Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1z4u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ARG 57.A O no hydrogen 2.862 N/A SER 4.A N PHE 55.A O no hydrogen 3.004 N/A SER 4.A OG VAL 53.A O no hydrogen 2.539 N/A SER 4.A OG PHE 55.A O no hydrogen 3.443 N/A THR 6.A N TYR 277.A O no hydrogen 2.966 N/A THR 6.A OG1 TYR 277.A O no hydrogen 3.465 N/A TRP 7.A NE1 THR 54.A OG1 no hydrogen 2.770 N/A THR 8.A N CYS 275.A O no hydrogen 2.883 N/A THR 8.A OG1 ASN 274.A O no hydrogen 2.615 N/A THR 8.A OG1 CYS 275.A O no hydrogen 3.016 N/A ALA 10.A N THR 8.A OG1 no hydrogen 3.237 N/A THR 13.A OG1 SER 270.A OG no hydrogen 2.574 N/A LEU 27.A N ASN 25.A OD1 no hydrogen 2.477 N/A SER 28.A N ASN 25.A O no hydrogen 3.189 N/A SER 28.A OG ASN 25.A O no hydrogen 2.588 N/A SER 28.A OG ASN 29.A OD1 no hydrogen 2.795 N/A SER 30.A N LEU 27.A O no hydrogen 2.977 N/A SER 30.A OG LEU 27.A O no hydrogen 2.524 N/A LEU 31.A N SER 28.A O no hydrogen 3.074 N/A LEU 32.A N SER 28.A O no hydrogen 2.955 N/A HIS 34.A N LEU 493.A O no hydrogen 2.865 N/A HIS 34.A ND1 LEU 493.A O no hydrogen 2.570 N/A LEU 37.A N HIS 34.A O no hydrogen 3.041 N/A TYR 39.A N PHE 146.A O no hydrogen 2.994 N/A SER 40.A N SER 20.A O no hydrogen 2.910 N/A THR 41.A N GLU 144.A O no hydrogen 3.064 N/A THR 41.A OG1 LYS 142.A O no hydrogen 2.801 N/A SER 43.A N GLU 18.A OE1 no hydrogen 3.151 N/A SER 43.A N GLU 18.A OE2 no hydrogen 3.185 N/A SER 43.A OG GLU 18.A OE1 no hydrogen 2.435 N/A SER 43.A OG GLU 18.A OE2 no hydrogen 3.034 N/A ARG 44.A N THR 42.A OG1 no hydrogen 3.148 N/A ARG 44.A NH2 GLU 18.A O no hydrogen 3.527 N/A SER 45.A N THR 42.A O no hydrogen 3.090 N/A SER 45.A OG THR 42.A O no hydrogen 3.370 N/A LEU 48.A N SER 45.A O no hydrogen 2.782 N/A ARG 49.A NE ALA 158.A O no hydrogen 3.174 N/A ARG 49.A NH2 PRO 157.A O no hydrogen 3.020 N/A GLN 50.A N ALA 46.A O no hydrogen 2.995 N/A LYS 51.A N SER 47.A O no hydrogen 3.306 N/A LYS 52.A N LEU 48.A O no hydrogen 3.169 N/A VAL 53.A N ARG 49.A O no hydrogen 2.974 N/A THR 54.A N GLN 50.A O no hydrogen 3.082 N/A THR 54.A N LYS 51.A O no hydrogen 3.228 N/A THR 54.A OG1 GLN 50.A O no hydrogen 2.733 N/A PHE 55.A N SER 4.A OG no hydrogen 3.013 N/A ARG 57.A N SER 2.A O no hydrogen 3.296 N/A ARG 57.A NE SER 2.A O no hydrogen 2.845 N/A ARG 57.A NH1 SER 227.A O no hydrogen 2.745 N/A ARG 57.A NH1 VAL 229.A O no hydrogen 2.938 N/A ARG 57.A NH2 SER 2.A O no hydrogen 3.553 N/A ARG 57.A NH2 SER 2.A OG no hydrogen 3.379 N/A ARG 57.A NH2 ARG 279.A O no hydrogen 3.086 N/A GLN 59.A NE2 ASP 233.A OD2 no hydrogen 3.117 N/A GLN 59.A NE2 TYR 347.A O no hydrogen 2.663 N/A VAL 60.A N ARG 346.A O no hydrogen 2.914 N/A TYR 65.A N ASP 62.A OD2 no hydrogen 2.831 N/A ARG 66.A N ASP 62.A O no hydrogen 2.828 N/A ASP 67.A N ASP 63.A O no hydrogen 2.862 N/A VAL 68.A N HIS 64.A O no hydrogen 3.089 N/A LEU 69.A N TYR 65.A O no hydrogen 2.938 N/A LYS 70.A N ARG 66.A O no hydrogen 3.073 N/A GLU 71.A N ASP 67.A O no hydrogen 3.151 N/A MET 72.A N VAL 68.A O no hydrogen 2.938 N/A LYS 73.A N LEU 69.A O no hydrogen 2.956 N/A ALA 74.A N LYS 70.A O no hydrogen 3.146 N/A LYS 75.A N GLU 71.A O no hydrogen 3.316 N/A LYS 75.A NZ VAL 187.A O no hydrogen 3.508 N/A ALA 76.A N MET 72.A O no hydrogen 2.821 N/A SER 77.A N LYS 73.A O no hydrogen 2.861 N/A SER 77.A OG ALA 74.A