Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ij5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG CYS 60.A O no hydrogen 2.770 N/A ALA 6.A N SER 3.A OG no hydrogen 3.252 N/A HIS 7.A N SER 3.A O no hydrogen 3.125 N/A ARG 8.A N GLU 4.A O no hydrogen 3.026 N/A ARG 8.A NH1 ASP 252.A OD2 no hydrogen 3.198 N/A PHE 9.A N ILE 5.A O no hydrogen 3.121 N/A ASN 10.A N ALA 6.A O no hydrogen 2.978 N/A ASP 11.A N HIS 7.A O no hydrogen 2.971 N/A LEU 12.A N ARG 8.A O no hydrogen 2.844 N/A GLY 13.A N PHE 9.A O no hydrogen 2.869 N/A PHE 17.A N GLY 13.A O no hydrogen 2.828 N/A LYS 18.A N GLU 14.A O no hydrogen 2.793 N/A GLY 19.A N LYS 15.A O no hydrogen 3.048 N/A LEU 20.A N HIS 16.A O no hydrogen 2.907 N/A VAL 21.A N PHE 17.A O no hydrogen 3.064 N/A LEU 22.A N LYS 18.A O no hydrogen 2.998 N/A VAL 23.A N GLY 19.A O no hydrogen 3.191 N/A ALA 24.A N LEU 20.A O no hydrogen 2.764 N/A PHE 25.A N VAL 21.A O no hydrogen 2.984 N/A SER 26.A N LEU 22.A O no hydrogen 3.148 N/A SER 26.A OG LEU 22.A O no hydrogen 2.693 N/A GLN 27.A N VAL 23.A O no hydrogen 3.066 N/A GLN 27.A N ALA 24.A O no hydrogen 3.170 N/A GLN 27.A NE2 HIS 143.A O no hydrogen 3.441 N/A GLN 27.A NE2 PHE 146.A O no hydrogen 2.878 N/A TYR 28.A N ALA 24.A O no hydrogen 3.209 N/A LEU 29.A N PHE 25.A O no hydrogen 2.992 N/A GLN 30.A NE2 ASP 105.A O no hydrogen 2.860 N/A GLN 30.A NE2 ARG 141.A O no hydrogen 2.891 N/A GLN 31.A NE2 THR 81.A O no hydrogen 3.403 N/A CYS 32.A N TYR 82.A OH no hydrogen 2.623 N/A HIS 37.A NE2 LEU 29.A O no hydrogen 2.893 N/A VAL 38.A N PHE 34.A O no hydrogen 3.208 N/A LYS 39.A N GLU 35.A O no hydrogen 3.234 N/A LEU 40.A N ASP 36.A O no hydrogen 3.262 N/A VAL 41.A N HIS 37.A O no hydrogen 2.893 N/A ASN 42.A N VAL 38.A O no hydrogen 3.072 N/A GLU 43.A N LYS 39.A O no hydrogen 3.050 N/A VAL 44.A N LEU 40.A O no hydrogen 3.055 N/A THR 45.A N VAL 41.A O no hydrogen 3.019 N/A THR 45.A OG1 VAL 41.A O no hydrogen 2.853 N/A GLU 46.A N ASN 42.A O no hydrogen 2.951 N/A PHE 47.A N GLU 43.A O no hydrogen 3.027 N/A ALA 48.A N VAL 44.A O no hydrogen 2.804 N/A LYS 49.A N THR 45.A O no hydrogen 2.887 N/A LYS 50.A N GLU 46.A O no hydrogen 3.049 N/A CYS 51.A N PHE 47.A O no hydrogen 3.037 N/A CYS 51.A SG PHE 47.A O no hydrogen 3.240 N/A ALA 52.A N ALA 48.A O no hydrogen 3.115 N/A ALA 53.A N LYS 49.A O no hydrogen 3.351 N/A ASP 54.A N LYS 50.A O no hydrogen 3.245 N/A ALA 57.A N ASP 54.A O no hydrogen 3.101 N/A CYS 60.A N ALA 57.A O no hydrogen 3.257 N/A CYS 60.A SG ASP 54.A O no hydrogen 4.002 N/A CYS 60.A SG ALA 57.A O no hydrogen 3.287 N/A CYS 60.A SG GLU 58.A O no hydrogen 3.796 N/A LYS 62.A N ASN 59.A O no hydrogen 3.351 N/A SER 