Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qlb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLN 616.A OE1 no hydrogen 3.390 N/A ARG 2.A N GLN 616.A OE1 no hydrogen 3.261 N/A ARG 2.A NH1 GLU 23.A OE1 no hydrogen 3.316 N/A ARG 2.A NH2 LEU 21.A O no hydrogen 3.403 N/A ARG 2.A NH2 ASP 22.A O no hydrogen 3.351 N/A ARG 2.A NH2 GLU 23.A OE1 no hydrogen 3.351 N/A ARG 5.A N GLU 25.A O no hydrogen 3.208 N/A ARG 5.A NE GLU 24.A O no hydrogen 2.663 N/A ARG 5.A NH2 GLU 24.A O no hydrogen 3.535 N/A SER 8.A OG ASN 6.A OD1 no hydrogen 3.528 N/A LYS 11.A NZ ASN 6.A OD1 no hydrogen 2.968 N/A ILE 12.A N SER 8.A O no hydrogen 2.953 N/A ALA 13.A N SER 9.A O no hydrogen 3.034 N/A LYS 14.A N ASN 10.A O no hydrogen 3.158 N/A LYS 14.A NZ GLU 25.A OE1 no hydrogen 3.345 N/A THR 15.A N LYS 11.A O no hydrogen 2.918 N/A THR 15.A OG1 LYS 11.A O no hydrogen 2.776 N/A ILE 16.A N ILE 12.A O no hydrogen 2.937 N/A ALA 17.A N ALA 13.A O no hydrogen 3.147 N/A GLY 18.A N THR 15.A O no hydrogen 3.304 N/A GLU 19.A N LYS 14.A O no hydrogen 2.673 N/A ASP 22.A N GLU 25.A OE1 no hydrogen 3.268 N/A GLU 24.A N GLU 24.A OE1 no hydrogen 2.516 N/A GLU 25.A N ASP 22.A O no hydrogen 3.220 N/A LEU 27.A N MET 3.A O no hydrogen 2.707 N/A ALA 31.A N GLU 69.A O no hydrogen 2.892 N/A GLY 32.A N GLU 70.A O no hydrogen 3.103 N/A GLN 33.A N ASP 30.A O no hydrogen 3.307 N/A SER 34.A OG ASP 30.A OD2 no hydrogen 2.326 N/A ARG 36.A N GLY 32.A O no hydrogen 2.967 N/A ARG 36.A NH1 GLU 37.A OE2 no hydrogen 3.004 N/A ARG 36.A NH1 PRO 649.A O no hydrogen 2.815 N/A ARG 36.A NH2 PRO 649.A O no hydrogen 2.465 N/A GLU 38.A N SER 34.A O no hydrogen 3.045 N/A GLU 38.A N ALA 35.A O no hydrogen 3.226 N/A GLY 39.A N ARG 36.A O no hydrogen 3.105 N/A ARG 40.A N ALA 35.A O no hydrogen 2.826 N/A ARG 40.A NE GLU 38.A OE1 no hydrogen 2.803 N/A ARG 40.A NH2 GLU 38.A OE1 no hydrogen 2.880 N/A PHE 41.A N LEU 188.A O no hydrogen 2.869 N/A VAL 42.A N GLN 74.A O no hydrogen 2.985 N/A PHE 43.A N VAL 190.A O no hydrogen 2.732 N/A GLU 44.A N CYS 76.A O no hydrogen 2.900 N/A CYS 45.A N HIS 192.A O no hydrogen 2.578 N/A ALA 46.A N PHE 78.A O no hydrogen 3.408 N/A ASN 51.A N GLU 48.A O no hydrogen 3.206 N/A ASN 51.A ND2 TRP 47.A O no hydrogen 3.026 N/A LYS 52.A NZ GLY 54.A O no hydrogen 3.456 N/A VAL 53.A N GLU 48.A OE1 no hydrogen 3.138 N/A GLY 54.A N GLU 48.A OE1 no hydrogen 2.720 N/A TYR 57.A OH GLU 89.A OE1 no hydrogen 2.613 N/A TYR 57.A OH GLU 89.A OE2 no hydrogen 3.228 N/A VAL 59.A N GLY 55.A O no hydrogen 3.297 N/A LEU 60.A N ILE 56.A O no hydrogen 3.047 N/A ARG 61.A N TYR 57.A O no hydrogen 2.993 N/A ARG 61.A NH1 TYR 57.A OH no hydrogen 2.894 N/A SER 62.A N THR 58.A O no hydrogen 3.046 N/A SER 62.A OG THR 58.A O no hydrogen 2.675 N/A SER 62.A OG VAL 59.A O no hydrogen 3.069 N/A LYS 63.A N VAL 59.A O no hydrogen 3.021 N/A LYS 63.A NZ GLU 44.A OE1 no hydrogen 2.908 N/A LYS 63.A NZ GLU 44.A OE2 no hydrogen 3.216 N/A ALA 64.A N ARG 61.A O no hydrogen 3.319 N/A SER 67.A N LYS 63.A O no hydrogen 3.172 N/A SER 67.A OG LYS 63.A O no hydrogen 2.818 N/A THR 68.A N ALA 64.A O no hydrogen 3.044 N/A THR 68.A OG1 ALA 64.A O no hydrogen 3.354 N/A THR 68.A OG1 GLN 65.A O no hydrogen 3.201 N/A THR 68.A OG1 GLY 123.A O no hydrogen 2.913 N/A GLU 69.A N GLN 65.A O no hydrogen 3.029 N/A GLU 70.A N SER 67.A O no hydrogen 3.170 N/A LEU 71.A N SER 67.A O no hydrogen 2.895 N/A GLY 72.A N THR 68.A O no hydrogen 2.768 N/A GLN 74.A N LEU 71.A O no hydrogen 2.948 N/A GLN 74.A NE2 ARG 40.A O no hydrogen 2.900 N/A TYR 75.A N GLY 72.A O no hydrogen 3.244 N/A TYR 75.A OH GLU 44.A OE1 no hydrogen 2.635 N/A CYS 76.A N VAL 42.A O no hydrogen 2.922 N/A CYS 76.A SG MET 77.A O no hydrogen 3.890 N/A MET 77.A N LYS 126.A O no hydrogen 3.049 N/A PHE 78.A N GLU 44.A O no hydrogen 