Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5trh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 32.A OD1 no hydrogen 3.140 N/A SER 1.A OG GLU 207.A OE1 no hydrogen 2.882 N/A SER 3.A N PHE 31.A O no hydrogen 2.993 N/A SER 3.A OG VAL 29.A O no hydrogen 2.668 N/A SER 3.A OG PHE 31.A O no hydrogen 3.336 N/A THR 5.A N TYR 253.A O no hydrogen 3.024 N/A TRP 6.A NE1 THR 30.A OG1 no hydrogen 2.754 N/A THR 7.A N CYS 251.A O no hydrogen 2.958 N/A THR 7.A OG1 ASN 250.A O no hydrogen 2.761 N/A ALA 9.A N THR 7.A OG1 no hydrogen 3.243 N/A THR 12.A OG1 SER 246.A OG no hydrogen 2.685 N/A THR 17.A N GLU 120.A O no hydrogen 2.861 N/A THR 17.A OG1 LYS 118.A O no hydrogen 2.710 N/A THR 17.A OG1 GLU 120.A O no hydrogen 3.345 N/A SER 21.A OG THR 18.A O no hydrogen 2.972 N/A ALA 22.A N SER 19.A O no hydrogen 3.235 N/A SER 23.A OG ARG 20.A O no hydrogen 3.531 N/A LEU 24.A N SER 21.A O no hydrogen 3.113 N/A GLN 26.A N ALA 22.A O no hydrogen 3.100 N/A GLN 26.A NE2 ALA 22.A O no hydrogen 3.114 N/A LYS 27.A N SER 23.A O no hydrogen 3.314 N/A LYS 27.A NZ SER 23.A O no hydrogen 3.481 N/A VAL 29.A N ARG 25.A O no hydrogen 3.145 N/A THR 30.A OG1 GLN 26.A O no hydrogen 2.695 N/A PHE 31.A N SER 3.A OG no hydrogen 3.165 N/A ARG 33.A N SER 1.A O no hydrogen 3.207 N/A ARG 33.A NE SER 1.A O no hydrogen 2.851 N/A ARG 33.A NH1 SER 203.A O no hydrogen 3.074 N/A ARG 33.A NH1 ARG 255.A O no hydrogen 3.095 N/A ARG 33.A NH2 SER 1.A O no hydrogen 3.283 N/A ARG 33.A NH2 SER 1.A OG no hydrogen 2.871 N/A ARG 33.A NH2 ARG 255.A O no hydrogen 2.793 N/A GLN 35.A NE2 ASP 209.A OD1 no hydrogen 2.764 N/A GLN 35.A NE2 ASP 209.A OD2 no hydrogen 3.415 N/A GLN 35.A NE2 TYR 323.A O no hydrogen 2.792 N/A VAL 36.A N ARG 322.A O no hydrogen 2.884 N/A TYR 41.A N ASP 38.A OD1 no hydrogen 3.135 N/A ARG 42.A N ASP 38.A O no hydrogen 3.198 N/A ARG 42.A NH2 ASP 39.A OD1 no hydrogen 3.341 N/A ASP 43.A N ASP 39.A O no hydrogen 2.783 N/A VAL 44.A N HIS 40.A O no hydrogen 2.943 N/A LEU 45.A N TYR 41.A O no hydrogen 2.981 N/A LYS 46.A N ARG 42.A O no hydrogen 3.135 N/A GLU 47.A N ASP 43.A O no hydrogen 3.090 N/A MET 48.A N VAL 44.A O no hydrogen 2.847 N/A LYS 49.A N LEU 45.A O no hydrogen 2.869 N/A ALA 50.A N LYS 46.A O no hydrogen 3.024 N/A LYS 51.A N MET 48.A O no hydrogen 3.109 N/A ALA 52.A N MET 48.A O no hydrogen 3.058 N/A SER 53.A N LYS 49.A O no hydrogen 3.070 N/A SER 53.A OG LYS 49.A O no hydrogen 2.700 N/A SER 53.A OG ALA 50.A O no hydrogen 3.463 N/A THR 54.A N LYS 51.A O no hydrogen 3.411 N/A THR 54.A OG1 LYS 51.A O no hydrogen 2.677 N/A VAL 55.A N ALA 52.A O no hydrogen 3.049 N/A LYS 56.A NZ ASP 221.A OD1 no hydrogen 3.532 N/A ALA 57.A N ASP 221.A O no hydrogen 2.988 N/A LYS 58.A N ASP 154.A OD2 no hydrogen 2.779 N/A LEU 60.A N MET 150.A O no hydrogen 2.938 N/A SER 61.A N GLU 64.A OE1 no hydrogen 2.921 N/A GLU 64.A N SER 61.A OG no hydrogen 3.236 N/A ALA 65.A N SER 61.A O no hydrogen 3.167 N/A CYS 66.A N VAL 62.A O no hydrogen 3.026 N/A CYS 66.A SG VAL 62.A O no hydrogen 3.283 N/A LYS 67.A N GLU 63.A O no hydrogen 3.227 N/A LEU 68.A N ALA 65.A O no hydrogen 3.171 N/A THR 69.A N CYS 66.A O no hydrogen 3.233 N/A THR 69.A OG1 ALA 65.A O no hydrogen 3.231 N/A THR 69.A OG1 CYS 66.A O no hydrogen 3.397 N/A SER 73.A N PRO 70.A O no hydrogen 3.164 N/A SER 73.A OG