63.A OG THR 66.A OG1 no hydrogen 2.598 N/A THR 66.A N SER 63.A OG no hydrogen 3.086 N/A THR 66.A OG1 SER 63.A OG no hydrogen 2.598 N/A LEU 67.A N SER 63.A O no hydrogen 3.026 N/A PHE 68.A N LEU 64.A O no hydrogen 2.989 N/A GLY 69.A N HIS 65.A O no hydrogen 2.962 N/A ASP 70.A N THR 66.A O no hydrogen 2.943 N/A LYS 71.A N LEU 67.A O no hydrogen 3.117 N/A LYS 71.A NZ GLU 43.A OE1 no hydrogen 3.108 N/A LEU 72.A N PHE 68.A O no hydrogen 3.097 N/A CYS 73.A N GLY 69.A O no hydrogen 3.208 N/A CYS 73.A SG GLY 69.A O no hydrogen 3.219 N/A THR 74.A N ASP 70.A O no hydrogen 3.267 N/A THR 74.A N LYS 71.A O no hydrogen 3.277 N/A THR 74.A OG1 LYS 71.A O no hydrogen 2.877 N/A VAL 75.A N LEU 72.A O no hydrogen 3.287 N/A THR 77.A OG1 ALA 76.A O no hydrogen 2.546 N/A ARG 79.A NH2 ASP 87.A OD1 no hydrogen 3.448 N/A THR 81.A N THR 77.A O no hydrogen 2.970 N/A THR 81.A OG1 THR 77.A O no hydrogen 3.317 N/A TYR 82.A N LEU 78.A O no hydrogen 2.766 N/A GLY 83.A N ARG 79.A O no hydrogen 2.907 N/A LEU 85.A N TYR 82.A O no hydrogen 3.211 N/A ALA 86.A N GLY 83.A O no hydrogen 3.355 N/A ASP 87.A N GLU 84.A O no hydrogen 2.979 N/A CYS 88.A N LEU 85.A O no hydrogen 3.208 N/A CYS 89.A N ALA 86.A O no hydrogen 3.164 N/A GLU 90.A N ASP 87.A O no hydrogen 3.260 N/A LYS 91.A N CYS 88.A O no hydrogen 3.170 N/A ARG 96.A N GLN 92.A O no hydrogen 3.077 N/A ARG 96.A NE GLU 93.A OE2 no hydrogen 3.176 N/A ARG 96.A NH1 ASP 70.A OD1 no hydrogen 2.653 N/A ARG 96.A NH2 HIS 65.A O no hydrogen 3.544 N/A ARG 96.A NH2 THR 66.A O no hydrogen 3.044 N/A ARG 96.A NH2 ASP 70.A OD1 no hydrogen 2.962 N/A ASN 97.A ND2 TYR 28.A OH no hydrogen 3.070 N/A GLU 98.A N PRO 94.A O no hydrogen 3.422 N/A CYS 99.A N GLU 95.A O no hydrogen 3.120 N/A PHE 100.A N ARG 96.A O no hydrogen 3.148 N/A LEU 101.A N ASN 97.A O no hydrogen 3.000 N/A THR 102.A N GLU 98.A O no hydrogen 3.074 N/A HIS 103.A N PHE 100.A O no hydrogen 3.214 N/A LYS 104.A N LEU 101.A O no hydrogen 3.379 N/A LYS 104.A NZ PRO 144.A O no hydrogen 2.869 N/A ASP 105.A N GLN 30.A OE1 no hydrogen 2.818 N/A HIS 107.A N ASP 105.A OD1 no hydrogen 3.002 N/A LYS 114.A N LYS 112.A O no hydrogen 2.819 N/A GLN 120.A N GLU 116.A O no hydrogen 2.643 N/A CYS 121.A N PRO 117.A O no hydrogen 3.185 N/A CYS 121.A SG PRO 117.A O no hydrogen 3.486 N/A ALA 123.A N ALA 119.A O no hydrogen 3.446 N/A PHE 124.A N GLN 120.A O no hydrogen 2.681 N/A GLN 125.A N CYS 121.A O no hydrogen 2.735 N/A GLU 126.A N ALA 122.A O no hydrogen 3.125 N/A ASP 127.A N ALA 123.A O no hydrogen 3.103 N/A PHE 131.A N ASP 127.A O no hydrogen 2.932 N/A LEU 132.A N PRO 128.A O no hydrogen 3.035 N/A GLY 133.A N ASP 129.A O no hydrogen 3.187 N/A