2.876 N/A GLY 79.A N ILE 128.A O no hydrogen 3.104 N/A MET 81.A N PHE 130.A O no hydrogen 2.990 N/A LYS 82.A NZ ASP 163.A OD2 no hydrogen 2.308 N/A LYS 85.A N LYS 82.A O no hydrogen 3.421 N/A LYS 85.A NZ LYS 52.A O no hydrogen 2.650 N/A ARG 87.A N GLY 84.A O no hydrogen 3.348 N/A GLU 89.A N TRP 86.A O no hydrogen 3.193 N/A VAL 90.A N TRP 86.A O no hydrogen 2.888 N/A ASP 91.A N ARG 118.A O no hydrogen 3.004 N/A ILE 93.A N TYR 116.A O no hydrogen 3.421 N/A GLU 94.A N GLU 94.A OE1 no hydrogen 2.709 N/A ARG 101.A N ASN 97.A O no hydrogen 3.233 N/A ALA 102.A N ARG 98.A O no hydrogen 2.904 N/A ALA 103.A N THR 99.A O no hydrogen 3.017 N/A MET 104.A N ILE 100.A O no hydrogen 3.038 N/A LYS 105.A N ARG 101.A O no hydrogen 2.921 N/A ARG 106.A N ALA 102.A O no hydrogen 3.161 N/A ARG 106.A NH2 GLU 180.A OE1 no hydrogen 2.899 N/A PHE 107.A N ALA 103.A O no hydrogen 2.913 N/A GLN 108.A N MET 104.A O no hydrogen 2.781 N/A ARG 113.A N SER 134.A OG no hydrogen 2.988 N/A ARG 113.A NH1 GLN 108.A O no hydrogen 2.988 N/A ARG 113.A NH1 PHE 112.A O no hydrogen 2.920 N/A CYS 114.A N GLN 108.A OE1 no hydrogen 3.450 N/A MET 115.A N LEU 129.A O no hydrogen 2.823 N/A GLY 117.A N VAL 127.A O no hydrogen 3.161 N/A ARG 118.A N ASP 91.A O no hydrogen 3.066 N/A ARG 118.A NE GLU 96.A OE2 no hydrogen 3.257 N/A ARG 118.A NH1 TYR 124.A O no hydrogen 2.746 N/A ARG 118.A NH2 ASP 73.A OD1 no hydrogen 2.968 N/A ARG 118.A NH2 GLU 96.A OE2 no hydrogen 3.280 N/A TRP 119.A N PRO 125.A O no hydrogen 3.194 N/A TRP 119.A NE1 GLU 89.A OE1 no hydrogen 2.934 N/A LEU 120.A N GLU 89.A O no hydrogen 2.959 N/A ILE 121.A N TRP 119.A O no hydrogen 2.670 N/A GLU 122.A N GLU 122.A OE2 no hydrogen 2.662 N/A TYR 124.A N ILE 121.A O no hydrogen 3.037 N/A LYS 126.A NZ ASP 73.A O no hydrogen 2.972 N/A LYS 126.A NZ ASN 97.A OD1 no hydrogen 2.873 N/A VAL 127.A N GLY 117.A O no hydrogen 3.040 N/A ILE 128.A N MET 77.A O no hydrogen 2.788 N/A LEU 129.A N MET 115.A O no hydrogen 3.008 N/A PHE 130.A N GLY 79.A O no hydrogen 2.875 N/A ASP 131.A N ARG 113.A O no hydrogen 2.962 N/A SER 134.A N ASP 131.A O no hydrogen 3.132 N/A SER 134.A N ASP 131.A OD2 no hydrogen 2.844 N/A SER 134.A OG ARG 113.A O no hydrogen 3.496 N/A SER 134.A OG ASP 131.A O no hydrogen 2.669 N/A SER 134.A OG ASP 131.A OD2 no hydrogen 3.503 N/A GLY 135.A N LEU 132.A O no hydrogen 3.146 N/A ALA 136.A N GLY 133.A O no hydrogen 3.440 N/A LYS 138.A N GLY 135.A O no hydrogen 3.107 N/A LYS 138.A NZ GLU 141.A OE1 no hydrogen 3.227 N/A MET 139.A N ALA 136.A O no hydrogen 3.368 N/A TRP 142.A N LYS 138.A O no hydrogen 3.219 N/A LYS 143.A N MET 139.A O no hydrogen 3.072 N/A LYS 143.A NZ ILE 154.A O no hydrogen 3.009 N/A LYS 143.A NZ PRO 155.A O no hydrogen 3.461 N/A LYS 143.A NZ HIS 156.A ND1 no hydrogen 3.178 N/A LYS 143.A NZ ASN 162.A OD1 no hydrogen 3.158 N/A HIS 144.A N ASN 140.A O no hydrogen 3.012 N/A GLU 145.A N GLU 141.A O no hydrogen 3.028 N/A LEU 146.A N TRP 142.A O no hydrogen 2.839 N/A PHE 147.A N LYS 143.A O no hydrogen 3.140 N/A GLU 148.A N HIS 144.A O no hydrogen 2.931 N/A GLN 149.A N GLU 145.A O no hydrogen 2.952 N/A GLN 149.A NE2 GLU 145.A OE2 no hydrogen 3.098 N/A CYS 150.A N LEU 146.A O no hydrogen 3.173 N/A CYS 150.A SG LEU 146.A O no hydrogen 3.395 N/A SER 161.A N ASP 158.A OD1 no hydrogen 2.941 N/A SER 161.A OG ASP 158.A OD2 no hydrogen 2.817 N/A SER 161.A OG HIS 254.A NE2 no hydrogen 3.057 N/A ASN 162.A N ASP 158.A O no hydrogen 2.949 N/A ASN 162.A ND2 HIS 156.A O no hydrogen 3.155 N/A ASP 163.A N ILE 159.A O no hydrogen 2.990 N/A ALA 164.A N GLU 160.A O no hydrogen 3.069 N/A VAL 165.A N SER 161.A O no hydrogen 3.029 N/A ILE 166.A N ASN 162.A O no hydrogen 3.235 N/A LEU 167.A N ASP 163.A O no hydrogen 2.833 N/A GLY 168.A N ALA 164.A O no hydrogen 2.972 N/A PHE 