILE 188.A N GLU 167.A O no hydrogen 3.391 N/A ASP 190.A N CYS 187.A O no hydrogen 3.304 N/A GLY 191.A N CYS 187.A O no hydrogen 2.702 N/A SER 192.A OG ASP 190.A OD1 no hydrogen 2.787 N/A SER 192.A OG HIS 194.A NE2 no hydrogen 2.851 N/A HIS 194.A N ALA 185.A O no hydrogen 2.850 N/A HIS 194.A ND1 HIS 9.A NE2 no hydrogen 3.139 N/A HIS 194.A NE2 SER 192.A OG no hydrogen 2.851 N/A ARG 195.A N VAL 7.A O no hydrogen 3.197 N/A ILE 196.A N VAL 183.A O no hydrogen 2.837 N/A ARG 197.A N HIS 9.A O no hydrogen 3.177 N/A ARG 197.A NH1 PRO 431.A O no hydrogen 3.532 N/A ALA 198.A N ARG 181.A O no hydrogen 2.715 N/A ARG 199.A N ASP 12.A O no hydrogen 3.088 N/A THR 201.A OG1 GLY 383.A O no hydrogen 3.327 N/A VAL 202.A N VAL 14.A O no hydrogen 2.646 N/A VAL 203.A N TYR 385.A O no hydrogen 2.684 N/A ALA 204.A N VAL 16.A O no hydrogen 2.717 N/A GLY 207.A N GLU 389.A OE2 no hydrogen 3.108 N/A TYR 208.A N ASN 358.A OD1 no hydrogen 2.784 N/A TYR 208.A OH LEU 239.A O no hydrogen 2.851 N/A ARG 210.A N SER 221.A O no hydrogen 3.189 N/A ARG 210.A NE ALA 218.A O no hydrogen 3.336 N/A ARG 210.A NH2 SER 217.A O no hydrogen 3.249 N/A THR 211.A N TYR 208.A O no hydrogen 3.148 N/A THR 211.A OG1 TYR 208.A O no hydrogen 2.795 N/A TYR 212.A N GLY 209.A O no hydrogen 3.345 N/A TYR 212.A OH ALA 472.A O no hydrogen 3.254 N/A PHE 213.A N GLN 465.A O no hydrogen 3.161 N/A SER 214.A N GLN 469.A OE1 no hydrogen 3.296 N/A CYS 215.A SG GLY 209.A O no hydrogen 3.632 N/A CYS 215.A SG SER 217.A O no hydrogen 3.461 N/A CYS 215.A SG SER 217.A OG no hydrogen 3.414 N/A THR 216.A N VAL 355.A O no hydrogen 2.871 N/A THR 216.A OG1 VAL 355.A O no hydrogen 3.297 N/A THR 216.A OG1 HIS 356.A ND1 no hydrogen 3.050 N/A ALA 218.A N HIS 48.A ND1 no hydrogen 2.953 N/A SER 221.A N ALA 218.A O no hydrogen 3.285 N/A THR 222.A OG1 ASP 224.A OD1 no hydrogen 2.712 N/A THR 222.A OG1 ASP 224.A OD2 no hydrogen 3.044 N/A GLY 223.A N GLY 207.A O no hydrogen 2.939 N/A GLY 225.A N THR 205.A OG1 no hydrogen 3.019 N/A ALA 227.A N GLY 223.A O no hydrogen 3.303 N/A MET 228.A N ASP 224.A O no hydrogen 2.914 N/A VAL 229.A N GLY 225.A O no hydrogen 2.812 N/A THR 230.A N THR 226.A O no hydrogen 2.982 N/A THR 230.A OG1 GLN 526.A OE1 no hydrogen 2.905 N/A ARG 231.A N ALA 227.A O no hydrogen 2.854 N/A ARG 231.A NE ASP 172.A OD1 no hydrogen 2.623 N/A ARG 231.A NH1 ASN 519.A OD1 no hydrogen 3.112 N/A ARG 231.A NH2 LEU 171.A O no hydrogen 