ASP 536.A OD1 no hydrogen 2.741 N/A SER 73.A OG ASP 536.A OD2 no hydrogen 2.900 N/A SER 76.A N TYR 80.A O no hydrogen 2.872 N/A SER 76.A OG ASP 141.A OD1 no hydrogen 3.472 N/A SER 76.A OG ASP 141.A OD2 no hydrogen 2.690 N/A LYS 77.A N ASP 141.A OD1 no hydrogen 2.930 N/A LYS 77.A NZ ASP 112.A OD2 no hydrogen 3.469 N/A PHE 78.A N SER 76.A OG no hydrogen 3.020 N/A TYR 80.A OH HIS 95.A ND1 no hydrogen 2.774 N/A GLY 81.A N ASP 84.A OD2 no hydrogen 2.866 N/A VAL 85.A N GLY 81.A O no hydrogen 3.135 N/A ARG 86.A N ALA 82.A O no hydrogen 3.031 N/A ARG 86.A NH1 LYS 67.A O no hydrogen 2.889 N/A ARG 86.A NH1 THR 69.A O no hydrogen 2.792 N/A ASN 87.A N LYS 83.A O no hydrogen 2.975 N/A LEU 88.A N VAL 85.A O no hydrogen 2.981 N/A SER 89.A N ASP 84.A O no hydrogen 2.893 N/A SER 89.A OG ASP 84.A O no hydrogen 3.230 N/A LYS 91.A NZ GLY 79.A O no hydrogen 3.023 N/A VAL 93.A N SER 89.A O no hydrogen 2.957 N/A ASN 94.A N SER 90.A O no hydrogen 2.973 N/A HIS 95.A N LYS 91.A O no hydrogen 3.052 N/A HIS 95.A ND1 TYR 80.A OH no hydrogen 2.774 N/A ILE 96.A N ALA 92.A O no hydrogen 2.983 N/A ARG 97.A N VAL 93.A O no hydrogen 3.059 N/A SER 98.A N ASN 94.A O no hydrogen 3.162 N/A SER 98.A OG HIS 95.A O no hydrogen 2.945 N/A VAL 99.A N HIS 95.A O no hydrogen 2.937 N/A TRP 100.A N ILE 96.A O no hydrogen 2.947 N/A TRP 100.A NE1 GLU 225.A OE1 no hydrogen 2.901 N/A LYS 101.A N ARG 97.A O no hydrogen 2.984 N/A ASP 102.A N SER 98.A O no hydrogen 2.971 N/A LEU 103.A N VAL 99.A O no hydrogen 3.026 N/A LEU 103.A N TRP 100.A O no hydrogen 2.925 N/A LEU 104.A N TRP 100.A O no hydrogen 3.061 N/A GLU 105.A N LYS 101.A O no hydrogen 2.972 N/A ASP 106.A N ASP 102.A O no hydrogen 2.790 N/A GLU 108.A N ASP 106.A OD1 no hydrogen 3.166 N/A THR 109.A N ASP 106.A OD1 no hydrogen 3.092 N/A THR 109.A OG1 ASP 106.A OD1 no hydrogen 3.117 N/A THR 109.A OG1 ASP 106.A OD2 no hydrogen 2.709 N/A ILE 111.A N ARG 236.A O no hydrogen 2.940 N/A THR 113.A N PRO 242.A O no hydrogen 3.404 N/A THR 113.A OG1 PRO 242.A O no hydrogen 3.001 N/A THR 114.A N PHE 139.A O no hydrogen 2.828 N/A ILE 115.A N THR 244.A O no hydrogen 2.899 N/A MET 116.A N ILE 137.A O no hydrogen 2.993 N/A LYS 118.A N ARG 135.A O no hydrogen 2.768 N/A LYS 118.A NZ GLU 120.A OE2 no hydrogen 2.829 N/A ASN 119.A ND2 THR 17.A O no hydrogen 2.931 N/A GLU 120.A N THR 17.A OG1 no hydrogen 2.991 N/A LYS 132.A N TYR 15.A OH no hydrogen 2.886 N/A ALA 134.A N SER 21.A OG no hydrogen 3.091 N/A ARG 135.A NE GLU 120.A OE1 no hydrogen 3.329 N/A ILE 137.A N MET 116.A O no hydrogen 2.761 N/A VAL 138.A N SER 259.A OG no hydrogen 3.061 N/A PHE 139.A N THR 114.A O no hydrogen 3.075 N/A GLY 143.A N ASP 141.A OD2 no hydrogen 3.407 N/A ARG 145.A N ASP 141.A O no hydrogen 3.019 N/A ARG 145.A NE ASP 536.A OD2 no hydrogen 3.096 N/A ARG 145.A NH1 PRO 140.A O no hydrogen 2.833 N/A ARG 145.A NH2 SER 73.A OG no hydrogen 2.813 N/A ARG 145.A NH2 ALA 74.A O no hydrogen 2.885 N/A VAL 146.A N LEU 142.A O no hydrogen 3.125 N/A CYS 147.A N GLY 143.A O no hydrogen 3.274 N/A CYS 147.A SG ILE 96.A O no hydrogen 3.411 N/A CYS 147.A SG GLY 143.A O no hydrogen 3.522 N/A GLU 148.A N VAL 144.A O no hydrogen 2.922 N/A LYS 149.A N ARG 145.A O no hydrogen 3.447 N/A LYS 149.A NZ ASP 536.A O no hydrogen 2.932 N/A LYS 149.A NZ ASP 536.A OD2 no hydrogen 