O no hydrogen 2.690 N/A THR 78.A N LYS 75.A O no hydrogen 3.172 N/A THR 78.A OG1 LYS 75.A O no hydrogen 2.597 N/A VAL 79.A N ALA 76.A O no hydrogen 2.874 N/A ALA 81.A N ASP 245.A O no hydrogen 3.427 N/A LYS 82.A N ASP 178.A OD1 no hydrogen 2.936 N/A LYS 82.A NZ GLU 88.A OE1 no hydrogen 3.492 N/A SER 85.A N GLU 88.A OE2 no hydrogen 3.242 N/A GLU 88.A N SER 85.A OG no hydrogen 2.987 N/A ALA 89.A N SER 85.A O no hydrogen 2.904 N/A CYS 90.A N VAL 86.A O no hydrogen 2.764 N/A CYS 90.A SG VAL 86.A O no hydrogen 2.855 N/A LYS 91.A N GLU 87.A O no hydrogen 3.149 N/A LEU 92.A N ALA 89.A O no hydrogen 2.925 N/A THR 93.A N CYS 90.A O no hydrogen 3.248 N/A THR 93.A OG1 CYS 90.A O no hydrogen 3.525 N/A SER 97.A N PRO 94.A O no hydrogen 2.716 N/A SER 97.A OG ASP 560.A OD1 no hydrogen 3.230 N/A SER 97.A OG ASP 560.A OD2 no hydrogen 3.348 N/A SER 100.A OG ASP 165.A OD1 no hydrogen 2.866 N/A SER 100.A OG ASP 165.A OD2 no hydrogen 3.337 N/A LYS 101.A N ASP 165.A OD2 no hydrogen 2.552 N/A PHE 102.A N SER 100.A OG no hydrogen 2.797 N/A TYR 104.A OH HIS 119.A ND1 no hydrogen 2.767 N/A GLY 105.A N ASP 108.A OD1 no hydrogen 2.983 N/A VAL 109.A N GLY 105.A O no hydrogen 3.061 N/A ARG 110.A N ALA 106.A O no hydrogen 2.891 N/A ARG 110.A NH1 LYS 91.A O no hydrogen 2.716 N/A ARG 110.A NH1 THR 93.A O no hydrogen 2.462 N/A ARG 110.A NH2 LYS 91.A O no hydrogen 3.463 N/A SER 111.A N LYS 107.A O no hydrogen 2.703 N/A SER 111.A OG LYS 107.A O no hydrogen 2.838 N/A SER 111.A OG ASP 108.A O no hydrogen 3.265 N/A LEU 112.A N VAL 109.A O no hydrogen 3.245 N/A SER 113.A N ASP 108.A O no hydrogen 2.934 N/A ALA 116.A N SER 113.A OG no hydrogen 3.427 N/A VAL 117.A N SER 113.A O no hydrogen 3.244 N/A ASN 118.A N SER 114.A O no hydrogen 2.962 N/A HIS 119.A N ARG 115.A O no hydrogen 3.327 N/A HIS 119.A N ALA 116.A O no hydrogen 2.875 N/A ILE 120.A N ALA 116.A O no hydrogen 2.938 N/A ARG 121.A N VAL 117.A O no hydrogen 3.163 N/A SER 122.A N ASN 118.A O no hydrogen 3.022 N/A SER 122.A OG ASN 118.A O no hydrogen 3.459 N/A SER 122.A OG HIS 119.A O no hydrogen 2.549 N/A VAL 123.A N HIS 119.A O no hydrogen 2.820 N/A TRP 124.A N ILE 120.A O no hydrogen 2.967 N/A LYS 125.A N ARG 121.A O no hydrogen 2.957 N/A ASP 126.A N SER 122.A O no hydrogen 2.945 N/A LEU 127.A N VAL 123.A O no hydrogen 3.040 N/A LEU 127.A N TRP 124.A O no hydrogen 2.997 N/A LEU 128.A N TRP 124.A O no hydrogen 3.297 N/A LEU 128.A N LYS 125.A O no hydrogen 3.238 N/A GLU 129.A N LYS 125.A O no hydrogen 3.179 N/A ASP 130.A N ASP 126.A O no hydrogen 2.903 N/A THR 131.A OG1 ASP 132.A OD2 no hydrogen 3.538 N/A ASP 132.A N ASP 130.A OD2 no hydrogen 2.848 N/A THR 133.A N ASP 130.A OD2 no hydrogen 3.147 N/A THR 133.A OG1 ASP 130.A OD1 no hydrogen 2.597 N/A THR 133.A OG1 ASP 130.A OD2 no hydrogen 3.422 N/A ILE 135.A N ARG 260.A O no hydrogen 2.986 N/A THR 137.A N PRO 266.A O no hydrogen 3.192 N/A THR 137.A OG1 PRO 266.A O no hydrogen 2.545 N/A THR 138.A N PHE 163.A O no hydrogen 2.837 N/A ILE 139.A N THR 268.A O no hydrogen 3.105 N/A MET 140.A N ILE 161.A O no hydrogen 2.940 N/A LYS 142.A N ARG 159.A O no hydrogen 2.556 N/A ASN 143.A ND2 LYS 142.A O no hydrogen 2.716 N/A PHE 146.A N TYR 39.A O no hydrogen 2.744 N/A CYS 147.A SG LEU 37.A O no hydrogen 3.990 N/A CYS 147.A SG VAL 148.A O no hydrogen 4.011 N/A