169.A N VAL 165.A O no hydrogen 2.935 N/A MET 170.A N ILE 166.A O no hydrogen 2.969 N/A VAL 171.A N LEU 167.A O no hydrogen 2.936 N/A ALA 172.A N GLY 168.A O no hydrogen 3.049 N/A LEU 173.A N PHE 169.A O no hydrogen 2.730 N/A PHE 174.A N MET 170.A O no hydrogen 3.059 N/A LEU 175.A N VAL 171.A O no hydrogen 2.968 N/A LYS 176.A N ALA 172.A O no hydrogen 2.952 N/A HIS 177.A N LEU 173.A O no hydrogen 3.171 N/A PHE 178.A N PHE 174.A O no hydrogen 2.881 N/A ARG 179.A N LEU 175.A O no hydrogen 2.965 N/A ARG 179.A NE ASP 211.A OD2 no hydrogen 3.139 N/A ARG 179.A NH1 ARG 179.A O no hydrogen 2.837 N/A ARG 179.A NH2 ASP 211.A OD2 no hydrogen 3.355 N/A GLU 180.A N LYS 176.A O no hydrogen 3.097 N/A SER 181.A N PHE 178.A O no hydrogen 2.998 N/A THR 186.A N ASN 644.A OD1 no hydrogen 2.964 N/A LEU 188.A N GLY 39.A O no hydrogen 2.642 N/A VAL 190.A N PHE 41.A O no hydrogen 2.945 N/A ALA 191.A N ALA 213.A O no hydrogen 2.680 N/A HIS 192.A N PHE 43.A O no hydrogen 2.577 N/A HIS 192.A NE2 THR 217.A OG1 no hydrogen 2.667 N/A PHE 193.A N VAL 215.A O no hydrogen 2.866 N/A HIS 194.A N CYS 45.A O no hydrogen 2.964 N/A HIS 194.A ND1 HIS 219.A NE2 no hydrogen 2.993 N/A HIS 194.A NE2 GLU 44.A OE2 no hydrogen 2.636 N/A GLU 195.A N THR 217.A O no hydrogen 3.003 N/A GLN 197.A N GLN 197.A OE1 no hydrogen 2.625 N/A GLN 197.A NE2 GLU 160.A OE1 no hydrogen 3.281 N/A ALA 198.A N GLU 195.A O no hydrogen 3.113 N/A GLY 199.A N TRP 196.A O no hydrogen 3.121 N/A LEU 202.A N ALA 198.A O no hydrogen 3.435 N/A LEU 203.A N GLY 199.A O no hydrogen 2.751 N/A MET 204.A N VAL 200.A O no hydrogen 2.918 N/A THR 205.A N GLY 201.A O no hydrogen 3.065 N/A THR 205.A OG1 GLY 201.A O no hydrogen 2.596 N/A ARG 206.A N LEU 202.A O no hydrogen 3.243 N/A ARG 206.A N LEU 203.A O no hydrogen 3.250 N/A ARG 206.A NH1 THR 265.A O no hydrogen 2.441 N/A LEU 207.A N LEU 203.A O no hydrogen 2.913 N/A TRP 208.A N MET 204.A O no hydrogen 2.957 N/A TRP 208.A NE1 GLU 145.A OE2 no hydrogen 2.911 N/A LYS 209.A N ARG 206.A O no hydrogen 3.085 N/A LEU 210.A N THR 205.A O no hydrogen 3.145 N/A ILE 212.A N LEU 210.A O no hydrogen 2.750 N/A ALA 213.A N VAL 189.A O no hydrogen 2.813 N/A THR 214.A N HIS 267.A ND1 no hydrogen 3.031 N/A THR 214.A OG1 HIS 267.A ND1 no hydrogen 2.848 N/A VAL 215.A N ALA 191.A O no hydrogen 3.109 N/A TYR 216.A N ILE 268.A O no hydrogen 2.963 N/A THR 217.A N PHE 193.A O no hydrogen 2.956 N/A THR 217.A OG1 HIS 192.A NE2 no hydrogen 2.667 N/A THR 217.A OG1 THR 270.A OG1 no hydrogen 2.522 N/A THR 218.A N THR 270.A O no hydrogen 3.066 N/A HIS 219.A N GLU 195.A OE2 no hydrogen 2.512 N/A HIS 219.A NE2 HIS 194.A ND1 no hydrogen 2.993 N/A ALA 220.A N GLU 195.A OE2 no hydrogen 3.200 N/A THR 221.A OG1 GLU 279.A OE1 no hydrogen 2.903 N/A LEU 222.A N GLU 259.A OE1 no hydrogen 3.172 N/A LEU 222.A N GLU 259.A OE2 no hydrogen 3.309 N/A GLY 224.A N THR 221.A OG1 no hydrogen 3.015 N/A ARG 225.A NH2 ALA 220.A O no hydrogen 3.553 N/A HIS 226.A ND1 LEU 222.A O no hydrogen 3.048 N/A LEU 227.A N LEU 223.A O no hydrogen 2.766 N/A CYS 228.A N GLY 224.A O no hydrogen 3.377 N/A CYS 228.A SG GLY 224.A O no hydrogen 3.400 N/A ALA 229.A N ARG 225.A O no hydrogen 3.059 N/A GLY 231.A N CYS 228.A O no hydrogen 3.017 N/A ALA 232.A N LEU 227.A O no hydrogen 3.360 N/A LEU 234.A N TYR 525.A OH no hydrogen 2.793 N/A TYR 235.A OH GLU 279.A OE2 no hydrogen 2.695 N/A ASN 236.A N ASP 233.A OD1 no hydrogen 3.320 N/A ASN 236.A ND2 ASP 233.A OD2 no hydrogen 3.141 N/A ASN 237.A N LEU 234.A O no hydrogen 3.231 N/A ASN 237.A ND2 ASP 233.A O no hydrogen 3.063 N/A SER 240.A N ASN 237.A O no hydrogen 3.324 N/A SER 240.A OG ASN 237.A O no hydrogen 2.889 N/A ALA 245.A N ASP 242.A OD1 no hydrogen 3.205 N/A GLU 246.A N ASP 242.A O no hydrogen 2.826 N/A ALA 247.A N LEU 243.A