3.370 N/A MET 150.A N VAL 146.A O no hydrogen 3.164 N/A ALA 151.A N CYS 147.A O no hydrogen 3.161 N/A LEU 152.A N GLU 148.A O no hydrogen 2.818 N/A TYR 153.A N LYS 149.A O no hydrogen 2.986 N/A VAL 156.A N LEU 152.A O no hydrogen 2.971 N/A SER 157.A OG TYR 153.A O no hydrogen 2.688 N/A SER 157.A OG TYR 532.A OH no hydrogen 2.628 N/A THR 158.A N VAL 155.A O no hydrogen 3.141 N/A THR 158.A OG1 ASP 154.A O no hydrogen 2.954 N/A THR 158.A OG1 ASP 154.A OD1 no hydrogen 3.198 N/A LEU 159.A N VAL 155.A O no hydrogen 2.798 N/A GLN 161.A NE2 GLN 171.A OE1 no hydrogen 3.390 N/A ALA 162.A N THR 158.A O no hydrogen 3.425 N/A VAL 163.A N LEU 159.A O no hydrogen 3.023 N/A MET 164.A N PRO 160.A O no hydrogen 3.005 N/A GLY 165.A N GLN 161.A O no hydrogen 2.816 N/A SER 167.A N MET 164.A O no hydrogen 3.196 N/A SER 167.A OG MET 290.A O no hydrogen 3.063 N/A TYR 168.A N GLY 165.A O no hydrogen 3.243 N/A GLY 169.A N VAL 292.A O no hydrogen 2.847 N/A GLN 171.A NE2 GLY 165.A O no hydrogen 2.678 N/A GLN 171.A NE2 TYR 168.A O no hydrogen 2.763 N/A TYR 172.A N GLY 169.A O no hydrogen 3.285 N/A TYR 172.A OH SER 166.A O no hydrogen 2.710 N/A SER 173.A N GLN 176.A OE1 no hydrogen 2.897 N/A GLN 176.A N SER 173.A OG no hydrogen 3.399 N/A ARG 177.A N SER 173.A O no hydrogen 2.980 N/A ARG 177.A NH2 SER 342.A OG no hydrogen 2.711 N/A VAL 178.A N PRO 174.A O no hydrogen 3.114 N/A GLU 179.A N GLY 175.A O no hydrogen 3.106 N/A PHE 180.A N GLN 176.A O no hydrogen 2.808 N/A LEU 181.A N ARG 177.A O no hydrogen 3.054 N/A VAL 182.A N VAL 178.A O no hydrogen 2.940 N/A ASN 183.A N GLU 179.A O no hydrogen 3.006 N/A ALA 184.A N PHE 180.A O no hydrogen 2.986 N/A TRP 185.A N LEU 181.A O no hydrogen 2.997 N/A LYS 186.A N VAL 182.A O no hydrogen 2.901 N/A ALA 187.A N ASN 183.A O no hydrogen 3.064 N/A LYS 188.A N TRP 185.A O no hydrogen 3.379 N/A LYS 188.A NZ ASP 287.A O no hydrogen 2.784 N/A LYS 188.A NZ ASP 287.A OD2 no hydrogen 3.108 N/A LYS 188.A NZ THR 289.A OG1 no hydrogen 2.897 N/A LYS 189.A N GLU 302.A OE1 no hydrogen 3.254 N/A CYS 190.A N GLU 302.A OE2 no hydrogen 2.789 N/A MET 192.A N CYS 301.A O no hydrogen 3.145 N/A GLY 193.A N GLU 334.A O no hydrogen 3.033 N/A PHE 194.A N VAL 299.A O no hydrogen 2.935 N/A TYR 196.A N LEU 297.A O no hydrogen 3.030 N/A TYR 196.A OH ALA 325.A O no hydrogen 2.723 N/A ARG 199.A N PRO 326.A O no hydrogen 3.010 N/A ARG 199.A NH2 LYS 28.A O no hydrogen 3.540 N/A CYS 200.A SG LYS 28.A O no hydrogen 3.900 N/A SER 203.A N CYS 200.A O no hydrogen 3.014 N/A SER 203.A OG VAL 29.A O no hydrogen 2.890 N/A THR 204.A N CYS 200.A O no hydrogen 3.185 N/A THR 204.A N PHE 201.A O no hydrogen 3.005 N/A THR 204.A OG1 PHE 201.A O no hydrogen 2.707 N/A THR 204.A OG1 SER 324.A O no hydrogen 3.315 N/A VAL 205.A N PHE 201.A O no hydrogen 3.188 N/A THR 206.A N ASP 209.A OD2 no hydrogen 3.065 N/A THR 206.A OG1 GLN 35.A OE1 no hydrogen 2.742 N/A ASP 209.A N THR 206.A OG1 no hydrogen 3.175 N/A ILE 210.A N THR 206.A O no hydrogen 3.265 N/A ARG 211.A N GLU 207.A O no hydrogen 3.056 N/A ARG 211.A NH1 GLU 235.A OE1 no hydrogen 3.306 N/A VAL 212.A N ASN 208.A O no hydrogen 2.732 N/A GLU 213.A N ASP 209.A O no hydrogen 2.977 N/A GLU 214.A N ILE 210.A O no hydrogen 3.123 N/A SER 215.A N ARG 211.A O no hydrogen 2.980 N/A SER 215.A OG VAL 212.A O no