VAL 148.A N LEU 37.A O no hydrogen 2.660 N/A LYS 152.A N GLN 149.A O no hydrogen 3.174 N/A LYS 152.A NZ GLU 151.A OE1 no hydrogen 3.461 N/A GLY 153.A N PRO 150.A O no hydrogen 3.220 N/A LYS 156.A N TYR 39.A OH no hydrogen 3.152 N/A LYS 156.A NZ GLN 149.A OE1 no hydrogen 3.278 N/A ALA 158.A N SER 45.A OG no hydrogen 2.746 N/A ARG 159.A NE GLU 144.A OE2 no hydrogen 3.069 N/A ILE 161.A N MET 140.A O no hydrogen 2.720 N/A VAL 162.A N SER 283.A OG no hydrogen 2.989 N/A PHE 163.A N THR 138.A O no hydrogen 3.073 N/A GLY 167.A N ASP 165.A OD1 no hydrogen 2.975 N/A ARG 169.A N ASP 165.A O no hydrogen 3.133 N/A ARG 169.A NE ASP 560.A OD2 no hydrogen 2.710 N/A ARG 169.A NH1 SER 97.A OG no hydrogen 2.666 N/A ARG 169.A NH1 ALA 98.A O no hydrogen 2.890 N/A ARG 169.A NH2 PRO 164.A O no hydrogen 2.706 N/A VAL 170.A N LEU 166.A O no hydrogen 3.031 N/A VAL 170.A N GLY 167.A O no hydrogen 2.981 N/A CYS 171.A N GLY 167.A O no hydrogen 3.294 N/A CYS 171.A SG ILE 120.A O no hydrogen 3.761 N/A CYS 171.A SG GLY 167.A O no hydrogen 3.888 N/A GLU 172.A N VAL 168.A O no hydrogen 2.872 N/A LYS 173.A N ARG 169.A O no hydrogen 3.276 N/A LYS 173.A NZ ASP 560.A O no hydrogen 3.026 N/A LYS 173.A NZ ASP 560.A OD2 no hydrogen 3.567 N/A MET 174.A N VAL 170.A O no hydrogen 3.209 N/A ALA 175.A N CYS 171.A O no hydrogen 2.898 N/A LEU 176.A N GLU 172.A O no hydrogen 2.790 N/A TYR 177.A N LYS 173.A O no hydrogen 3.061 N/A TYR 177.A OH HIS 563.A NE2 no hydrogen 2.968 N/A VAL 180.A N LEU 176.A O no hydrogen 2.888 N/A SER 181.A OG TYR 177.A O no hydrogen 2.665 N/A SER 181.A OG TYR 556.A OH no hydrogen 2.737 N/A THR 182.A N VAL 179.A O no hydrogen 2.884 N/A THR 182.A OG1 ASP 178.A O no hydrogen 3.188 N/A LEU 183.A N VAL 179.A O no hydrogen 2.698 N/A ALA 186.A N THR 182.A O no hydrogen 3.229 N/A VAL 187.A N LEU 183.A O no hydrogen 3.104 N/A VAL 187.A N PRO 184.A O no hydrogen 3.188 N/A MET 188.A N PRO 184.A O no hydrogen 3.260 N/A SER 191.A N MET 188.A O no hydrogen 2.817 N/A SER 191.A OG MET 314.A O no hydrogen 2.870 N/A TYR 192.A N GLY 189.A O no hydrogen 3.142 N/A GLY 193.A N VAL 316.A O no hydrogen 2.961 N/A GLN 195.A NE2 GLY 189.A O no hydrogen 2.538 N/A GLN 195.A NE2 TYR 192.A O no hydrogen 2.800 N/A TYR 196.A OH SER 190.A O no hydrogen 2.426 N/A SER 197.A N GLN 200.A OE1 no hydrogen 2.776 N/A SER 197.A OG GLN 200.A OE1 no hydrogen 2.744 N/A LYS 199.A N LEU 467.A O no hydrogen 2.939 N/A LYS 199.A NZ HIS 468.A O no hydrogen 2.590 N/A GLN 200.A N SER 197.A O no hydrogen 2.860 N/A ARG 201.A N SER 197.A O no hydrogen 2.921 N/A ARG 201.A NH1 ASN 317.A OD1 no hydrogen 2.936 N/A ARG 201.A NH2 SER 366.A OG no hydrogen 3.327 N/A VAL 202.A N PRO 198.A O no hydrogen 3.051 N/A GLU 203.A N LYS 199.A O no hydrogen 3.189 N/A PHE 204.A N GLN 200.A O no hydrogen 2.874 N/A LEU 205.A N ARG 201.A O no hydrogen 2.992 N/A VAL 206.A N VAL 202.A O no hydrogen 2.974 N/A ASN 207.A N GLU 203.A O no hydrogen 3.064 N/A THR 208.A N PHE 204.A O no hydrogen 3.225 N/A THR 208.A OG1 PHE 204.A O no hydrogen 2.732 N/A TRP 209.A N LEU 205.A O no hydrogen 2.887 N/A LYS 210.A N VAL 206.A O no hydrogen 2.798 N/A LYS 210.A NZ TYR 383.A OH no hydrogen 2.756 N/A ALA 211.A N THR 208.A O no hydrogen 3.299 N/A LYS 212.A N TRP 209.A O no hydrogen 3.237 N/A LYS 212.A NZ ASP 311.A OD2 no hydrogen 3.429 