O no hydrogen 3.190 N/A GLY 248.A N ASP 244.A O no hydrogen 2.855 N/A LYS 249.A N ALA 245.A O no hydrogen 2.813 N/A LYS 249.A NZ GLU 246.A OE1 no hydrogen 3.438 N/A LYS 249.A NZ GLU 246.A OE2 no hydrogen 3.457 N/A ARG 250.A NH1 GLU 246.A O no hydrogen 3.022 N/A ARG 250.A NH1 GLU 246.A OE2 no hydrogen 2.689 N/A LYS 251.A N GLY 248.A O no hydrogen 3.265 N/A ILE 252.A N ALA 247.A O no hydrogen 3.012 N/A HIS 254.A NE2 ASP 158.A OD2 no hydrogen 2.662 N/A GLN 255.A NE2 ASP 158.A OD2 no hydrogen 3.536 N/A TYR 256.A N ILE 252.A O no hydrogen 3.132 N/A TYR 256.A OH ASP 244.A OD1 no hydrogen 2.916 N/A CYS 257.A N TYR 253.A O no hydrogen 2.933 N/A CYS 257.A SG TYR 253.A O no hydrogen 3.222 N/A LEU 258.A N HIS 254.A O no hydrogen 3.016 N/A GLU 259.A N GLN 255.A O no hydrogen 2.991 N/A ARG 260.A N TYR 256.A O no hydrogen 3.162 N/A ARG 260.A NH1 TYR 256.A OH no hydrogen 3.292 N/A ALA 261.A N CYS 257.A O no hydrogen 2.924 N/A ALA 262.A N LEU 258.A O no hydrogen 3.187 N/A CYS 263.A N GLU 259.A O no hydrogen 3.048 N/A GLN 264.A N ARG 260.A O no hydrogen 2.861 N/A GLN 264.A NE2 LEU 284.A O no hydrogen 3.632 N/A THR 265.A N ALA 261.A O no hydrogen 2.928 N/A THR 265.A OG1 ALA 261.A O no hydrogen 2.793 N/A THR 265.A OG1 ALA 262.A O no hydrogen 3.521 N/A ALA 266.A N ALA 262.A O no hydrogen 3.212 N/A HIS 267.A N THR 214.A OG1 no hydrogen 3.100 N/A HIS 267.A ND1 THR 214.A OG1 no hydrogen 2.848 N/A ILE 268.A N THR 214.A O no hydrogen 3.138 N/A PHE 269.A N ASP 289.A OD2 no hydrogen 2.712 N/A THR 270.A N TYR 216.A O no hydrogen 2.853 N/A THR 270.A OG1 THR 217.A OG1 no hydrogen 2.522 N/A THR 270.A OG1 THR 292.A OG1 no hydrogen 3.197 N/A THR 271.A OG1 SER 273.A O no hydrogen 3.010 N/A VAL 272.A N THR 218.A O no hydrogen 3.315 N/A SER 273.A OG PRO 528.A O no hydrogen 2.856 N/A THR 276.A N SER 273.A OG no hydrogen 3.172 N/A THR 276.A OG1 SER 273.A OG no hydrogen 2.597 N/A GLY 277.A N SER 273.A O no hydrogen 3.173 N/A LEU 278.A N GLU 274.A O no hydrogen 2.929 N/A GLU 279.A N ILE 275.A O no hydrogen 2.970 N/A ALA 280.A N THR 276.A O no hydrogen 2.896 N/A GLU 281.A N GLY 277.A O no hydrogen 3.079 N/A GLU 281.A N LEU 278.A O no hydrogen 3.258 N/A HIS 282.A N GLU 279.A O no hydrogen 3.061 N/A HIS 282.A ND1 LEU 278.A O no hydrogen 3.125 N/A PHE 283.A N GLU 279.A O no hydrogen 2.673 N/A LEU 284.A N ALA 280.A O no hydrogen 2.974 N/A ARG 286.A N ALA 280.A O no hydrogen 3.228 N/A ARG 286.A NH1 CYS 263.A O no hydrogen 2.489 N/A ARG 286.A NH1 ALA 266.A O no hydrogen 2.856 N/A ARG 286.A NH2 ALA 266.A O no hydrogen 3.270 N/A ARG 286.A NH2 HIS 267.A O no hydrogen 3.184 N/A ARG 286.A NH2 ASP 289.A OD2 no hydrogen 3.092 N/A ASP 289.A N PHE 269.A O no hydrogen 2.674 N/A THR 292.A N THR 271.A O no hydrogen 2.785 N/A THR 292.A OG1 THR 270.A OG1 no hydrogen 3.197 N/A THR 292.A OG1 THR 271.A O no hydrogen 3.350 N/A LEU 296.A N LEU 613.A O no hydrogen 2.980 N/A ASN 297.A ND2 SER 62.A O no hydrogen 3.416 N/A VAL 298.A N ASP 614.A OD2 no hydrogen 2.928 N/A LYS 300.A N ASN 297.A O no hydrogen 3.017 N/A PHE 301.A N VAL 298.A O no hydrogen 2.916 N/A GLU 306.A N ALA 303.A O no hydrogen 3.293 N/A GLN 308.A NE2 ILE 600.A O no hydrogen 3.174 N/A GLN 308.A NE2 ASN 604.A OD1 no hydrogen 2.666 N/A LEU 310.A N GLU 306.A O no hydrogen 2.828 N/A HIS 311.A N PHE 307.A O no hydrogen 3.290 N/A HIS 311.A ND1 ARG 515.A O no hydrogen 2.612 N/A ALA 312.A N GLN 308.A O no hydrogen 3.261 N/A GLN 313.A N ASN 309.A O no hydrogen 3.092 N/A ASN 314.A N LEU 310.A O no hydrogen 2.970 N/A LYS 315.A N HIS 311.A O no hydrogen 2.725 N/A LYS 315.A NZ ASN 319.A OD1 no hydrogen 2.915 N/A LYS 315.A NZ LEU 334.A O no hydrogen 2.904 N/A LYS 315.A NZ THR 337.A O no hydrogen 3.198 N/A GLU 316.A N ALA 312.A O no hydrogen 3.118 N/A LYS 317.A N GLN 313.A O no