2.814 N/A ARG 231.A NH2 ASN 519.A OD1 no hydrogen 3.235 N/A ALA 232.A N VAL 229.A O no hydrogen 3.277 N/A GLY 233.A N THR 230.A O no hydrogen 3.099 N/A LEU 234.A N VAL 229.A O no hydrogen 3.264 N/A CYS 236.A N SER 577.A O no hydrogen 3.040 N/A CYS 236.A SG THR 226.A O no hydrogen 3.835 N/A CYS 236.A SG THR 230.A OG1 no hydrogen 3.724 N/A GLN 237.A N GLY 361.A O no hydrogen 2.691 N/A ASP 238.A N THR 575.A O no hydrogen 2.762 N/A GLU 240.A N GLU 240.A OE1 no hydrogen 2.750 N/A PHE 241.A N ASP 238.A O no hydrogen 3.382 N/A GLN 243.A N TYR 357.A O no hydrogen 2.909 N/A GLN 243.A NE2 ARG 400.A O no hydrogen 2.897 N/A HIS 245.A N THR 354.A O no hydrogen 2.867 N/A THR 247.A OG1 ILE 256.A O no hydrogen 2.676 N/A ILE 249.A N CYS 254.A O no hydrogen 2.981 N/A TYR 250.A N PRO 350.A O no hydrogen 3.340 N/A TYR 250.A OH ASP 311.A OD1 no hydrogen 3.367 N/A TYR 250.A OH ASP 311.A OD2 no hydrogen 3.054 N/A GLY 259.A N THR 257.A OG1 no hydrogen 2.951 N/A CYS 260.A N THR 257.A O no hydrogen 3.366 N/A CYS 260.A SG THR 257.A O no hydrogen 3.283 N/A ARG 261.A N GLU 258.A O no hydrogen 2.901 N/A GLY 262.A N GLU 258.A O no hydrogen 3.146 N/A GLU 263.A N GLY 259.A O no hydrogen 3.273 N/A GLY 265.A N CYS 260.A O no hydrogen 2.738 N/A ILE 266.A N GLN 316.A O no hydrogen 3.255 N/A ILE 268.A N TYR 314.A O no hydrogen 3.133 N/A ASN 269.A ND2 GLU 273.A OE2 no hydrogen 2.992 N/A ASN 269.A ND2 GLU 299.A OE1 no hydrogen 3.077 N/A GLN 271.A N ASN 269.A OD1 no hydrogen 3.256 N/A GLY 272.A N ASN 269.A O no hydrogen 3.123 N/A ARG 274.A NH2 ASP 285.A OD1 no hydrogen 2.821 N/A GLU 277.A N ARG 274.A O no hydrogen 3.253 N/A ARG 278.A N PHE 275.A O no hydrogen 2.975 N/A TYR 279.A N PHE 275.A O no hydrogen 3.327 N/A TYR 279.A OH GLU 299.A OE2 no hydrogen 3.045 N/A ALA 283.A N TYR 613.A OXT no hydrogen 2.950 N/A LEU 286.A N ALA 283.A O no hydrogen 3.216 N/A ARG 289.A NE GLN 243.A OE1 no hydrogen 2.703 N/A VAL 292.A N SER 288.A O no hydrogen 3.039 N/A SER 293.A OG PHE 244.A O no hydrogen 3.361 N/A SER 293.A OG ARG 289.A O no hydrogen 2.980 N/A SER 293.A OG ASP 290.A O no hydrogen 3.473 N/A ARG 294.A N ASP 290.A O no hydrogen 3.115 N/A ARG 294.A NH2 ASP 290.A OD2 no hydrogen 3.463 N/A SER 295.A N VAL 291.A O no hydrogen 3.098 N/A SER 295.A OG VAL 291.A O no hydrogen 2.626 N/A MET 296.A N VAL 292.A O no hydrogen 2.888 N/A THR 297.A N SER 293.A O no hydrogen 2.842 N/A LEU 298.A N ARG 294.A