LYS 134.A N LYS 130.A O no hydrogen 2.711 N/A LYS 134.A NZ GLU 138.A OE2 no hydrogen 2.862 N/A TYR 135.A N PHE 131.A O no hydrogen 3.320 N/A LEU 136.A N LEU 132.A O no hydrogen 3.442 N/A TYR 137.A N GLY 133.A O no hydrogen 3.267 N/A TYR 137.A OH CYS 32.A O no hydrogen 2.930 N/A GLU 138.A N LYS 134.A O no hydrogen 2.831 N/A VAL 139.A N TYR 135.A O no hydrogen 3.019 N/A ALA 140.A N LEU 136.A O no hydrogen 2.918 N/A ARG 141.A N TYR 137.A O no hydrogen 3.109 N/A ARG 141.A NE GLU 138.A OE1 no hydrogen 3.080 N/A ARG 141.A NH2 GLN 30.A O no hydrogen 2.557 N/A ARG 142.A NH1 GLU 138.A O no hydrogen 2.825 N/A ARG 142.A NH1 GLU 138.A OE1 no hydrogen 2.630 N/A ARG 142.A NH2 PRO 111.A O no hydrogen 2.713 N/A HIS 143.A N VAL 139.A O no hydrogen 2.887 N/A PHE 146.A N HIS 143.A O no hydrogen 3.489 N/A LEU 151.A N TYR 147.A O no hydrogen 3.161 N/A LEU 151.A N GLY 148.A O no hydrogen 3.051 N/A LEU 152.A N GLY 148.A O no hydrogen 3.348 N/A PHE 153.A N PRO 149.A O no hydrogen 3.360 N/A HIS 154.A N GLU 150.A O no hydrogen 3.239 N/A HIS 154.A ND1 GLU 157.A OE1 no hydrogen 2.836 N/A ALA 155.A N LEU 151.A O no hydrogen 2.737 N/A GLU 156.A N LEU 152.A O no hydrogen 3.017 N/A GLU 157.A N PHE 153.A O no hydrogen 3.128 N/A TYR 158.A N HIS 154.A O no hydrogen 3.053 N/A LYS 159.A N ALA 155.A O no hydrogen 3.252 N/A ALA 160.A N GLU 156.A O no hydrogen 3.293 N/A ASP 161.A N GLU 157.A O no hydrogen 3.177 N/A PHE 162.A N TYR 158.A O no hydrogen 3.330 N/A THR 163.A N LYS 159.A O no hydrogen 2.936 N/A THR 163.A OG1 LYS 159.A O no hydrogen 2.825 N/A GLU 164.A N ALA 160.A O no hydrogen 3.396 N/A CYS 165.A N ASP 161.A O no hydrogen 2.808 N/A CYS 166.A N PHE 162.A O no hydrogen 3.068 N/A CYS 166.A SG PHE 162.A O no hydrogen 3.224 N/A ALA 168.A N CYS 165.A O no hydrogen 3.319 N/A LYS 171.A N ASP 169.A O no hydrogen 3.007 N/A ALA 173.A N ASP 170.A OD1 no hydrogen 3.413 N/A LEU 175.A N LEU 172.A O no hydrogen 2.963 N/A ILE 176.A N LEU 172.A O no hydrogen 2.785 N/A LEU 179.A N LEU 175.A O no hydrogen 2.700 N/A ASP 180.A N ILE 176.A O no hydrogen 2.989 N/A ALA 181.A N PRO 177.A O no hydrogen 3.303 N/A LEU 182.A N LYS 178.A O no hydrogen 3.118 N/A LYS 183.A N LEU 179.A O no hydrogen 2.855 N/A GLU 184.A N ASP 180.A O no hydrogen 3.455 N/A ARG 185.A N ALA 181.A O no hydrogen 3.262 N/A ILE 186.A N LEU 182.A O no hydrogen 2.940 N/A LEU 187.A N LYS 183.A O no hydrogen 2.947 N/A LEU 188.A N GLU 184.A O no hydrogen 3.210 N/A SER 189.A N ARG 185.A O no hydrogen 2.992 N/A SER 190.A N ILE 186.A O no hydrogen 2.875 N/A SER 190.A OG HIS 143.A ND1 no hydrogen 3.080 N/A ALA 191.A N LEU 187.A O no hydrogen 3.091 N/A LYS 192.A N LEU 188.A O