hydrogen 3.217 N/A ILE 318.A N ASN 314.A O no hydrogen 3.117 N/A ASN 319.A N LYS 315.A O no hydrogen 2.956 N/A ASN 319.A ND2 GLU 316.A OE2 no hydrogen 3.215 N/A GLN 320.A N GLU 316.A O no hydrogen 2.970 N/A PHE 321.A N LYS 317.A O no hydrogen 3.253 N/A ILE 322.A N ILE 318.A O no hydrogen 2.840 N/A ARG 323.A N ASN 319.A O no hydrogen 2.948 N/A ARG 323.A NH1 GLU 316.A OE1 no hydrogen 2.942 N/A GLY 324.A N PHE 321.A O no hydrogen 3.220 N/A HIS 325.A N PHE 321.A O no hydrogen 2.910 N/A HIS 325.A NE2 PRO 460.A O no hydrogen 2.656 N/A PHE 326.A N ILE 322.A O no hydrogen 2.885 N/A HIS 327.A N GLY 324.A O no hydrogen 3.267 N/A HIS 327.A ND1 GLY 324.A O no hydrogen 2.968 N/A HIS 329.A N PHE 326.A O no hydrogen 2.961 N/A HIS 329.A NE2 SER 457.A O no hydrogen 2.722 N/A ASP 331.A N HIS 329.A O no hydrogen 2.931 N/A ASP 335.A N ASP 333.A OD1 no hydrogen 2.817 N/A LYS 336.A N ASP 333.A O no hydrogen 3.286 N/A THR 337.A N LEU 334.A O no hydrogen 3.305 N/A THR 337.A OG1 ASP 333.A O no hydrogen 2.707 N/A LEU 338.A N THR 379.A O no hydrogen 2.824 N/A TYR 339.A N HIS 518.A ND1 no hydrogen 2.926 N/A TYR 339.A OH ASN 319.A OD1 no hydrogen 2.398 N/A PHE 340.A N VAL 381.A O no hydrogen 3.112 N/A PHE 341.A N LEU 519.A O no hydrogen 3.079 N/A THR 342.A N PHE 383.A O no hydrogen 3.035 N/A THR 342.A OG1 VAL 521.A O no hydrogen 2.820 N/A TYR 346.A OH ASP 471.A OD1 no hydrogen 2.762 N/A GLU 347.A N ARG 345.A O no hydrogen 2.700 N/A ASN 350.A ND2 GLU 347.A OE1 no hydrogen 3.226 N/A LYS 351.A N GLU 347.A O no hydrogen 2.852 N/A LYS 351.A NZ GLU 527.A OE1 no hydrogen 3.504 N/A GLY 352.A N SER 349.A O no hydrogen 3.038 N/A GLY 353.A N PHE 348.A O no hydrogen 2.828 N/A MET 355.A N ASP 354.A OD1 no hydrogen 2.614 N/A PHE 356.A N GLY 352.A O no hydrogen 2.922 N/A ILE 357.A N GLY 353.A O no hydrogen 3.206 N/A GLU 358.A N ASP 354.A O no hydrogen 2.991 N/A SER 359.A N MET 355.A O no hydrogen 3.015 N/A SER 359.A OG MET 355.A O no hydrogen 2.673 N/A SER 359.A OG PHE 356.A O no hydrogen 2.981 N/A LEU 360.A N PHE 356.A O no hydrogen 2.903 N/A ALA 361.A N ILE 357.A O no hydrogen 3.129 N/A ARG 362.A N GLU 358.A O no hydrogen 3.265 N/A ARG 362.A NE GLU 358.A OE2 no hydrogen 3.068 N/A ARG 362.A NH1 GLU 578.A OE2 no hydrogen 2.908 N/A ARG 362.A NH2 GLU 358.A OE2 no hydrogen 3.413 N/A ARG 362.A NH2 GLU 578.A OE1 no hydrogen 2.951 N/A ARG 362.A NH2 GLU 578.A OE2 no hydrogen 3.222 N/A LEU 363.A N SER 359.A O no hydrogen 2.816 N/A ASN 364.A N LEU 360.A O no hydrogen 2.851 N/A ASN 364.A ND2 ASP 488.A OD1 no hydrogen 3.057 N/A HIS 365.A N ALA 361.A O no hydrogen 3.012 N/A TYR 366.A N ARG 362.A O no hydrogen 2.866 N/A LEU 367.A N LEU 363.A O no hydrogen 2.955 N/A LYS 368.A N ASN 364.A O no hydrogen 3.172 N/A THR 369.A N HIS 365.A O no hydrogen 3.192 N/A THR 369.A N TYR 366.A O no hydrogen 3.309 N/A THR 369.A OG1 HIS 365.A O no hydrogen 2.803 N/A THR 369.A OG1 TYR 366.A O no hydrogen 3.558 N/A THR 370.A OG1 TYR 589.A OH no hydrogen 2.817 N/A ASP 372.A N THR 370.A OG1 no hydrogen 3.029 N/A ARG 374.A NE ASP 372.A OD1 no hydrogen 3.427 N/A VAL 378.A N HIS 375.A O no hydrogen 3.452 N/A THR 379.A N LYS 336.A O no hydrogen 3.033 N/A VAL 380.A N ARG 489.A O no hydrogen 2.919 N/A VAL 381.A N LEU 338.A O no hydrogen 2.989 N/A ALA 382.A N LYS 491.A O no hydrogen 2.822 N/A PHE 383.A N PHE 340.A O no hydrogen 2.770 N/A LEU 384.A N VAL 493.A O no hydrogen 2.911 N/A ILE 385.A N THR 342.A O no hydrogen 2.975 N/A ASN 391.A N ASN 391.A OD1 no hydrogen 2.461 N/A ASN 394.A N THR 463.A O no hydrogen 3.401 N/A ASN 394.A ND2 CYS 462.A O no hydrogen 3.333 N/A SER 397.A N ASN 394.A O no hydrogen 3.174 N/A SER 397.A OG ASN 394.A OD1 no hydrogen 2.641 N/A LEU 398.A N ASN 394.A O no hydrogen 3.313 N/A LYS 399.A N VAL 395.A O no hydrogen 2.957 N/A LYS 