O no hydrogen 3.080 N/A GLU 299.A N SER 295.A O no hydrogen 3.078 N/A ILE 300.A N MET 296.A O no hydrogen 3.327 N/A GLU 302.A N LEU 298.A O no hydrogen 3.038 N/A GLY 303.A N ILE 300.A O no hydrogen 3.292 N/A ARG 304.A N GLU 299.A O no hydrogen 2.969 N/A ARG 304.A NE GLU 299.A OE1 no hydrogen 3.259 N/A CYS 306.A N HIS 312.A O no hydrogen 2.823 N/A CYS 306.A SG ILE 268.A O no hydrogen 3.642 N/A CYS 306.A SG ARG 304.A O no hydrogen 3.854 N/A LYS 310.A N GLY 307.A O no hydrogen 3.270 N/A HIS 312.A ND1 ASP 311.A OD1 no hydrogen 2.656 N/A VAL 313.A N VAL 351.A O no hydrogen 3.032 N/A TYR 314.A N ILE 268.A O no hydrogen 3.309 N/A LEU 315.A N ILE 349.A O no hydrogen 2.854 N/A GLN 316.A N ILE 266.A O no hydrogen 2.756 N/A HIS 318.A ND1 LYS 346.A O no hydrogen 2.901 N/A HIS 319.A NE2 GLY 264.A O no hydrogen 3.189 N/A LEU 320.A N LEU 317.A O no hydrogen 3.327 N/A GLN 324.A N PRO 321.A O no hydrogen 3.146 N/A LEU 325.A N PRO 321.A O no hydrogen 3.346 N/A ALA 326.A N PRO 322.A O no hydrogen 3.103 N/A ARG 328.A N GLN 324.A O no hydrogen 2.767 N/A ARG 328.A NH1 SER 110.A OG no hydrogen 3.283 N/A LEU 329.A N LEU 325.A O no hydrogen 3.281 N/A ILE 332.A N ASP 143.A OD2 no hydrogen 2.652 N/A SER 333.A OG LEU 329.A O no hydrogen 2.688 N/A GLU 334.A N PRO 330.A O no hydrogen 3.312 N/A THR 335.A N GLY 331.A O no hydrogen 3.397 N/A THR 335.A OG1 GLY 331.A O no hydrogen 2.786 N/A THR 335.A OG1 ILE 332.A O no hydrogen 3.529 N/A ALA 336.A N ILE 332.A O no hydrogen 2.878 N/A ILE 338.A N GLU 334.A O no hydrogen 2.761 N/A PHE 339.A N THR 335.A O no hydrogen 3.086 N/A ALA 340.A N ALA 336.A O no hydrogen 3.083 N/A VAL 342.A N ALA 336.A O no hydrogen 3.269 N/A THR 345.A N ASP 343.A OD1 no hydrogen 3.301 N/A GLU 347.A N ASP 343.A O no hydrogen 3.210 N/A ILE 349.A N LEU 315.A O no hydrogen 2.806 N/A VAL 351.A N VAL 313.A O no hydrogen 2.794 N/A LEU 352.A N GLY 248.A O no hydrogen 2.954 N/A THR 354.A N HIS 245.A O no hydrogen 3.179 N/A HIS 356.A N GLN 243.A O no hydrogen 2.747 N/A HIS 356.A ND1 THR 216.A OG1 no hydrogen 3.050 N/A GLY 361.A N GLN 237.A O no hydrogen 2.840 N/A THR 364.A N CYS 392.A O no hydrogen 3.044 N/A THR 364.A OG1 ILE 362.A O no hydrogen 2.634 N/A ASN 365.A N GLN 369.A O no hydrogen 2.773 N/A GLN 369.A NE2 ASN 365.A OD1 no hydrogen 2.807 N/A VAL 370.A N LEU 384.A O no hydrogen 3.242 N/A LEU 371.A N PRO 363.A O no hydrogen 2.846 N/A ARG 372.A N GLN 379.A O no