no hydrogen 2.987 N/A GLU 193.A N SER 189.A O no hydrogen 3.098 N/A ARG 194.A N SER 190.A O no hydrogen 2.863 N/A ARG 194.A NE ASP 106.A OD1 no hydrogen 2.824 N/A ARG 194.A NH1 ARG 194.A O no hydrogen 3.539 N/A ARG 194.A NH2 ASP 106.A OD1 no hydrogen 3.552 N/A ARG 194.A NH2 ASP 106.A OD2 no hydrogen 3.071 N/A LEU 195.A N ALA 191.A O no hydrogen 3.183 N/A LYS 196.A N LYS 192.A O no hydrogen 3.334 N/A CYS 197.A N GLU 193.A O no hydrogen 3.089 N/A CYS 197.A SG GLU 193.A O no hydrogen 3.471 N/A SER 198.A N ARG 194.A O no hydrogen 2.876 N/A SER 198.A OG ARG 194.A O no hydrogen 3.097 N/A SER 198.A OG ASN 455.A OD1 no hydrogen 3.265 N/A SER 199.A N LEU 195.A O no hydrogen 2.894 N/A SER 199.A OG LEU 195.A O no hydrogen 2.728 N/A PHE 200.A N LYS 196.A O no hydrogen 3.232 N/A GLN 201.A N CYS 197.A O no hydrogen 3.026 N/A ASN 202.A N SER 198.A O no hydrogen 3.091 N/A PHE 203.A N SER 199.A O no hydrogen 2.889 N/A GLY 204.A N SER 199.A O no hydrogen 3.117 N/A GLY 204.A N PHE 200.A O no hydrogen 3.125 N/A LYS 209.A N GLU 205.A O no hydrogen 2.743 N/A ALA 210.A N ARG 206.A O no hydrogen 3.153 N/A TRP 211.A N ALA 207.A O no hydrogen 3.098 N/A SER 212.A N VAL 208.A O no hydrogen 2.936 N/A SER 212.A OG VAL 208.A O no hydrogen 2.873 N/A VAL 213.A N LYS 209.A O no hydrogen 2.776 N/A ALA 214.A N ALA 210.A O no hydrogen 2.920 N/A ARG 215.A N TRP 211.A O no hydrogen 3.024 N/A ARG 215.A NH1 GLN 218.A OE1 no hydrogen 3.017 N/A ARG 215.A NH1 GLU 292.A OE1 no hydrogen 2.807 N/A LEU 216.A N SER 212.A O no hydrogen 2.745 N/A SER 217.A N VAL 213.A O no hydrogen 3.064 N/A SER 217.A OG VAL 213.A O no hydrogen 2.635 N/A GLN 218.A N ALA 214.A O no hydrogen 3.281 N/A GLN 218.A NE2 HIS 335.A O no hydrogen 3.118 N/A GLN 218.A NE2 TYR 338.A O no hydrogen 2.645 N/A LYS 219.A N ARG 215.A O no hydrogen 2.924 N/A LYS 219.A NZ ALA 288.A O no hydrogen 3.026 N/A PHE 220.A N LEU 216.A O no hydrogen 2.696 N/A ALA 223.A N PHE 220.A O no hydrogen 3.045 N/A GLU 227.A N ASP 224.A OD1 no hydrogen 3.055 N/A VAL 228.A N ASP 224.A O no hydrogen 3.013 N/A SER 229.A N PHE 225.A O no hydrogen 2.875 N/A SER 229.A OG PHE 225.A O no hydrogen 2.971 N/A LYS 230.A N ALA 226.A O no hydrogen 3.078 N/A LYS 230.A NZ ASP 234.A OD2 no hydrogen 3.011 N/A ILE 231.A N GLU 227.A O no hydrogen 3.049 N/A VAL 232.A N VAL 228.A O no hydrogen 2.907 N/A THR 233.A N SER 229.A O no hydrogen 3.016 N/A THR 233.A OG1 SER 229.A O no hydrogen 2.882 N/A ASP 234.A N LYS 230.A O no hydrogen 2.988 N/A LEU 235.A N ILE 231.A O no hydrogen 2.739 N/A THR 236.A N VAL 232.A O no hydrogen 2.827 N/A THR 236.A OG1 VAL 232.A O no hydrogen 2.991 N/A LYS 237.A N THR 233.A O no hydrogen 