399.A NZ HIS 327.A NE2 no hydrogen 3.058 N/A LYS 399.A NZ SER 452.A O no hydrogen 3.410 N/A GLY 400.A N GLU 396.A O no hydrogen 3.282 N/A GLN 401.A N SER 397.A O no hydrogen 3.204 N/A GLN 401.A N LEU 398.A O no hydrogen 3.245 N/A GLN 401.A NE2 PHE 321.A O no hydrogen 3.044 N/A ALA 402.A N LEU 398.A O no hydrogen 2.932 N/A VAL 403.A N LYS 399.A O no hydrogen 3.075 N/A LYS 405.A N GLN 401.A O no hydrogen 3.085 N/A LYS 405.A NZ GLU 409.A OE2 no hydrogen 2.489 N/A GLN 406.A N ALA 402.A O no hydrogen 3.011 N/A LEU 407.A N VAL 403.A O no hydrogen 3.108 N/A LYS 408.A N THR 404.A O no hydrogen 2.956 N/A GLU 409.A N LYS 405.A O no hydrogen 2.989 N/A ALA 410.A N GLN 406.A O no hydrogen 3.110 N/A VAL 411.A N LEU 407.A O no hydrogen 2.892 N/A ASP 412.A N LYS 408.A O no hydrogen 3.050 N/A ARG 413.A N GLU 409.A O no hydrogen 3.372 N/A ILE 414.A N ALA 410.A O no hydrogen 3.202 N/A LYS 415.A N VAL 411.A O no hydrogen 2.745 N/A VAL 418.A N ILE 414.A O no hydrogen 2.834 N/A GLY 419.A N LYS 415.A O no hydrogen 2.781 N/A GLN 420.A N GLU 416.A O no hydrogen 2.913 N/A GLN 420.A NE2 ASP 424.A OD2 no hydrogen 3.250 N/A ARG 421.A N LYS 417.A O no hydrogen 2.907 N/A ARG 421.A NH1 LEU 437.A O no hydrogen 3.021 N/A ARG 421.A NH1 ASP 442.A OD2 no hydrogen 3.086 N/A ARG 421.A NH2 ASP 442.A OD2 no hydrogen 3.378 N/A ILE 422.A N VAL 418.A O no hydrogen 2.935 N/A PHE 423.A N GLY 419.A O no hydrogen 2.909 N/A ASP 424.A N GLN 420.A O no hydrogen 2.876 N/A ILE 425.A N ARG 421.A O no hydrogen 3.133 N/A CYS 426.A N ILE 422.A O no hydrogen 3.109 N/A CYS 426.A SG ILE 422.A O no hydrogen 3.261 N/A CYS 426.A SG HIS 430.A O no hydrogen 4.038 N/A LEU 427.A N PHE 423.A O no hydrogen 3.232 N/A GLN 428.A N ILE 425.A O no hydrogen 3.207 N/A GLY 429.A N CYS 426.A O no hydrogen 2.742 N/A HIS 430.A N ILE 425.A O no hydrogen 3.178 N/A GLU 433.A N GLU 436.A OE2 no hydrogen 2.936 N/A GLU 435.A N GLU 435.A OE1 no hydrogen 2.579 N/A GLU 436.A N GLU 433.A O no hydrogen 2.928 N/A LEU 437.A N PRO 434.A O no hydrogen 3.401 N/A SER 439.A N ASP 442.A OD2 no hydrogen 3.045 N/A ASP 442.A N SER 439.A OG no hydrogen 3.303 N/A ASN 443.A N SER 439.A O no hydrogen 3.307 N/A ILE 444.A N PRO 440.A O no hydrogen 3.087 N/A LEU 445.A N ALA 441.A O no hydrogen 3.147 N/A LEU 446.A N ASP 442.A O no hydrogen 3.063 N/A LYS 447.A N ASN 443.A O no hydrogen 2.732 N/A ARG 448.A N ILE 444.A O no hydrogen 3.056 N/A CYS 449.A N LEU 445.A O no hydrogen 3.069 N/A CYS 449.A SG GLN 406.A O no hydrogen 3.978 N/A CYS 449.A SG LEU 445.A O no hydrogen 3.250 N/A ILE 450.A N LEU 446.A O no hydrogen 2.988 N/A MET 451.A N LYS 447.A O no hydrogen 3.081 N/A SER 452.A OG CYS 449.A O no hydrogen 3.059 N/A LEU 453.A N ILE 450.A O no hydrogen 2.866 N/A HIS 454.A N ILE 450.A O no hydrogen 3.236 N/A ASN 455.A ND2 HIS 327.A O no hydrogen 3.488 N/A SER 457.A N ASN 455.A OD1 no hydrogen 2.922 N/A SER 457.A OG ASN 455.A OD1 no hydrogen 2.490 N/A CYS 462.A SG HIS 464.A O no hydrogen 3.225 N/A CYS 462.A SG PHE 494.A O no hydrogen 3.945 N/A THR 463.A N PHE 494.A O no hydrogen 2.830 N/A ASN 465.A N SER 392.A O no hydrogen 2.796 N/A ILE 467.A N PRO 389.A O no hydrogen 3.200 N/A VAL 473.A N TYR 346.A OH no hydrogen 3.440 N/A LEU 474.A N ASP 471.A OD2 no hydrogen 3.097 N/A GLU 475.A N ASP 471.A O no hydrogen 2.949 N/A SER 476.A N PRO 472.A O no hydrogen 2.835 N/A SER 476.A OG PRO 472.A O no hydrogen 3.299 N/A LEU 477.A N VAL 473.A O no hydrogen 2.980 N/A ARG 478.A N LEU 474.A O no hydrogen 3.130 N/A ARG 479.A N GLU 475.A O no hydrogen 3.017 N/A THR 480.A N SER 476.A O no hydrogen 3.057 N/A SER 481.A N ARG 478.A O no hydrogen 3.139 N/A LEU 482.A N LEU 477.A O no hydrogen 3.057 N/A ASN 484.A ND2 PRO 459.A O no hydrogen 3.024 N/A ASN 484.A ND2 VAL 492.A O no hydrogen 3.014 N/A ASP 