hydrogen 2.956 N/A ARG 372.A NH1 GLN 379.A OE1 no hydrogen 2.792 N/A VAL 374.A N GLN 377.A O no hydrogen 3.336 N/A GLN 377.A N VAL 374.A O no hydrogen 3.315 N/A VAL 381.A N VAL 370.A O no hydrogen 2.952 N/A TYR 385.A N THR 201.A O no hydrogen 2.649 N/A ALA 386.A N GLY 368.A O no hydrogen 3.214 N/A CYS 387.A N VAL 203.A O no hydrogen 2.941 N/A CYS 392.A N ILE 362.A O no hydrogen 2.671 N/A CYS 392.A SG GLN 237.A O no hydrogen 3.992 N/A CYS 392.A SG GLN 237.A OE1 no hydrogen 3.361 N/A CYS 392.A SG MET 359.A O no hydrogen 3.344 N/A CYS 392.A SG SER 394.A OG no hydrogen 2.855 N/A SER 394.A OG ASP 238.A OD2 no hydrogen 3.114 N/A ALA 398.A N SER 79.A O no hydrogen 3.002 N/A ASN 404.A ND2 THR 75.A OG1 no hydrogen 3.132 N/A ASP 408.A N ASN 404.A O no hydrogen 2.756 N/A LEU 409.A N SER 405.A O no hydrogen 2.670 N/A VAL 410.A N LEU 406.A O no hydrogen 3.462 N/A VAL 411.A N LEU 407.A O no hydrogen 2.907 N/A PHE 412.A N ASP 408.A O no hydrogen 3.169 N/A GLY 413.A N LEU 409.A O no hydrogen 2.843 N/A ARG 414.A N VAL 410.A O no hydrogen 2.940 N/A ALA 415.A N VAL 411.A O no hydrogen 2.855 N/A CYS 416.A N PHE 412.A O no hydrogen 3.187 N/A CYS 416.A SG GLY 368.A O no hydrogen 4.047 N/A CYS 416.A SG ALA 386.A O no hydrogen 3.748 N/A CYS 416.A SG PHE 412.A O no hydrogen 3.317 N/A ALA 417.A N GLY 413.A O no hydrogen 3.407 N/A LEU 418.A N ARG 414.A O no hydrogen 3.072 N/A SER 419.A N ALA 415.A O no hydrogen 2.778 N/A SER 419.A OG LYS 367.A O no hydrogen 2.759 N/A SER 419.A OG ALA 415.A O no hydrogen 3.432 N/A ILE 420.A N CYS 416.A O no hydrogen 3.125 N/A ALA 421.A N ALA 417.A O no hydrogen 2.972 N/A GLU 422.A N LEU 418.A O no hydrogen 2.817 N/A SER 423.A N ILE 420.A O no hydrogen 3.193 N/A SER 423.A OG SER 419.A O no hydrogen 2.902 N/A SER 423.A OG ILE 420.A O no hydrogen 3.102 N/A CYS 424.A N ILE 420.A O no hydrogen 3.146 N/A CYS 424.A SG ILE 420.A O no hydrogen 3.930 N/A ARG 425.A N ASP 428.A OD2 no hydrogen 3.429 N/A ARG 425.A NE CYS 424.A O no hydrogen 3.495 N/A ARG 425.A NH2 ALA 421.A O no hydrogen 2.875 N/A GLY 427.A N ASP 12.A OD2 no hydrogen 3.282 N/A SER 441.A OG ASP 172.A OD2 no hydrogen 3.173 N/A VAL 442.A N GLU 439.A O no hydrogen 3.115 N/A MET 443.A N GLU 439.A O no hydrogen 2.785 N/A ASN 444.A ND2 GLN 518.A OE1 no hydrogen 2.780 N/A LEU 445.A N SER 441.A O no hydrogen 3.341 N/A ASP 446.A N VAL 442.A O no hydrogen 2.822 N/A LEU 448.A N ASN 444.A O no