3.252 N/A LYS 237.A NZ GLU 241.A OE2 no hydrogen 3.243 N/A LYS 237.A NZ ASP 253.A OD2 no hydrogen 3.449 N/A VAL 238.A N ASP 234.A O no hydrogen 3.220 N/A HIS 239.A N LEU 235.A O no hydrogen 3.124 N/A LYS 240.A N THR 236.A O no hydrogen 2.956 N/A GLU 241.A N LYS 237.A O no hydrogen 3.081 N/A CYS 242.A N VAL 238.A O no hydrogen 2.983 N/A CYS 243.A N HIS 239.A O no hydrogen 2.806 N/A HIS 244.A N LYS 240.A O no hydrogen 2.802 N/A GLY 245.A N CYS 242.A O no hydrogen 3.420 N/A GLU 249.A N GLU 249.A OE2 no hydrogen 3.282 N/A CYS 250.A N ASP 246.A O no hydrogen 2.976 N/A CYS 250.A SG VAL 238.A O no hydrogen 3.445 N/A ALA 251.A N LEU 247.A O no hydrogen 3.231 N/A ASP 252.A N LEU 248.A O no hydrogen 3.038 N/A ASP 253.A N GLU 249.A O no hydrogen 2.845 N/A ARG 254.A N CYS 250.A O no hydrogen 2.982 N/A ALA 255.A N ALA 251.A O no hydrogen 3.128 N/A ASP 256.A N ASP 252.A O no hydrogen 3.201 N/A LEU 257.A N ASP 253.A O no hydrogen 3.177 N/A ALA 258.A N ARG 254.A O no hydrogen 3.018 N/A LYS 259.A N ALA 255.A O no hydrogen 2.968 N/A TYR 260.A N ASP 256.A O no hydrogen 2.990 N/A TYR 260.A OH GLU 227.A OE2 no hydrogen 2.331 N/A ILE 261.A N LEU 257.A O no hydrogen 2.820 N/A CYS 262.A N ALA 258.A O no hydrogen 2.922 N/A CYS 262.A SG ALA 258.A O no hydrogen 3.537 N/A GLU 263.A N LYS 259.A O no hydrogen 2.842 N/A HIS 264.A N ILE 261.A O no hydrogen 3.199 N/A HIS 264.A ND1 TYR 260.A O no hydrogen 2.936 N/A GLN 265.A NE2 CYS 262.A O no hydrogen 3.564 N/A SER 267.A OG GLU 227.A OE1 no hydrogen 2.630 N/A ILE 268.A N GLN 265.A O no hydrogen 3.298 N/A SER 269.A N GLN 265.A O no hydrogen 2.757 N/A LYS 271.A N SER 269.A OG no hydrogen 3.132 N/A LEU 272.A N SER 269.A O no hydrogen 3.333 N/A CYS 276.A N LEU 272.A O no hydrogen 3.063 N/A CYS 276.A N LYS 273.A O no hydrogen 3.312 N/A CYS 276.A SG LEU 272.A O no hydrogen 3.345 N/A LYS 278.A N CYS 275.A O no hydrogen 3.220 N/A GLN 282.A N GLN 282.A OE1 no hydrogen 2.639 N/A LYS 283.A N PRO 279.A O no hydrogen 2.840 N/A SER 284.A N LEU 280.A O no hydrogen 3.060 N/A SER 284.A OG LEU 280.A O no hydrogen 2.760 N/A HIS 285.A N LEU 281.A O no hydrogen 3.236 N/A HIS 285.A NE2 HIS 154.A NE2 no hydrogen 3.152 N/A CYS 286.A N GLN 282.A O no hydrogen 2.952 N/A ILE 287.A N LYS 283.A O no hydrogen 3.134 N/A ALA 288.A N SER 284.A O no hydrogen 3.103 N/A GLU 289.A N HIS 285.A O no hydrogen 2.973 N/A VAL 290.A N ILE 287.A O no hydrogen 3.426 N/A ASP 293.A N LYS 219.A O no hydrogen 3.152 N/A ASP 294.A N ASP 293.A OD1 no hydrogen 2.808 N/A PHE 306.A N LEU 302.A O no hydrogen 3.183 N/A ALA 307.A N ALA 303.A O no hydrogen 3.028 N/A GLU 308.A N ALA 303.A O no hydrogen 2.814 N/A ASP 309.A