N/A LYS 212.A NZ THR 313.A OG1 no hydrogen 3.128 N/A LYS 213.A N GLU 326.A OE1 no hydrogen 3.309 N/A CYS 214.A N GLU 326.A OE2 no hydrogen 2.781 N/A MET 216.A N CYS 325.A O no hydrogen 2.951 N/A GLY 217.A N GLU 358.A O no hydrogen 3.265 N/A PHE 218.A N VAL 323.A O no hydrogen 2.710 N/A TYR 220.A N LEU 321.A O no hydrogen 2.888 N/A TYR 220.A OH ALA 349.A O no hydrogen 2.811 N/A ARG 223.A N PRO 350.A O no hydrogen 3.097 N/A CYS 224.A SG SER 227.A OG no hydrogen 3.013 N/A SER 227.A OG VAL 53.A O no hydrogen 3.116 N/A THR 228.A N PHE 225.A O no hydrogen 2.797 N/A THR 228.A OG1 PHE 225.A O no hydrogen 2.778 N/A THR 228.A OG1 SER 348.A O no hydrogen 3.214 N/A VAL 229.A N PHE 225.A O no hydrogen 3.296 N/A VAL 229.A N ASP 226.A O no hydrogen 3.244 N/A THR 230.A N ASP 233.A OD1 no hydrogen 3.052 N/A THR 230.A OG1 GLN 59.A OE1 no hydrogen 2.717 N/A ASP 233.A N THR 230.A OG1 no hydrogen 3.230 N/A ILE 234.A N THR 230.A O no hydrogen 3.185 N/A ARG 235.A N GLU 231.A O no hydrogen 3.042 N/A ARG 235.A NE GLU 259.A OE1 no hydrogen 2.506 N/A VAL 236.A N ASN 232.A O no hydrogen 2.999 N/A GLU 237.A N ASP 233.A O no hydrogen 3.082 N/A GLU 238.A N ILE 234.A O no hydrogen 3.095 N/A SER 239.A N ARG 235.A O no hydrogen 3.046 N/A SER 239.A OG VAL 236.A O no hydrogen 2.647 N/A ILE 240.A N VAL 236.A O no hydrogen 3.171 N/A ILE 240.A N GLU 237.A O no hydrogen 2.856 N/A TYR 241.A N GLU 237.A O no hydrogen 3.015 N/A GLN 242.A N GLU 238.A O no hydrogen 2.818 N/A GLN 242.A NE2 GLU 238.A OE2 no hydrogen 2.915 N/A GLN 242.A NE2 ARG 251.A O no hydrogen 3.480 N/A CYS 243.A N ILE 240.A O no hydrogen 2.796 N/A CYS 243.A SG LYS 73.A O no hydrogen 3.751 N/A CYS 243.A SG SER 239.A O no hydrogen 3.462 N/A CYS 244.A N TYR 241.A O no hydrogen 2.700 N/A CYS 244.A SG TYR 241.A O no hydrogen 3.311 N/A ASP 245.A N VAL 79.A O no hydrogen 2.806 N/A ARG 251.A N ALA 247.A O no hydrogen 2.983 N/A ARG 251.A NH1 GLN 242.A O no hydrogen 2.878 N/A ARG 251.A NH1 GLN 242.A OE1 no hydrogen 2.782 N/A ARG 251.A NH2 GLN 242.A O no hydrogen 3.539 N/A ALA 253.A N GLU 249.A O no hydrogen 3.176 N/A ILE 254.A N ALA 250.A O no hydrogen 2.990 N/A ARG 255.A N ARG 251.A O no hydrogen 2.877 N/A SER 256.A N GLN 252.A O no hydrogen 2.898 N/A SER 256.A OG LEU 127.A O no hydrogen 2.747 N/A SER 256.A OG ASP 130.A O no hydrogen 2.849 N/A LEU 257.A N ALA 253.A O no hydrogen 2.704 N/A THR 258.A N ILE 254.A O no hydrogen 3.081 N/A THR 258.A N ARG 255.A O no hydrogen 3.153 N/A THR 258.A OG1 ILE 254.A O no hydrogen 3.084 N/A GLU 259.A N ARG 255.A O no hydrogen 3.010 N/A ARG 260.A N SER 256.A O no hydrogen 2.876 N/A ARG 260.A NE THR 133.A O no hydrogen 2.656 N/A ARG 260.A NH1 ASP 126.A O no hydrogen 3.181 N/A ARG 260.A NH1 ASP 126.A OD1 no hydrogen 3.539 N/A ARG 260.A NH2 ASP 126.A OD1 no hydrogen 3.159 N/A ARG 260.A NH2 THR 133.A O no hydrogen 3.567 N/A LEU 261.A N LEU 257.A O no hydrogen 2.762 N/A TYR 262.A N LEU 257.A O no hydrogen 2.934 N/A TYR 262.A OH GLU 172.A OE2 no hydrogen 2.520 N/A VAL 263.A N THR 258.A O no hydrogen 3.020 N/A GLY 264.A N LEU 261.A O no hydrogen 3.097 N/A GLY 265.A N ARG 278.A O no hydrogen 3.035 N/A MET 267.A N GLY 276.A O no hydrogen 2.816 N/A THR 268.A N THR 137.A O no hydrogen 2.984 N/A THR 268.A OG1 THR 137.A O no hydrogen 3.481 N/A THR 268.A OG1 ASN 269.A O no