hydrogen 2.635 N/A ILE 216.A N VAL 212.A O no hydrogen 3.245 N/A ILE 216.A N GLU 213.A O no hydrogen 3.123 N/A TYR 217.A N GLU 213.A O no hydrogen 3.002 N/A TYR 217.A OH GLU 213.A OE1 no hydrogen 3.356 N/A GLN 218.A N GLU 214.A O no hydrogen 2.816 N/A GLN 218.A NE2 ARG 227.A O no hydrogen 3.390 N/A CYS 219.A N ILE 216.A O no hydrogen 3.176 N/A CYS 219.A SG LYS 49.A O no hydrogen 3.837 N/A CYS 219.A SG SER 215.A O no hydrogen 3.265 N/A CYS 220.A N TYR 217.A O no hydrogen 3.086 N/A CYS 220.A SG TYR 217.A O no hydrogen 3.363 N/A ASP 221.A N VAL 55.A O no hydrogen 2.900 N/A ARG 227.A N ALA 223.A O no hydrogen 2.987 N/A ARG 227.A NH1 GLN 218.A O no hydrogen 2.898 N/A ARG 227.A NH1 GLN 218.A OE1 no hydrogen 3.067 N/A ARG 227.A NH2 CYS 220.A O no hydrogen 3.107 N/A GLN 228.A N PRO 224.A O no hydrogen 3.013 N/A GLN 228.A NE2 GLN 228.A O no hydrogen 3.136 N/A GLN 228.A NE2 SER 232.A OG no hydrogen 3.074 N/A ALA 229.A N GLU 225.A O no hydrogen 2.883 N/A ILE 230.A N ALA 226.A O no hydrogen 2.893 N/A ARG 231.A N ARG 227.A O no hydrogen 3.120 N/A ARG 231.A NE GLU 214.A OE1 no hydrogen 3.048 N/A ARG 231.A NE GLU 214.A OE2 no hydrogen 3.017 N/A ARG 231.A NH2 GLU 214.A OE1 no hydrogen 2.843 N/A ARG 231.A NH2 GLU 235.A OE2 no hydrogen 2.809 N/A SER 232.A N GLN 228.A O no hydrogen 2.844 N/A SER 232.A OG LEU 103.A O no hydrogen 2.721 N/A SER 232.A OG ASP 106.A O no hydrogen 3.433 N/A SER 232.A OG GLN 228.A O no hydrogen 3.128 N/A LEU 233.A N ALA 229.A O no hydrogen 2.817 N/A THR 234.A N ILE 230.A O no hydrogen 3.042 N/A THR 234.A OG1 ILE 230.A O no hydrogen 2.714 N/A GLU 235.A N ARG 231.A O no hydrogen 3.368 N/A ARG 236.A N SER 232.A O no hydrogen 2.966 N/A ARG 236.A NE THR 109.A O no hydrogen 2.707 N/A ARG 236.A NH1 ASP 102.A O no hydrogen 2.994 N/A ARG 236.A NH1 ASP 102.A OD2 no hydrogen 2.951 N/A ARG 236.A NH1 ASP 106.A O no hydrogen 2.800 N/A ARG 236.A NH2 ASP 102.A OD2 no hydrogen 2.779 N/A LEU 237.A N LEU 233.A O no hydrogen 2.982 N/A TYR 238.A N LEU 233.A O no hydrogen 2.870 N/A TYR 238.A OH GLU 148.A OE1 no hydrogen 2.699 N/A ILE 239.A N THR 234.A O no hydrogen 2.794 N/A GLY 241.A N ARG 254.A O no hydrogen 2.945 N/A LEU 243.A N GLY 252.A O no hydrogen 3.159 N/A THR 244.A N THR 113.A O no hydrogen 3.003 N/A THR 244.A OG1 ASP 112.A OD1 no hydrogen 2.741 N/A THR 244.A OG1 ASP 112.A OD2 no hydrogen 3.014 N/A ASN 245.A N GLN 249.A O no hydrogen 3.063 N/A ASN 245.A ND2 LEU 10.A O no hydrogen 2.770 N/A ASN 245.A ND2 GLN 249.A OE1 no hydrogen 3.076 N/A SER 246.A OG THR 12.A O no hydrogen 3.071 N/A SER 246.A OG THR 12.A OG1 no hydrogen 2.685 N/A SER 246.A OG PRO 13.A O no hydrogen 2.690 N/A LYS 247.A N ASN 245.A OD1 no hydrogen 3.233 N/A GLY 248.A N ASN 245.A O no hydrogen 3.064 N/A GLN 249.A N ASN 245.A OD1 no hydrogen 2.877 N/A CYS 251.A N LEU 243.A O no hydrogen 2.900 N/A CYS 251.A SG ALA 9.A O no hydrogen 3.716 N/A CYS 251.A SG LEU 10.A O no hydrogen 3.636 N/A TYR 253.A N THR 5.A O no hydrogen 2.847 N/A ARG 254.A N GLY 241.A O no hydrogen 2.867 N/A ARG 254.A NH1 LEU 237.A O no hydrogen 3.433 N/A ARG 254.A NH1 TYR 238.A O no hydrogen 3.386 N/A ARG 254.A NH1 CYS 256.A O no hydrogen 2.769 N/A ARG 254.A NH2 LEU 237.A O no hydrogen 2.637 N/A ARG 255.A N SER 3.A O no hydrogen 2.856 N/A ARG 255.A NH1 GLU 207.A OE2 no hydrogen 2.664 