N ALA 304.A O no hydrogen 2.866 N/A GLU 311.A N ASP 309.A OD1 no hydrogen 2.707 N/A HIS 315.A N GLU 311.A O no hydrogen 2.961 N/A TYR 316.A N ILE 312.A O no hydrogen 2.545 N/A LYS 317.A N CYS 313.A O no hydrogen 3.015 N/A ASP 318.A N LYS 314.A O no hydrogen 2.954 N/A ALA 319.A N HIS 315.A O no hydrogen 3.464 N/A LYS 320.A NZ GLU 355.A OE2 no hydrogen 2.854 N/A PHE 323.A N ALA 319.A O no hydrogen 2.793 N/A LEU 324.A N LYS 320.A O no hydrogen 3.082 N/A GLY 325.A N ASP 321.A O no hydrogen 3.087 N/A THR 326.A N VAL 322.A O no hydrogen 3.176 N/A THR 326.A OG1 VAL 322.A O no hydrogen 2.837 N/A PHE 327.A N PHE 323.A O no hydrogen 3.112 N/A LEU 328.A N LEU 324.A O no hydrogen 2.762 N/A TYR 329.A N GLY 325.A O no hydrogen 2.763 N/A TYR 329.A OH ALA 223.A O no hydrogen 2.668 N/A GLU 330.A N THR 326.A O no hydrogen 2.856 N/A TYR 331.A N PHE 327.A O no hydrogen 2.826 N/A SER 332.A N LEU 328.A O no hydrogen 2.968 N/A SER 332.A OG LEU 328.A O no hydrogen 2.616 N/A ARG 333.A N TYR 329.A O no hydrogen 3.233 N/A ARG 333.A NE PRO 221.A O no hydrogen 2.972 N/A ARG 333.A NH1 PRO 221.A O no hydrogen 2.529 N/A ARG 333.A NH2 GLU 330.A OE1 no hydrogen 2.987 N/A ARG 334.A NE GLU 330.A O no hydrogen 2.931 N/A ARG 334.A NH1 PRO 300.A O no hydrogen 2.454 N/A ARG 334.A NH2 GLU 330.A OE1 no hydrogen 2.966 N/A HIS 335.A N SER 332.A O no hydrogen 3.247 N/A HIS 335.A ND1 TYR 331.A O no hydrogen 2.849 N/A TYR 338.A N HIS 335.A O no hydrogen 3.183 N/A SER 339.A OG GLU 447.A OE1 no hydrogen 2.624 N/A VAL 340.A N ASN 448.A OD1 no hydrogen 3.224 N/A SER 341.A OG GLU 447.A OE2 no hydrogen 3.522 N/A LEU 342.A N SER 339.A OG no hydrogen 3.292 N/A LEU 343.A N SER 339.A O no hydrogen 3.177 N/A LEU 344.A N VAL 340.A O no hydrogen 2.997 N/A ARG 345.A N SER 341.A O no hydrogen 2.817 N/A ARG 345.A NE ALA 479.A O no hydrogen 3.448 N/A ARG 345.A NH1 GLU 447.A OE2 no hydrogen 2.669 N/A ARG 345.A NH1 ALA 479.A O no hydrogen 3.316 N/A ARG 345.A NH2 GLU 447.A OE2 no hydrogen 3.336 N/A ILE 346.A N LEU 342.A O no hydrogen 2.890 N/A ALA 347.A N LEU 343.A O no hydrogen 3.000 N/A LYS 348.A N LEU 344.A O no hydrogen 2.865 N/A THR 349.A N ARG 345.A O no hydrogen 3.163 N/A THR 349.A OG1 ARG 345.A O no hydrogen 3.066 N/A TYR 350.A N ILE 346.A O no hydrogen 2.976 N/A TYR 350.A OH PHE 306.A O no hydrogen 2.712 N/A GLU 351.A N ALA 347.A O no hydrogen 3.046 N/A ALA 352.A N LYS 348.A O no hydrogen 2.991 N/A THR 353.A N THR 349.A O no hydrogen 2.854 N/A THR 353.A OG1 THR 349.A O no hydrogen 2.744 N/A LEU 354.A N TYR 350.A O no hydrogen 3.169 N/A GLU 355.A N GLU 351.A O no hydrogen 3.252 N/A LYS 356.A N ALA 352.A O no hydrogen 3.388 N/A CYS 357.A N