488.A N LYS 485.A O no hydrogen 2.952 N/A ARG 489.A N ASN 364.A OD1 no hydrogen 2.983 N/A ARG 489.A NH2 PRO 486.A O no hydrogen 3.377 N/A VAL 490.A N ASN 364.A OD1 no hydrogen 3.315 N/A LYS 491.A N VAL 380.A O no hydrogen 2.657 N/A LYS 491.A NZ LYS 485.A O no hydrogen 2.867 N/A LYS 491.A NZ ASP 488.A O no hydrogen 2.747 N/A VAL 492.A N ASN 484.A OD1 no hydrogen 2.804 N/A VAL 493.A N ALA 382.A O no hydrogen 2.944 N/A PHE 494.A N ILE 461.A O no hydrogen 2.656 N/A HIS 495.A N LEU 384.A O no hydrogen 2.889 N/A HIS 495.A ND1 GLU 497.A O no hydrogen 2.645 N/A SER 503.A N SER 500.A O no hydrogen 3.369 N/A SER 503.A OG SER 500.A O no hydrogen 2.776 N/A SER 503.A OG ILE 506.A O no hydrogen 2.642 N/A ASP 512.A N ASP 509.A OD1 no hydrogen 3.443 N/A PHE 513.A N ASP 509.A O no hydrogen 3.134 N/A VAL 514.A N TYR 510.A O no hydrogen 3.036 N/A ARG 515.A N GLU 511.A O no hydrogen 3.061 N/A ARG 515.A NH2 PHE 301.A O no hydrogen 2.861 N/A GLY 516.A N ASP 512.A O no hydrogen 3.310 N/A GLY 516.A N PHE 513.A O no hydrogen 3.051 N/A CYS 517.A N VAL 514.A O no hydrogen 3.004 N/A CYS 517.A SG PHE 513.A O no hydrogen 3.479 N/A HIS 518.A N TYR 339.A O no hydrogen 2.946 N/A GLY 520.A N PRO 542.A O no hydrogen 3.026 N/A VAL 521.A N PHE 341.A O no hydrogen 2.796 N/A PHE 522.A N VAL 544.A O no hydrogen 2.680 N/A SER 524.A N PHE 522.A O no hydrogen 2.972 N/A SER 524.A OG GLU 527.A OE1 no hydrogen 2.437 N/A TYR 525.A N ASN 350.A O no hydrogen 2.740 N/A TYR 525.A OH ASP 233.A OD1 no hydrogen 3.377 N/A TYR 526.A N ASN 350.A O no hydrogen 3.189 N/A TYR 531.A OH GLY 295.A O no hydrogen 2.712 N/A GLU 535.A N TYR 531.A O no hydrogen 2.942 N/A CYS 536.A N THR 532.A O no hydrogen 3.069 N/A CYS 536.A SG THR 532.A O no hydrogen 3.768 N/A THR 537.A N PRO 533.A O no hydrogen 3.141 N/A THR 537.A OG1 PRO 533.A O no hydrogen 3.018 N/A VAL 538.A N ALA 534.A O no hydrogen 3.368 N/A MET 539.A N GLU 535.A O no hydrogen 3.158 N/A GLY 540.A N THR 537.A O no hydrogen 3.013 N/A ILE 541.A N CYS 536.A O no hydrogen 2.848 N/A SER 543.A N GLY 566.A O no hydrogen 2.987 N/A VAL 544.A N GLY 520.A O no hydrogen 2.789 N/A SER 545.A N TYR 568.A O no hydrogen 2.862 N/A THR 546.A OG1 SER 524.A O no hydrogen 2.778 N/A ASN 547.A N ILE 570.A O no hydrogen 3.170 N/A ASN 547.A ND2 ASP 571.A OD1 no hydrogen 2.822 N/A LEU 548.A N THR 546.A OG1 no hydrogen 3.340 N/A SER 549.A N THR 546.A O no hydrogen 3.171 N/A SER 549.A OG GLU 527.A OE2 no hydrogen 2.681 N/A SER 549.A OG TRP 529.A O no hydrogen 3.190 N/A GLY 550.A N GLU 527.A O no hydrogen 3.081 N/A PHE 551.A N TRP 529.A O no hydrogen 2.769 N/A GLY 552.A N SER 549.A OG no hydrogen 3.222 N/A CYS 553.A N SER 549.A O no hydrogen 2.948 N/A CYS 553.A SG ASN 547.A O no hydrogen 3.245 N/A CYS 553.A SG SER 549.A O no hydrogen 3.134 N/A PHE 554.A N GLY 550.A O no hydrogen 3.059 N/A MET 555.A N PHE 551.A O no hydrogen 3.033 N/A GLN 556.A N GLY 552.A O no hydrogen 3.062 N/A GLU 557.A N CYS 553.A O no hydrogen 2.933 N/A HIS 558.A N PHE 554.A O no hydrogen 3.069 N/A VAL 559.A N MET 555.A O no hydrogen 2.927 N/A HIS 562.A ND1 ILE 567.A O no hydrogen 2.571 N/A GLN 564.A N ASP 561.A O no hydrogen 2.887 N/A LYS 565.A N HIS 562.A O no hydrogen 3.121 N/A GLY 566.A N GLU 563.A O no hydrogen 3.482 N/A ILE 567.A N HIS 562.A O no hydrogen 2.881 N/A TYR 568.A N SER 543.A O no hydrogen 3.022 N/A ILE 570.A N SER 545.A O no hydrogen 2.716 N/A ASP 571.A N GLU 583.A OE2 no hydrogen 2.983 N/A ARG 572.A N ASN 547.A OD1 no hydrogen 2.896 N/A ARG 572.A NH2 PRO 523.A O no hydrogen 3.180 N/A ARG 573.A N ASP 571.A OD1 no hydrogen 3.197 N/A HIS 574.A N ASP 571.A OD1 no hydrogen 2.992 N/A LYS 575.A NZ GLU 583.A OE2 no hydrogen 3.408 N/A ALA 576.A N GLU 579.A OE2 no hydrogen 3.199 N/A SER 580.A N ALA 576.A O no hydrogen 3.148 N/A