N/A CYS 256.A SG SER 3.A O no hydrogen 3.524 N/A CYS 256.A SG ARG 257.A O no hydrogen 3.883 N/A ARG 257.A N ASP 202.A O no hydrogen 3.096 N/A ARG 257.A NE ASN 268.A OD1 no hydrogen 2.764 N/A ARG 257.A NH1 GLU 213.A OE1 no hydrogen 3.058 N/A ARG 257.A NH1 GLU 213.A OE2 no hydrogen 3.274 N/A ARG 257.A NH2 GLU 213.A OE2 no hydrogen 2.675 N/A ARG 257.A NH2 ASN 268.A OD1 no hydrogen 3.352 N/A SER 259.A OG LEU 136.A O no hydrogen 3.361 N/A GLY 260.A N VAL 138.A O no hydrogen 2.807 N/A VAL 261.A N THR 264.A OG1 no hydrogen 3.170 N/A LEU 262.A N GLU 148.A OE1 no hydrogen 2.813 N/A THR 264.A N VAL 261.A O no hydrogen 3.378 N/A THR 264.A OG1 ALA 258.A O no hydrogen 2.718 N/A THR 264.A OG1 VAL 261.A O no hydrogen 2.944 N/A GLY 267.A N THR 263.A O no hydrogen 2.811 N/A ASN 268.A N THR 264.A O no hydrogen 2.945 N/A ASN 268.A ND2 ASP 202.A OD1 no hydrogen 2.945 N/A THR 269.A N SER 265.A O no hydrogen 2.876 N/A THR 269.A OG1 SER 265.A O no hydrogen 2.643 N/A LEU 270.A N CYS 266.A O no hydrogen 2.947 N/A THR 271.A N GLY 267.A O no hydrogen 3.027 N/A THR 271.A OG1 GLU 213.A OE2 no hydrogen 3.478 N/A THR 271.A OG1 GLY 267.A O no hydrogen 2.710 N/A CYS 272.A N ASN 268.A O no hydrogen 2.928 N/A CYS 272.A SG ASP 295.A O no hydrogen 3.919 N/A TYR 273.A N THR 269.A O no hydrogen 2.928 N/A LEU 274.A N LEU 270.A O no hydrogen 2.912 N/A LYS 275.A N THR 271.A O no hydrogen 3.093 N/A LYS 275.A NZ ASP 209.A OD2 no hydrogen 2.783 N/A LYS 275.A NZ TYR 323.A O no hydrogen 3.000 N/A LYS 275.A NZ SER 324.A O no hydrogen 3.073 N/A ALA 276.A N CYS 272.A O no hydrogen 2.907 N/A ALA 277.A N TYR 273.A O no hydrogen 2.768 N/A ALA 278.A N LEU 274.A O no hydrogen 3.152 N/A ALA 279.A N LYS 275.A O no hydrogen 2.884 N/A CYS 280.A N ALA 276.A O no hydrogen 2.930 N/A CYS 280.A SG ALA 276.A O no hydrogen 3.256 N/A ARG 281.A N ALA 278.A O no hydrogen 3.213 N/A ARG 281.A NH1 GLU 47.A OE2 no hydrogen 3.101 N/A ARG 281.A NH2 GLU 47.A OE1 no hydrogen 2.816 N/A ARG 281.A NH2 GLU 47.A OE2 no hydrogen 3.177 N/A ALA 282.A N ALA 278.A O no hydrogen 3.208 N/A ALA 283.A N ALA 279.A O no hydrogen 2.943 N/A LYS 284.A N ARG 281.A O no hydrogen 3.047 N/A LEU 285.A N CYS 280.A O no hydrogen 3.092 N/A THR 289.A N ILE 300.A O no hydrogen 2.818 N/A LEU 291.A N VAL 298.A O no hydrogen 3.033 N/A VAL 292.A N SER 167.A O no hydrogen 2.901 N/A CYS 293.A N ASP 296.A O no hydrogen 2.916 N/A GLY 294.A N THR 269.A OG1 no hydrogen 3.048 N/A ASP 296.A N CYS 293.A O no hydrogen 3.005 N/A VAL 298.A N LEU 291.A O no hydrogen 3.128 N/A VAL 299.A N PHE 194.A O no hydrogen 2.810 N/A ILE 300.A N THR 289.A O no hydrogen 2.816 N/A CYS 301.A N MET 192.A O no hydrogen 2.821 N/A CYS 301.A SG MET 192.A O no hydrogen 3.451 N/A GLU 302.A N GLN 286.A O no hydrogen 2.904 N/A SER 303.A N CYS 190.A O no hydrogen 2.801 N/A SER 303.A OG ASP 309.A OD2 no hydrogen 2.657 N/A ALA 304.A N ASP 309.A OD1 no hydrogen 2.903 N/A GLU 308.A N GLU 308.A OE1 no hydrogen 2.915 N/A ASP 309.A N GLY 305.A O no hydrogen 2.729 N/A GLU 310.A N THR 306.A O no hydrogen 3.212 N/A ALA 311.A N GLN 307.A O no hydrogen 3.035 N/A SER 312.A N GLU 308.A O no hydrogen 2.852 N/A SER 312.A OG GLU 308.A O no hydrogen 3.394 N/A SER 312.A OG ASP 309.A O no hydrogen 2.995 N/A LEU 313.A N ASP 309.A O no hydrogen 3.027 N/A ARG 314.A N GLU 310.A