hydrogen 3.244 N/A ARG 449.A N LEU 445.A O no hydrogen 2.941 N/A ARG 449.A NE ARG 503.A O no hydrogen 3.134 N/A ILE 455.A N HIS 497.A O no hydrogen 2.715 N/A THR 457.A OG1 LYS 499.A O no hydrogen 3.306 N/A THR 457.A OG1 THR 514.A OG1 no hydrogen 3.391 N/A LEU 460.A N THR 457.A O no hydrogen 3.230 N/A ARG 461.A N THR 457.A O no hydrogen 3.143 N/A LEU 462.A N SER 458.A O no hydrogen 3.306 N/A SER 463.A N GLU 459.A O no hydrogen 2.982 N/A SER 463.A OG GLU 459.A O no hydrogen 2.718 N/A MET 464.A N LEU 460.A O no hydrogen 3.045 N/A GLN 465.A N ARG 461.A O no hydrogen 3.065 N/A LYS 466.A N LEU 462.A O no hydrogen 3.044 N/A SER 467.A OG SER 463.A O no hydrogen 3.015 N/A MET 468.A N MET 464.A O no hydrogen 3.151 N/A GLN 469.A N GLN 465.A O no hydrogen 3.032 N/A SER 470.A N LYS 466.A O no hydrogen 3.180 N/A SER 470.A OG LYS 466.A O no hydrogen 3.118 N/A SER 470.A OG SER 467.A O no hydrogen 3.494 N/A HIS 471.A N SER 467.A O no hydrogen 2.966 N/A HIS 471.A ND1 SER 467.A O no hydrogen 2.912 N/A ALA 472.A N MET 468.A O no hydrogen 3.049 N/A ARG 476.A N ALA 542.A O no hydrogen 3.460 N/A GLY 478.A N ASP 545.A OD2 no hydrogen 3.168 N/A LEU 481.A N VAL 477.A O no hydrogen 3.048 N/A GLN 482.A N GLY 478.A O no hydrogen 3.174 N/A GLN 482.A NE2 GLU 532.A OE1 no hydrogen 2.856 N/A GLU 483.A N SER 479.A O no hydrogen 3.366 N/A GLY 484.A N VAL 480.A O no hydrogen 2.882 N/A CYS 485.A N LEU 481.A O no hydrogen 2.764 N/A CYS 485.A SG LEU 481.A O no hydrogen 3.194 N/A CYS 485.A SG ILE 528.A O no hydrogen 3.629 N/A GLU 486.A N GLN 482.A O no hydrogen 3.347 N/A LYS 487.A N GLY 484.A O no hydrogen 3.244 N/A ILE 488.A N GLY 484.A O no hydrogen 2.883 N/A LEU 489.A N CYS 485.A O no hydrogen 2.903 N/A LEU 491.A N LYS 487.A O no hydrogen 3.431 N/A TYR 492.A N LEU 489.A O no hydrogen 3.424 N/A TYR 492.A OH VAL 581.A O no hydrogen 2.931 N/A ASP 494.A N ARG 490.A O no hydrogen 3.180 N/A LEU 495.A N TYR 492.A O no hydrogen 3.365 N/A GLN 496.A NE2 GLY 493.A O no hydrogen 3.554 N/A HIS 497.A N ASP 494.A O no hydrogen 2.906 N/A LYS 499.A N ILE 455.A O no hydrogen 2.772 N/A THR 500.A N ALA 451.A O no hydrogen 3.481 N/A THR 500.A OG1 ASP 510.A OD2 no hydrogen 3.200 N/A PHE 501.A N ASP 510.A OD2 no hydrogen 2.813 N/A ASP 502.A N ASP 510.A OD2 no hydrogen 3.008 N/A ARG 503.A NH1 THR 500.A O no hydrogen 2.780 N/A ARG 503.A NH2 ALA 451.A O no hydrogen 3.336 N/A ARG 503.A NH2 THR 500.A O no hydrogen 