SER 580.A OG ASP 571.A O no hydrogen 2.797 N/A SER 580.A OG ALA 576.A O no hydrogen 3.524 N/A VAL 581.A N ALA 577.A O no hydrogen 2.988 N/A GLN 582.A N GLU 578.A O no hydrogen 3.111 N/A GLN 582.A NE2 GLU 578.A OE2 no hydrogen 2.818 N/A GLU 583.A N GLU 579.A O no hydrogen 2.948 N/A LEU 584.A N SER 580.A O no hydrogen 2.879 N/A ALA 585.A N VAL 581.A O no hydrogen 2.992 N/A GLN 586.A N GLN 582.A O no hydrogen 2.935 N/A GLN 586.A NE2 ASP 590.A OD2 no hydrogen 3.324 N/A VAL 587.A N GLU 583.A O no hydrogen 2.979 N/A MET 588.A N LEU 584.A O no hydrogen 3.140 N/A TYR 589.A N ALA 585.A O no hydrogen 3.058 N/A TYR 589.A OH THR 370.A OG1 no hydrogen 2.817 N/A ASP 590.A N GLN 586.A O no hydrogen 2.914 N/A PHE 591.A N VAL 587.A O no hydrogen 3.033 N/A CYS 592.A N MET 588.A O no hydrogen 3.095 N/A CYS 592.A N TYR 589.A O no hydrogen 3.041 N/A CYS 592.A SG MET 588.A O no hydrogen 3.221 N/A GLY 593.A N ASP 590.A O no hydrogen 3.171 N/A GLN 594.A N PHE 591.A O no hydrogen 3.269 N/A SER 595.A N GLN 598.A OE1 no hydrogen 2.834 N/A SER 595.A OG GLN 598.A OE1 no hydrogen 3.301 N/A GLN 598.A N SER 595.A OG no hydrogen 3.329 N/A ARG 599.A N SER 595.A O no hydrogen 2.926 N/A ARG 599.A NH2 GLN 594.A O no hydrogen 3.407 N/A ILE 600.A N ARG 596.A O no hydrogen 2.958 N/A ILE 601.A N ARG 597.A O no hydrogen 3.160 N/A LEU 602.A N GLN 598.A O no hydrogen 3.018 N/A ARG 603.A N ARG 599.A O no hydrogen 3.073 N/A ARG 603.A NE GLN 308.A OE1 no hydrogen 3.534 N/A ARG 603.A NH2 GLN 308.A OE1 no hydrogen 3.394 N/A ASN 604.A N ILE 600.A O no hydrogen 3.132 N/A SER 605.A N ILE 601.A O no hydrogen 3.181 N/A SER 605.A OG ILE 601.A O no hydrogen 3.349 N/A ASN 606.A N LEU 602.A O no hydrogen 2.882 N/A ASN 606.A ND2 LYS 565.A O no hydrogen 2.894 N/A GLU 607.A N ARG 603.A O no hydrogen 2.867 N/A GLY 608.A N ASN 604.A O no hydrogen 3.187 N/A LEU 609.A N ASN 606.A O no hydrogen 3.007 N/A SER 610.A N GLU 607.A O no hydrogen 3.167 N/A SER 610.A OG GLU 607.A O no hydrogen 2.544 N/A LEU 612.A N LEU 609.A O no hydrogen 2.973 N/A LEU 613.A N SER 610.A O no hydrogen 3.024 N/A TRP 615.A N LEU 296.A O no hydrogen 3.024 N/A TRP 615.A NE1 SER 62.A OG no hydrogen 2.857 N/A GLN 616.A N ASP 614.A OD1 no hydrogen 2.820 N/A ASN 617.A N ASP 614.A O no hydrogen 2.964 N/A LEU 618.A N ASP 614.A O no hydrogen 3.008 N/A GLY 619.A N TRP 615.A O no hydrogen 2.752 N/A TYR 622.A N GLY 619.A O no hydrogen 3.203 N/A ARG 623.A N GLY 619.A O no hydrogen 3.186 N/A ARG 623.A NH1 GLU 28.A O no hydrogen 3.249 N/A ASP 624.A N VAL 620.A O no hydrogen 2.692 N/A CYS 625.A N PHE 621.A O no hydrogen 3.152 N/A CYS 625.A SG PHE 621.A O no hydrogen 3.630 N/A CYS 625.A SG TYR 622.A O no hydrogen 3.268 N/A ARG 626.A N TYR 622.A O no hydrogen 3.312 N/A ARG 627.A N ARG 623.A O no hydrogen 3.304 N/A ARG 627.A NH1 ASP 624.A OD1 no hydrogen 2.918 N/A ARG 627.A NH2 ASP 624.A OD1 no hydrogen 3.136 N/A LEU 628.A N ASP 624.A O no hydrogen 3.036 N/A ALA 629.A N CYS 625.A O no hydrogen 3.025 N/A LEU 630.A N ARG 626.A O no hydrogen 3.105 N/A GLU 631.A N ARG 627.A O no hydrogen 3.088 N/A ARG 632.A N LEU 628.A O no hydrogen 2.942 N/A LEU 633.A N ALA 629.A O no hydrogen 3.005 N/A HIS 634.A N LEU 630.A O no hydrogen 2.635 N/A LYS 639.A N ASP 636.A O no hydrogen 3.054 N/A ILE 640.A N ASP 636.A O no hydrogen 3.120 N/A MET 641.A N VAL 637.A O no hydrogen 2.875 N/A ARG 642.A N ASP 638.A O no hydrogen 3.382 N/A ASP 643.A N LYS 639.A O no hydrogen 3.146 N/A ASN 644.A N ILE 640.A O no hydrogen 2.978 N/A ASN 644.A ND2 GLU 38.A O no hydrogen 3.205 N/A ASN 644.A ND2 THR 186.A O no hydrogen 2.576 N/A GLU 645.A N ARG 642.A O no hydrogen 3.433 N/A LYS 647.A N ASN 644.A O no hydrogen 3.196 N/A LYS 647.A NZ ASP 643.A OD1 no hydrogen 3.247 N/A LYS 647.A NZ ASP 643.A OD2 no hydrogen 3.009 N/A