hydrogen 3.536 N/A ASN 269.A N GLN 273.A O no hydrogen 3.125 N/A ASN 269.A ND2 LEU 11.A O no hydrogen 2.969 N/A SER 270.A OG THR 13.A OG1 no hydrogen 2.574 N/A SER 270.A OG PRO 14.A O no hydrogen 3.246 N/A GLY 272.A N ASN 269.A O no hydrogen 3.093 N/A GLN 273.A N ASN 269.A OD1 no hydrogen 3.007 N/A ASN 274.A ND2 MET 267.A O no hydrogen 3.539 N/A CYS 275.A N MET 267.A O no hydrogen 2.718 N/A CYS 275.A SG ALA 10.A O no hydrogen 3.440 N/A GLY 276.A N MET 267.A O no hydrogen 3.289 N/A TYR 277.A N THR 6.A O no hydrogen 2.969 N/A ARG 278.A N GLY 265.A O no hydrogen 2.931 N/A ARG 278.A NH1 LEU 261.A O no hydrogen 3.520 N/A ARG 278.A NH1 TYR 262.A O no hydrogen 2.987 N/A ARG 278.A NH1 CYS 280.A O no hydrogen 2.799 N/A ARG 278.A NH2 LEU 261.A O no hydrogen 2.518 N/A ARG 279.A N SER 4.A O no hydrogen 3.085 N/A CYS 280.A SG SER 4.A O no hydrogen 3.718 N/A CYS 280.A SG TYR 5.A OH no hydrogen 3.412 N/A CYS 280.A SG ARG 281.A O no hydrogen 3.760 N/A ARG 281.A NE ASN 292.A OD1 no hydrogen 2.792 N/A ARG 281.A NH2 GLU 237.A OE1 no hydrogen 2.489 N/A GLY 284.A N VAL 162.A O no hydrogen 2.810 N/A LEU 286.A N GLU 172.A OE2 no hydrogen 3.101 N/A THR 288.A OG1 ALA 282.A O no hydrogen 2.426 N/A GLY 291.A N THR 287.A O no hydrogen 2.470 N/A ASN 292.A N THR 288.A O no hydrogen 2.895 N/A ASN 292.A ND2 ASP 226.A OD1 no hydrogen 2.784 N/A THR 293.A N SER 289.A O no hydrogen 2.951 N/A THR 293.A OG1 SER 289.A O no hydrogen 2.893 N/A LEU 294.A N CYS 290.A O no hydrogen 2.949 N/A THR 295.A N GLY 291.A O no hydrogen 2.876 N/A THR 295.A OG1 GLU 237.A OE1 no hydrogen 3.117 N/A CYS 296.A N ASN 292.A O no hydrogen 2.642 N/A TYR 297.A N THR 293.A O no hydrogen 2.877 N/A LEU 298.A N LEU 294.A O no hydrogen 2.898 N/A LYS 299.A N THR 295.A O no hydrogen 3.191 N/A LYS 299.A NZ ASP 233.A OD1 no hydrogen 3.025 N/A LYS 299.A NZ TYR 347.A O no hydrogen 2.510 N/A LYS 299.A NZ SER 348.A O no hydrogen 3.010 N/A ALA 300.A N CYS 296.A O no hydrogen 3.154 N/A ALA 301.A N TYR 297.A O no hydrogen 2.938 N/A ALA 302.A N LEU 298.A O no hydrogen 3.204 N/A ALA 303.A N LYS 299.A O no hydrogen 2.852 N/A CYS 304.A N ALA 300.A O no hydrogen 2.916 N/A CYS 304.A SG ALA 300.A O no hydrogen 3.556 N/A ARG 305.A N ALA 302.A O no hydrogen 3.093 N/A ARG 305.A NH1 GLU 71.A OE1 no hydrogen 3.215 N/A ARG 305.A NH2 GLU 71.A OE1 no hydrogen 2.911 N/A ARG 305.A NH2 GLU 71.A OE2 no hydrogen 3.114 N/A ALA 306.A N ALA 303.A O no hydrogen 2.979 N/A ALA 307.A N ALA 303.A O no hydrogen 2.905 N/A LYS 308.A N CYS 304.A O no hydrogen 2.876 N/A LEU 309.A N CYS 304.A O no hydrogen 3.273 N/A THR 313.A N ILE 324.A O no hydrogen 2.669 N/A LEU 315.A N VAL 322.A O no hydrogen 3.003 N/A VAL 316.A N SER 191.A O no hydrogen 2.896 N/A ASN 317.A N ASP 320.A O no hydrogen 2.943 N/A GLY 318.A N THR 293.A OG1 no hydrogen 2.813 N/A ASP 320.A N ASN 317.A O no hydrogen 3.099 N/A VAL 322.A N LEU 315.A O no hydrogen 3.232 N/A VAL 323.A N PHE 218.A O no hydrogen 2.647 N/A ILE 324.A N THR 313.A O no hydrogen 2.903 N/A CYS 325.A N MET 216.A O no hydrogen 2.650 N/A CYS 325.A SG MET 216.A O no hydrogen 3.333 N/A CYS 325.A SG GLU 326.A O no hydrogen 3.864 N/A GLU 326.A N GLN 310.A O no hydrogen 2.854 N/A SER 327.A N CYS 214.A O no hydrogen 2.951 N/A SER 327.A OG ASP 333.A OD1 no hydrogen 2.559 N/A ALA 328.A N ASP 333.A OD2 no