O no hydrogen 3.188 N/A ALA 315.A N ALA 311.A O no hydrogen 3.163 N/A PHE 316.A N SER 312.A O no hydrogen 2.942 N/A THR 317.A N LEU 313.A O no hydrogen 3.202 N/A THR 317.A OG1 LEU 313.A O no hydrogen 2.878 N/A GLU 318.A N ARG 314.A O no hydrogen 2.943 N/A ALA 319.A N ALA 315.A O no hydrogen 3.145 N/A MET 320.A N PHE 316.A O no hydrogen 2.874 N/A THR 321.A N THR 317.A O no hydrogen 2.809 N/A THR 321.A OG1 THR 317.A O no hydrogen 2.640 N/A ARG 322.A N GLU 318.A O no hydrogen 3.073 N/A TYR 323.A N ALA 319.A O no hydrogen 3.027 N/A TYR 323.A OH ASP 38.A OD1 no hydrogen 2.706 N/A TYR 323.A OH ASP 38.A OD2 no hydrogen 3.041 N/A SER 324.A N THR 321.A O no hydrogen 3.149 N/A SER 324.A OG THR 204.A O no hydrogen 2.742 N/A GLY 328.A N ASP 197.A O no hydrogen 3.120 N/A ASP 329.A N ASP 197.A OD2 no hydrogen 2.995 N/A GLU 334.A N GLY 193.A O no hydrogen 2.808 N/A TYR 335.A OH ASP 309.A OD2 no hydrogen 2.724 N/A LEU 339.A N ASP 336.A O no hydrogen 3.177 N/A ILE 340.A N LEU 337.A O no hydrogen 3.268 N/A SER 342.A N SER 345.A O no hydrogen 2.864 N/A CYS 343.A N ASP 296.A OD2 no hydrogen 3.068 N/A SER 345.A N SER 342.A O no hydrogen 2.912 N/A SER 345.A OG CYS 343.A O no hydrogen 3.029 N/A SER 345.A OG TYR 392.A OH no hydrogen 2.700 N/A ASN 346.A N THR 362.A O no hydrogen 2.793 N/A ASN 346.A ND2 GLU 338.A O no hydrogen 3.675 N/A ASN 346.A ND2 VAL 347.A O no hydrogen 3.091 N/A SER 348.A N TYR 360.A O no hydrogen 2.947 N/A ALA 350.A N VAL 358.A O no hydrogen 2.917 N/A HIS 351.A N HIS 452.A O no hydrogen 2.803 N/A ASP 352.A N LYS 356.A O no hydrogen 2.914 N/A SER 354.A N ASP 352.A OD1 no hydrogen 3.037 N/A SER 354.A OG ASP 352.A OD1 no hydrogen 2.949 N/A GLY 355.A N ASP 352.A O no hydrogen 3.383 N/A LYS 356.A N ASP 352.A OD1 no hydrogen 2.976 N/A VAL 358.A N ALA 350.A O no hydrogen 2.880 N/A TYR 360.A N SER 348.A O no hydrogen 3.119 N/A THR 362.A N ASN 346.A O no hydrogen 2.944 N/A THR 362.A OG1 GLU 458.A OE2 no hydrogen 2.735 N/A ARG 363.A N THR 362.A OG1 no hydrogen 2.806 N/A ARG 363.A NE ASP 364.A O no hydrogen 2.813 N/A ARG 363.A NH2 ASP 364.A O no hydrogen 3.451 N/A THR 366.A N ASP 364.A OD1 no hydrogen 3.014 N/A THR 366.A OG1 ASP 364.A OD1 no hydrogen 2.661 N/A LEU 369.A N PRO 365.A O no hydrogen 2.916 N/A ALA 370.A N THR 366.A O no hydrogen 2.915 N/A ARG 371.A N THR 367.A O no hydrogen 2.961 N/A ARG 371.A NE VAL 121.A O no hydrogen 2.755 N/A ARG 371.A NH2 VAL 121.A O no hydrogen 3.263 N/A ALA 372.A N PRO 368.A O no hydrogen 3.008 N/A ALA 373.A N LEU 369.A O no hydrogen 2.876 N/A TRP 374.A N ALA 370.A O no hydrogen 3.105 N/A GLU 375.A N ARG 371.A O no hydrogen 3.060 N/A THR 376.A N ALA 372.A O no hydrogen 3.049 N/A THR 376.A OG1 ALA 372.A O no hydrogen 3.435 N/A THR 376.A OG1 ALA 373.A O no hydrogen 2.973 N/A ALA 377.A N ALA 373.A O no hydrogen 3.198 N/A ARG 378.A N TRP 374.A O no hydrogen 2.871 N/A THR 380.A OG1 VAL 382.A O no hydrogen 3.055 N/A ASN 383.A N ASP 421.A O no hydrogen 3.135 N/A ASN 383.A ND2 ASP 421.A O no hydrogen 3.031 N/A SER 384.A N GLU 375.A OE2 no hydrogen 2.979 N/A SER 384.A OG GLU 375.A OE1 no hydrogen 3.038 N/A SER 384.A OG GLU 375.A OE2 no hydrogen 3.004 N/A TRP 385.A N GLU 375.A OE1 no hydrogen 3.036 N/A LEU 386.A N ASN 383.A O no hydrogen 3.264 N/A ASN 388.A N SER 384.A O no hydrogen 2.911 N/A ILE 