3.436 N/A GLY 504.A N ASP 502.A OD1 no hydrogen 3.078 N/A TRP 507.A N ILE 188.A O no hydrogen 2.722 N/A ASN 508.A ND2 ASP 502.A O no hydrogen 3.096 N/A ASN 508.A ND2 GLY 504.A O no hydrogen 2.862 N/A LEU 511.A N ASN 508.A O no hydrogen 2.853 N/A LEU 511.A N ASN 508.A OD1 no hydrogen 2.883 N/A VAL 512.A N ASN 508.A O no hydrogen 3.061 N/A GLU 513.A N THR 509.A O no hydrogen 3.231 N/A THR 514.A N ASP 510.A O no hydrogen 3.400 N/A THR 514.A OG1 THR 457.A OG1 no hydrogen 3.391 N/A THR 514.A OG1 ASP 510.A O no hydrogen 2.507 N/A LEU 515.A N LEU 511.A O no hydrogen 2.824 N/A GLU 516.A N VAL 512.A O no hydrogen 2.733 N/A LEU 517.A N GLU 513.A O no hydrogen 2.956 N/A GLN 518.A N THR 514.A O no hydrogen 3.056 N/A GLN 518.A NE2 ASN 444.A OD1 no hydrogen 2.880 N/A ASN 519.A N LEU 515.A O no hydrogen 3.207 N/A ASN 519.A ND2 ASP 224.A OD2 no hydrogen 2.788 N/A LEU 520.A N GLU 516.A O no hydrogen 2.754 N/A MET 521.A N LEU 517.A O no hydrogen 3.184 N/A CYS 523.A N ASN 519.A O no hydrogen 3.412 N/A CYS 523.A SG GLY 223.A O no hydrogen 3.437 N/A CYS 523.A SG ASN 519.A O no hydrogen 3.390 N/A ALA 524.A N LEU 520.A O no hydrogen 2.819 N/A LEU 525.A N MET 521.A O no hydrogen 2.917 N/A GLN 526.A N LEU 522.A O no hydrogen 3.441 N/A GLN 526.A NE2 THR 230.A OG1 no hydrogen 2.837 N/A GLN 526.A NE2 LEU 522.A O no hydrogen 3.092 N/A THR 527.A N CYS 523.A O no hydrogen 2.977 N/A THR 527.A OG1 LEU 239.A O no hydrogen 3.549 N/A THR 527.A OG1 CYS 523.A O no hydrogen 2.559 N/A ILE 528.A N ALA 524.A O no hydrogen 3.003 N/A TYR 529.A N LEU 525.A O no hydrogen 3.255 N/A ALA 531.A N THR 527.A O no hydrogen 3.198 N/A ALA 531.A N ILE 528.A O no hydrogen 3.259 N/A GLU 532.A N ILE 528.A O no hydrogen 3.126 N/A ALA 533.A N TYR 529.A O no hydrogen 3.125 N/A ARG 534.A N GLY 530.A O no hydrogen 3.151 N/A ARG 534.A NE GLU 240.A OE2 no hydrogen 2.758 N/A ARG 534.A NE THR 575.A OG1 no hydrogen 3.325 N/A ARG 534.A NH1 GLU 536.A OE2 no hydrogen 2.675 N/A ARG 534.A NH1 TRP 571.A O no hydrogen 2.720 N/A ARG 534.A NH2 LYS 573.A O no hydrogen 2.704 N/A ARG 534.A NH2 THR 575.A OG1 no hydrogen 2.658 N/A SER 537.A N GLU 548.A O no hydrogen 2.787 N/A SER 537.A OG ARG 543.A O no hydrogen 3.174 N/A ARG 538.A NE GLU 536.A OE1 no hydrogen 3.126 N/A ARG 538.A NE GLU 536.A OE2 no hydrogen 2.771 N/A ARG 538.A NH1 ASP 80.A O no hydrogen 2.871 N/A ARG 538.A NH1 ASP 551.A OD1 no hydrogen 3.075 N/A ARG 538.A