hydrogen 2.956 N/A GLY 329.A N SER 327.A OG no hydrogen 3.353 N/A GLU 332.A N GLU 332.A OE1 no hydrogen 2.604 N/A ASP 333.A N GLY 329.A O no hydrogen 2.892 N/A ALA 334.A N THR 330.A O no hydrogen 3.079 N/A ALA 335.A N GLN 331.A O no hydrogen 3.115 N/A SER 336.A N GLU 332.A O no hydrogen 2.892 N/A SER 336.A OG GLU 332.A O no hydrogen 3.284 N/A SER 336.A OG ASP 333.A O no hydrogen 2.720 N/A LEU 337.A N ASP 333.A O no hydrogen 3.126 N/A ARG 338.A N ALA 334.A O no hydrogen 3.179 N/A VAL 339.A N ALA 335.A O no hydrogen 3.142 N/A PHE 340.A N SER 336.A O no hydrogen 3.113 N/A THR 341.A N LEU 337.A O no hydrogen 2.893 N/A THR 341.A OG1 LEU 337.A O no hydrogen 2.980 N/A GLU 342.A N ARG 338.A O no hydrogen 3.048 N/A ALA 343.A N VAL 339.A O no hydrogen 2.807 N/A MET 344.A N PHE 340.A O no hydrogen 2.938 N/A THR 345.A N THR 341.A O no hydrogen 2.836 N/A THR 345.A OG1 THR 341.A O no hydrogen 2.746 N/A ARG 346.A N GLU 342.A O no hydrogen 3.178 N/A TYR 347.A N ALA 343.A O no hydrogen 3.061 N/A TYR 347.A N MET 344.A O no hydrogen 2.705 N/A TYR 347.A OH ASP 62.A OD1 no hydrogen 3.340 N/A TYR 347.A OH ASP 62.A OD2 no hydrogen 2.788 N/A SER 348.A N THR 345.A O no hydrogen 3.136 N/A SER 348.A OG THR 228.A O no hydrogen 2.685 N/A SER 348.A OG SER 348.A O no hydrogen 2.423 N/A GLY 352.A N ASP 221.A O no hydrogen 3.058 N/A ASP 353.A N ASP 221.A OD2 no hydrogen 3.241 N/A GLN 356.A NE2 PRO 355.A O no hydrogen 2.976 N/A GLU 358.A N GLY 217.A O no hydrogen 3.002 N/A TYR 359.A OH ASP 333.A OD1 no hydrogen 2.691 N/A LEU 363.A N ASP 360.A O no hydrogen 2.981 N/A ILE 364.A N LEU 361.A O no hydrogen 2.881 N/A SER 366.A N SER 369.A O no hydrogen 2.996 N/A CYS 367.A N ASP 320.A OD2 no hydrogen 2.295 N/A CYS 367.A SG ASP 320.A OD2 no hydrogen 3.266 N/A SER 369.A N SER 366.A O no hydrogen 3.083 N/A SER 369.A OG CYS 367.A O no hydrogen 3.017 N/A SER 369.A OG TYR 416.A OH no hydrogen 2.851 N/A ASN 370.A N THR 386.A O no hydrogen 2.873 N/A ASN 370.A ND2 VAL 371.A O no hydrogen 2.985 N/A SER 372.A N TYR 384.A O no hydrogen 2.870 N/A ALA 374.A N VAL 382.A O no hydrogen 2.928 N/A HIS 375.A N HIS 476.A O no hydrogen 2.724 N/A HIS 375.A ND1 SER 477.A O no hydrogen 2.966 N/A ASP 376.A N LYS 380.A O no hydrogen 2.813 N/A SER 378.A OG ASP 376.A OD1 no hydrogen 3.094 N/A GLY 379.A N ASP 376.A O no hydrogen 2.708 N/A LYS 380.A N ASP 376.A OD1 no hydrogen 2.785 N/A ARG 381.A NE TYR 383.A OH no hydrogen 3.299 N/A VAL 382.A N ALA 374.A O no hydrogen 2.749 N/A TYR 384.A N SER 372.A O no hydrogen 3.131 N/A THR 386.A N ASN 370.A O no hydrogen 3.004 N/A THR 386.A OG1 ARG 387.A O no hydrogen 3.325 N/A THR 386.A OG1 GLU 482.A OE2 no hydrogen 2.744 N/A ARG 387.A NE ASP 388.A O no hydrogen 3.034 N/A THR 390.A N ASP 388.A OD2 no hydrogen 2.792 N/A THR 390.A OG1 ASP 388.A OD1 no hydrogen 3.124 N/A THR 390.A OG1 ASP 388.A OD2 no hydrogen 2.699 N/A LEU 393.A N PRO 389.A O no hydrogen 2.870 N/A ALA 394.A N THR 390.A O no hydrogen 2.753 N/A ARG 395.A N VAL 391.A O no hydrogen 2.866 N/A ARG 395.A NE VAL 145.A O no hydrogen 2.660 N/A ARG 395.A NH2 VAL 145.A O no hydrogen 3.225 N/A ALA 396.A N PRO 392.A O no hydrogen 2.869 N/A ALA 397.A N LEU 393.A O no hydrogen 2.911 N/A TRP 398.A N ALA 394.A O no hydrogen 3.376 N/A GLU 399.A N ARG 395.A O no hydrogen 2.834 N/A THR 400.A N ALA 