389.A N TRP 385.A O no hydrogen 3.039 N/A ILE 390.A N LEU 386.A O no hydrogen 2.956 N/A MET 391.A N GLY 387.A O no hydrogen 2.843 N/A TYR 392.A N ASN 388.A O no hydrogen 2.789 N/A TYR 392.A OH SER 345.A OG no hydrogen 2.700 N/A THR 395.A N TYR 392.A O no hydrogen 2.965 N/A THR 395.A OG1 TYR 392.A O no hydrogen 2.724 N/A TRP 397.A NE1 THR 362.A OG1 no hydrogen 3.058 N/A ALA 398.A N THR 395.A OG1 no hydrogen 3.269 N/A ARG 399.A N THR 395.A O no hydrogen 3.271 N/A ARG 399.A NH1 LEU 451.A O no hydrogen 2.810 N/A ARG 399.A NH1 TYR 454.A OH no hydrogen 2.943 N/A MET 400.A N LEU 396.A O no hydrogen 3.134 N/A ILE 401.A N TRP 397.A O no hydrogen 2.988 N/A LEU 402.A N TRP 397.A O no hydrogen 3.379 N/A MET 403.A N ALA 398.A O no hydrogen 2.853 N/A THR 404.A OG1 MET 400.A O no hydrogen 2.872 N/A HIS 405.A N ILE 401.A O no hydrogen 2.952 N/A PHE 406.A N LEU 402.A O no hydrogen 3.057 N/A PHE 407.A N MET 403.A O no hydrogen 3.005 N/A SER 408.A N THR 404.A O no hydrogen 3.141 N/A SER 408.A OG THR 404.A O no hydrogen 3.489 N/A SER 408.A OG HIS 405.A O no hydrogen 2.731 N/A ILE 409.A N HIS 405.A O no hydrogen 3.358 N/A LEU 410.A N PHE 406.A O no hydrogen 2.990 N/A LEU 411.A N PHE 407.A O no hydrogen 2.962 N/A ALA 412.A N SER 408.A O no hydrogen 3.087 N/A GLN 413.A N ILE 409.A O no hydrogen 2.797 N/A GLU 414.A N LEU 411.A O no hydrogen 3.386 N/A GLN 415.A N LEU 410.A O no hydrogen 2.935 N/A GLU 417.A N GLU 417.A OE2 no hydrogen 2.883 N/A LYS 418.A N GLN 415.A O no hydrogen 3.187 N/A LEU 420.A N ILE 431.A O no hydrogen 2.777 N/A CYS 422.A N TYR 429.A O no hydrogen 2.913 N/A ILE 424.A N ALA 427.A O no hydrogen 2.879 N/A TYR 425.A OH TYR 172.A O no hydrogen 2.745 N/A ALA 427.A N ILE 424.A O no hydrogen 3.134 N/A CYS 428.A N ILE 537.A O no hydrogen 2.774 N/A TYR 429.A N CYS 422.A O no hydrogen 2.811 N/A TYR 429.A OH SER 526.A O no hydrogen 2.739 N/A SER 430.A N HIS 539.A O no hydrogen 3.115 N/A SER 430.A OG ASP 421.A OD1 no hydrogen 3.542 N/A ILE 431.A N LEU 420.A O no hydrogen 2.817 N/A LEU 434.A N LEU 416.A O no hydrogen 3.355 N/A ASP 435.A N GLU 432.A O no hydrogen 2.874 N/A LEU 436.A N PRO 433.A O no hydrogen 2.972 N/A ILE 439.A N ASP 435.A O no hydrogen 3.089 N/A ILE 440.A N LEU 436.A O no hydrogen 3.003 N/A GLN 441.A N PRO 437.A O no hydrogen 3.085 N/A GLN 441.A NE2 ILE 516.A O no hydrogen 3.637 N/A ARG 442.A N GLN 438.A O no hydrogen 3.233 N/A ARG 442.A NH1 ALA 519.A O no hydrogen 2.753 N/A ARG 442.A NH1 LEU 522.A O no hydrogen 2.810 N/A LEU 443.A N ILE 439.A O no hydrogen 2.993 N/A HIS 444.A N ILE 440.A O no hydrogen 2.809 N/A HIS 444.A NE2 ILE 390.A O no hydrogen 2.733 N/A GLY 445.A N ILE 440.A O no hydrogen 3.332 N/A ALA 448.A N GLY 445.A O no hydrogen 3.185 N/A PHE 449.A N LEU 446.A O no hydrogen 3.248 N/A SER 450.A N SER 447.A O no hydrogen 2.842 N/A HIS 452.A N HIS 351.A O no hydrogen 2.896 N/A SER 453.A OG HIS 452.A ND1 no hydrogen 2.906 N/A TYR 454.A OH PRO 394.A O no hydrogen 2.643 N/A GLU 458.A N SER 455.A OG no hydrogen 3.117 N/A ILE 459.A N SER 455.A O no hydrogen 3.075 N/A ASN 460.A N PRO 456.A O no hydrogen 2.930 N/A ARG 461.A N GLY 457.A O no hydrogen 3.093 N/A ARG 461.A NH2 ASN 346.A OD1 no hydrogen 2.822 N/A ARG 461.A NH2 GLU 458.A OE1 no hydrogen 3.153 N/A VAL 462.A N GLU 458.A O no hydrogen 3.047 N/A ALA 