NH2 GLU 536.A OE1 no hydrogen 3.001 N/A ARG 538.A NH2 ASP 551.A OD1 no hydrogen 2.783 N/A GLY 539.A N ASP 80.A OD1 no hydrogen 2.580 N/A ALA 540.A N ALA 398.A O no hydrogen 3.482 N/A HIS 541.A N ARG 538.A O no hydrogen 3.142 N/A HIS 541.A NE2 ALA 531.A O no hydrogen 2.980 N/A ARG 543.A NE ASP 545.A OD1 no hydrogen 3.162 N/A ARG 543.A NH1 ALA 531.A O no hydrogen 3.026 N/A ARG 543.A NH1 GLU 532.A O no hydrogen 2.869 N/A PHE 546.A N ASP 545.A OD1 no hydrogen 2.828 N/A ARG 549.A NE ASP 551.A OD2 no hydrogen 2.729 N/A ARG 549.A NH1 ASP 80.A OD2 no hydrogen 2.593 N/A ARG 549.A NH2 ASP 551.A OD2 no hydrogen 2.860 N/A ARG 549.A NH2 ALA 609.A O no hydrogen 3.086 N/A TYR 555.A OH GLU 552.A OE1 no hydrogen 2.734 N/A TYR 555.A OH GLU 552.A OE2 no hydrogen 3.327 N/A SER 556.A OG ASP 554.A OD2 no hydrogen 2.843 N/A GLN 562.A NE2 ASP 554.A O no hydrogen 3.675 N/A GLN 563.A NE2 LYS 564.A O no hydrogen 3.522 N/A HIS 570.A ND1 PRO 566.A O no hydrogen 2.962 N/A ARG 572.A NE TRP 81.A O no hydrogen 3.019 N/A ARG 572.A NH1 GLU 552.A OE2 no hydrogen 2.776 N/A ARG 572.A NH1 ASP 595.A OD1 no hydrogen 3.290 N/A ARG 572.A NH2 TRP 81.A O no hydrogen 3.569 N/A LYS 573.A NZ PHE 567.A O no hydrogen 2.842 N/A LYS 573.A NZ HIS 570.A O no hydrogen 3.118 N/A HIS 574.A N ARG 591.A O no hydrogen 2.806 N/A HIS 574.A ND1 ASP 238.A OD2 no hydrogen 2.983 N/A HIS 574.A NE2 ASP 84.A OD1 no hydrogen 2.628 N/A THR 575.A N ASP 238.A OD1 no hydrogen 2.900 N/A THR 575.A OG1 GLU 240.A OE2 no hydrogen 2.687 N/A LEU 576.A N GLU 589.A O no hydrogen 2.869 N/A SER 577.A N CYS 236.A O no hydrogen 2.818 N/A SER 577.A OG CYS 236.A O no hydrogen 3.263 N/A TYR 578.A N SER 587.A O no hydrogen 3.055 N/A ASP 580.A N LYS 585.A O no hydrogen 3.234 N/A THR 583.A OG1 ASP 580.A OD2 no hydrogen 2.998 N/A GLY 584.A N ASP 580.A O no hydrogen 2.940 N/A GLU 589.A N LEU 576.A O no hydrogen 2.984 N/A ARG 591.A N HIS 574.A O no hydrogen 3.159 N/A ILE 594.A N ASP 84.A OD1 no hydrogen 3.123 N/A THR 597.A OG1 CYS 603.A O no hydrogen 2.762 N/A LEU 598.A N HIS 89.A ND1 no hydrogen 3.443 N/A CYS 603.A N ASN 599.A O no hydrogen 2.845 N/A THR 605.A N GLU 600.A OE1 no hydrogen 3.157 N/A THR 605.A N GLU 600.A OE2 no hydrogen 3.328 N/A THR 605.A OG1 ASP 595.A O no hydrogen 3.190 N/A THR 605.A OG1 GLU 600.A OE2 no hydrogen 3.246 N/A ARG 611.A NH1 SER 288.A OG no hydrogen 3.422 N/A ARG 611.A NH2 ASP 290.A OD1 no hydrogen 2.731 N/A