397.A O no hydrogen 3.034 N/A THR 400.A OG1 ALA 396.A O no hydrogen 2.826 N/A THR 400.A OG1 HIS 429.A NE2 no hydrogen 3.354 N/A ALA 401.A N ALA 397.A O no hydrogen 3.261 N/A ARG 402.A NH2 LYS 21.A O no hydrogen 3.321 N/A THR 404.A OG1 VAL 406.A O no hydrogen 3.403 N/A ASN 407.A N ASP 445.A O no hydrogen 3.428 N/A SER 408.A N GLU 399.A OE1 no hydrogen 2.875 N/A SER 408.A OG GLU 399.A OE1 no hydrogen 2.562 N/A SER 408.A OG GLU 399.A OE2 no hydrogen 3.446 N/A TRP 409.A N GLU 399.A OE2 no hydrogen 3.200 N/A ASN 412.A N SER 408.A O no hydrogen 2.797 N/A ILE 413.A N TRP 409.A O no hydrogen 3.058 N/A ILE 414.A N LEU 410.A O no hydrogen 3.248 N/A MET 415.A N GLY 411.A O no hydrogen 2.895 N/A TYR 416.A N ASN 412.A O no hydrogen 2.721 N/A TYR 416.A OH SER 369.A OG no hydrogen 2.851 N/A THR 419.A N TYR 416.A O no hydrogen 3.113 N/A THR 419.A OG1 TYR 416.A O no hydrogen 2.766 N/A TRP 421.A NE1 THR 386.A OG1 no hydrogen 3.010 N/A ALA 422.A N THR 419.A OG1 no hydrogen 3.289 N/A ARG 423.A NH1 LEU 475.A O no hydrogen 3.290 N/A ARG 423.A NH1 TYR 478.A OH no hydrogen 2.979 N/A MET 424.A N LEU 420.A O no hydrogen 3.165 N/A ILE 425.A N TRP 421.A O no hydrogen 3.110 N/A LEU 426.A N TRP 421.A O no hydrogen 3.367 N/A MET 427.A N ALA 422.A O no hydrogen 2.833 N/A THR 428.A OG1 ARG 423.A O no hydrogen 3.558 N/A THR 428.A OG1 MET 424.A O no hydrogen 3.151 N/A HIS 429.A N ILE 425.A O no hydrogen 2.876 N/A HIS 429.A NE2 THR 400.A OG1 no hydrogen 3.354 N/A PHE 430.A N LEU 426.A O no hydrogen 2.893 N/A PHE 431.A N MET 427.A O no hydrogen 2.988 N/A SER 432.A N THR 428.A O no hydrogen 3.247 N/A LEU 434.A N PHE 430.A O no hydrogen 2.915 N/A LEU 435.A N SER 432.A O no hydrogen 3.215 N/A ALA 436.A N ILE 433.A O no hydrogen 2.984 N/A GLN 439.A N LEU 434.A O no hydrogen 3.298 N/A LYS 442.A N GLN 439.A O no hydrogen 2.907 N/A LEU 444.A N ILE 455.A O no hydrogen 2.811 N/A CYS 446.A N TYR 453.A O no hydrogen 3.092 N/A ILE 448.A N ALA 451.A O no hydrogen 3.019 N/A TYR 449.A OH TYR 196.A O no hydrogen 2.605 N/A CYS 452.A N ILE 561.A O no hydrogen 2.916 N/A CYS 452.A SG ASP 445.A OD1 no hydrogen 3.829 N/A TYR 453.A N CYS 446.A O no hydrogen 2.948 N/A TYR 453.A OH HIS 563.A ND1 no hydrogen 2.969 N/A ILE 455.A N LEU 444.A O no hydrogen 2.804 N/A ASP 459.A N GLU 456.A O no hydrogen 2.753 N/A LEU 460.A N PRO 457.A O no hydrogen 2.821 N/A GLN 462.A N GLN 462.A OE1 no hydrogen 2.538 N/A GLN 462.A NE2 LEU 458.A O no hydrogen 3.629 N/A ILE 463.A N ASP 459.A O no hydrogen 3.059 N/A ILE 464.A N LEU 460.A O no hydrogen 2.682 N/A GLU 465.A N PRO 461.A O no hydrogen 3.053 N/A ARG 466.A N GLN 462.A O no hydrogen 3.069 N/A ARG 466.A N ILE 463.A O no hydrogen 2.775 N/A ARG 466.A NH1 LEU 546.A O no hydrogen 3.416 N/A LEU 467.A N ILE 463.A O no hydrogen 3.054 N/A HIS 468.A N ILE 464.A O no hydrogen 2.776 N/A HIS 468.A NE2 ILE 414.A O no hydrogen 2.622 N/A GLY 469.A N GLU 465.A O no hydrogen 3.148 N/A PHE 473.A N LEU 470.A O no hydrogen 3.211 N/A SER 474.A N SER 471.A O no hydrogen 2.717 N/A HIS 476.A N HIS 375.A O no hydrogen 2.722 N/A HIS 476.A ND1 SER 477.A OG no hydrogen 3.021 N/A HIS 476.A NE2 ASP 376.A O no hydrogen 2.738 N/A SER 477.A OG HIS 476.A ND1 no hydrogen 3.021 N/A TYR 478.A OH PRO 418.A O no hydrogen 2.739 N/A SER 479.A OG SER 372.A OG no hydrogen 3.071 N/A ILE 