463.A N ILE 459.A O no hydrogen 2.846 N/A SER 464.A N ASN 460.A O no hydrogen 2.858 N/A SER 464.A OG ASN 460.A O no hydrogen 2.855 N/A CYS 465.A N ARG 461.A O no hydrogen 3.123 N/A CYS 465.A SG THR 366.A OG1 no hydrogen 3.501 N/A LEU 466.A N VAL 462.A O no hydrogen 3.075 N/A ARG 467.A N ALA 463.A O no hydrogen 3.229 N/A LYS 468.A N SER 464.A O no hydrogen 3.020 N/A LYS 468.A NZ THR 366.A OG1 no hydrogen 2.804 N/A LEU 469.A N CYS 465.A O no hydrogen 3.074 N/A GLY 470.A N ARG 467.A O no hydrogen 3.476 N/A VAL 471.A N LEU 466.A O no hydrogen 2.951 N/A VAL 476.A N PRO 473.A O no hydrogen 2.959 N/A TRP 477.A NE1 PRO 472.A O no hydrogen 2.935 N/A ARG 478.A N LEU 474.A O no hydrogen 3.018 N/A HIS 479.A N ARG 475.A O no hydrogen 3.285 N/A ARG 480.A N VAL 476.A O no hydrogen 2.981 N/A ALA 481.A N TRP 477.A O no hydrogen 2.879 N/A ARG 482.A N ARG 478.A O no hydrogen 3.345 N/A SER 483.A N ARG 480.A O no hydrogen 3.260 N/A VAL 484.A N ARG 480.A O no hydrogen 3.181 N/A ARG 485.A N ALA 481.A O no hydrogen 2.806 N/A ALA 486.A N ARG 482.A O no hydrogen 3.055 N/A ARG 487.A N SER 483.A O no hydrogen 2.941 N/A ARG 487.A NE SER 483.A O no hydrogen 3.450 N/A LEU 488.A N VAL 484.A O no hydrogen 2.883 N/A LEU 489.A N ARG 485.A O no hydrogen 2.855 N/A SER 490.A N ALA 486.A O no hydrogen 3.204 N/A SER 490.A OG ARG 487.A O no hydrogen 2.797 N/A GLN 491.A N LEU 488.A O no hydrogen 2.982 N/A GLY 492.A N LEU 489.A O no hydrogen 3.423 N/A ARG 494.A NH1 GLU 432.A OE1 no hydrogen 2.999 N/A ARG 494.A NH1 ASP 435.A OD1 no hydrogen 2.803 N/A ARG 494.A NH2 GLU 432.A OE1 no hydrogen 3.342 N/A ALA 496.A N GLY 492.A O no hydrogen 3.035 N/A THR 497.A N GLY 493.A O no hydrogen 3.337 N/A THR 497.A OG1 GLY 493.A O no hydrogen 3.214 N/A CYS 498.A N ARG 494.A O no hydrogen 2.995 N/A CYS 498.A SG LEU 434.A O no hydrogen 3.782 N/A CYS 498.A SG ARG 494.A O no hydrogen 3.480 N/A GLY 499.A N ALA 495.A O no hydrogen 3.238 N/A LYS 500.A N ALA 496.A O no hydrogen 2.837 N/A TYR 501.A N THR 497.A O no hydrogen 2.914 N/A TYR 501.A OH THR 514.A O no hydrogen 2.635 N/A LEU 502.A N CYS 498.A O no hydrogen 2.877 N/A PHE 503.A N GLY 499.A O no hydrogen 3.333 N/A ALA 506.A N PHE 503.A O no hydrogen 3.185 N/A VAL 507.A N ASN 504.A O no hydrogen 3.504 N/A LYS 510.A NZ TRP 505.A O no hydrogen 3.443 N/A LYS 510.A NZ VAL 507.A O no hydrogen 2.795 N/A LEU 511.A N ASN 504.A OD1 no hydrogen 3.217 N/A ILE 516.A N GLN 441.A OE1 no hydrogen 2.796 N/A ALA 519.A N ILE 516.A O no hydrogen 3.265 N/A GLN 521.A N ALA 518.A O no hydrogen 3.166 N/A ASP 523.A N SER 542.A O no hydrogen 2.813 N/A SER 525.A N ASP 523.A OD1 no hydrogen 3.328 N/A SER 525.A OG ASP 523.A OD1 no hydrogen 2.716 N/A TRP 527.A N LEU 524.A O no hydrogen 3.268 N/A GLY 531.A N TYR 168.A OH no hydrogen 3.058 N/A TYR 532.A N TYR 425.A O no hydrogen 2.814 N/A TYR 532.A OH SER 157.A OG no hydrogen 2.628 N/A GLY 535.A N TYR 532.A O no hydrogen 2.719 N/A TYR 538.A N LEU 68.A O no hydrogen 2.811 N/A HIS 539.A N CYS 428.A O no hydrogen 2.855 N/A LEU 541.A N SER 430.A O no hydrogen 3.177 N/A SER 542.A OG SER 540.A O no hydrogen 3.462 N/A ARG 543.A NH1 GLN 438.A OE1 no hydrogen 2.790 N/A ARG 543.A NH2 GLN 438.A OE1 no hydrogen 2.793 N/A ALA 544.A N GLN 521.A O no hydrogen 2.766 N/A MET 550.A N ARG 547.A O no hydrogen 3.001 N/A