483.A N SER 479.A O no hydrogen 3.095 N/A ASN 484.A N PRO 480.A O no hydrogen 2.763 N/A ARG 485.A N GLY 481.A O no hydrogen 2.754 N/A ARG 485.A NE GLU 482.A OE1 no hydrogen 3.446 N/A ARG 485.A NH1 ASN 370.A OD1 no hydrogen 3.395 N/A ARG 485.A NH2 ASN 370.A OD1 no hydrogen 3.100 N/A ARG 485.A NH2 GLU 482.A OE1 no hydrogen 2.956 N/A VAL 486.A N GLU 482.A O no hydrogen 2.920 N/A ALA 487.A N ILE 483.A O no hydrogen 3.032 N/A SER 488.A N ASN 484.A O no hydrogen 2.703 N/A SER 488.A OG ASN 484.A O no hydrogen 2.403 N/A CYS 489.A N ARG 485.A O no hydrogen 2.954 N/A CYS 489.A SG ASP 388.A OD2 no hydrogen 3.714 N/A CYS 489.A SG THR 390.A OG1 no hydrogen 3.027 N/A LEU 490.A N VAL 486.A O no hydrogen 2.812 N/A ARG 491.A N ALA 487.A O no hydrogen 3.046 N/A LYS 492.A N SER 488.A O no hydrogen 3.133 N/A LYS 492.A NZ THR 390.A OG1 no hydrogen 3.140 N/A LEU 493.A N CYS 489.A O no hydrogen 3.030 N/A GLY 494.A N LEU 490.A O no hydrogen 2.923 N/A VAL 495.A N LEU 490.A O no hydrogen 2.963 N/A VAL 500.A N PRO 497.A O no hydrogen 2.877 N/A TRP 501.A NE1 PRO 496.A O no hydrogen 2.434 N/A ARG 502.A N LEU 498.A O no hydrogen 3.101 N/A ARG 502.A N ARG 499.A O no hydrogen 2.851 N/A ARG 502.A NH1 TRP 529.A O no hydrogen 2.898 N/A HIS 503.A N ARG 499.A O no hydrogen 3.222 N/A ARG 504.A N VAL 500.A O no hydrogen 3.080 N/A ARG 504.A NH1 SER 30.A O no hydrogen 2.990 N/A ALA 505.A N TRP 501.A O no hydrogen 2.882 N/A ARG 506.A N ARG 502.A O no hydrogen 3.246 N/A SER 507.A N HIS 503.A O no hydrogen 3.214 N/A VAL 508.A N ARG 504.A O no hydrogen 2.899 N/A ARG 509.A N ALA 505.A O no hydrogen 2.910 N/A ALA 510.A N SER 507.A O no hydrogen 2.500 N/A LYS 511.A N SER 507.A O no hydrogen 3.224 N/A LEU 512.A N VAL 508.A O no hydrogen 3.091 N/A LEU 513.A N ARG 509.A O no hydrogen 3.185 N/A SER 514.A N ALA 510.A O no hydrogen 2.728 N/A SER 514.A OG ALA 510.A O no hydrogen 3.214 N/A GLY 516.A N LEU 513.A O no hydrogen 2.897 N/A ARG 518.A NH2 GLU 456.A OE1 no hydrogen 3.513 N/A ARG 518.A NH2 ASP 459.A OD1 no hydrogen 3.258 N/A ILE 521.A N ARG 518.A O no hydrogen 3.051 N/A CYS 522.A N ARG 518.A O no hydrogen 3.164 N/A CYS 522.A SG PRO 457.A O no hydrogen 4.003 N/A CYS 522.A SG ARG 518.A O no hydrogen 3.672 N/A GLY 523.A N ALA 519.A O no hydrogen 3.421 N/A TYR 525.A N ILE 521.A O no hydrogen 3.136 N/A TYR 525.A OH THR 538.A O no hydrogen 2.509 N/A LEU 526.A N CYS 522.A O no hydrogen 2.745 N/A ASN 528.A ND2 LEU 535.A O no hydrogen 3.337 N/A TRP 529.A NE1 LEU 526.A O no hydrogen 3.015 N/A ALA 530.A N PHE 527.A O no hydrogen 2.945 N/A LYS 534.A NZ ASN 528.A O no hydrogen 3.314 N/A LYS 534.A NZ VAL 531.A O no hydrogen 2.687 N/A ILE 540.A N GLU 465.A OE2 no hydrogen 3.219 N/A ALA 543.A N ILE 540.A O no hydrogen 3.258 N/A SER 544.A N PRO 541.A O no hydrogen 3.233 N/A SER 544.A OG PRO 541.A O no hydrogen 2.627 N/A TRP 551.A N LEU 548.A O no hydrogen 3.100 N/A VAL 553.A N TRP 551.A O no hydrogen 3.247 N/A GLY 555.A N TYR 192.A OH no hydrogen 3.202 N/A TYR 556.A N TYR 449.A O no hydrogen 2.617 N/A TYR 556.A OH SER 181.A OG no hydrogen 2.737 N/A GLY 559.A N TYR 556.A O no hydrogen 2.638 N/A TYR 562.A N LEU 92.A O no hydrogen 2.817 N/A HIS 563.A N CYS 452.A O no hydrogen 2.796 N/A HIS 563.A ND1 TYR 453.A OH no hydrogen 2.969 N/A HIS 563.A NE2 TYR 177.A OH no hydrogen 2.968 N/A