THR 353.A O no hydrogen 2.846 N/A CYS 358.A N LEU 354.A O no hydrogen 2.963 N/A GLU 360.A N LYS 356.A O no hydrogen 3.120 N/A CYS 366.A N ASP 362.A O no hydrogen 3.390 N/A TYR 367.A N PRO 363.A O no hydrogen 2.759 N/A TYR 367.A OH ASP 309.A O no hydrogen 3.148 N/A ARG 368.A N PRO 364.A O no hydrogen 3.209 N/A VAL 370.A N TYR 367.A O no hydrogen 3.101 N/A ASP 372.A N THR 369.A O no hydrogen 3.210 N/A GLN 373.A N VAL 370.A O no hydrogen 3.168 N/A PHE 374.A N PHE 371.A O no hydrogen 3.387 N/A THR 375.A OG1 ASP 372.A O no hydrogen 3.109 N/A VAL 378.A N PHE 374.A O no hydrogen 3.110 N/A GLU 379.A N THR 375.A O no hydrogen 3.301 N/A GLU 380.A N PRO 376.A O no hydrogen 3.374 N/A LYS 382.A N VAL 378.A O no hydrogen 3.403 N/A SER 383.A N GLU 379.A O no hydrogen 2.906 N/A SER 383.A OG GLU 379.A O no hydrogen 2.977 N/A LEU 384.A N GLU 380.A O no hydrogen 3.296 N/A VAL 385.A N PRO 381.A O no hydrogen 3.136 N/A LYS 386.A N LYS 382.A O no hydrogen 3.187 N/A LYS 387.A N SER 383.A O no hydrogen 3.048 N/A ASN 388.A N LEU 384.A O no hydrogen 3.064 N/A CYS 389.A N VAL 385.A O no hydrogen 2.873 N/A ASP 390.A N LYS 386.A O no hydrogen 2.894 N/A LEU 391.A N LYS 387.A O no hydrogen 3.151 N/A PHE 392.A N ASN 388.A O no hydrogen 2.757 N/A GLU 393.A N CYS 389.A O no hydrogen 2.897 N/A GLU 394.A N ASP 390.A O no hydrogen 2.929 N/A VAL 395.A N LEU 391.A O no hydrogen 2.954 N/A GLY 396.A N PHE 392.A O no hydrogen 2.815 N/A PHE 400.A N GLY 396.A O no hydrogen 3.027 N/A GLN 401.A N GLU 397.A O no hydrogen 2.758 N/A GLN 401.A NE2 ARG 425.A O no hydrogen 2.971 N/A ASN 402.A N TYR 398.A O no hydrogen 2.994 N/A ALA 403.A N ASP 399.A O no hydrogen 2.860 N/A LEU 404.A N PHE 400.A O no hydrogen 2.987 N/A ILE 405.A N GLN 401.A O no hydrogen 2.882 N/A VAL 406.A N ASN 402.A O no hydrogen 2.986 N/A ARG 407.A N ALA 403.A O no hydrogen 2.965 N/A ARG 407.A NH1 ASN 388.A OD1 no hydrogen 3.106 N/A ARG 407.A NH2 ASN 388.A OD1 no hydrogen 3.160 N/A TYR 408.A N LEU 404.A O no hydrogen 2.763 N/A THR 409.A N ILE 405.A O no hydrogen 2.965 N/A THR 409.A OG1 ILE 405.A O no hydrogen 2.544 N/A LYS 410.A N VAL 406.A O no hydrogen 3.140 N/A LYS 410.A NZ PRO 534.A O no hydrogen 3.325 N/A LYS 410.A NZ ALA 536.A O no hydrogen 2.906 N/A LYS 411.A N ARG 407.A O no hydrogen 3.142 N/A LYS 411.A NZ PHE 485.A O no hydrogen 2.772 N/A LYS 411.A NZ LEU 488.A O no hydrogen 3.136 N/A ALA 412.A N TYR 408.A O no hydrogen 2.984 N/A VAL 415.A N ALA 412.A O no hydrogen 3.293 N/A THR 417.A OG1 GLU 528.A OE2 no hydrogen 2.673 N/A THR 419.A OG1 SER 416.A OG no hydrogen 3.105 N/A LEU 420.A N SER 416.A O no hydrogen 3.060 N/A VAL 421.A N THR 417.A O no hydrogen 2.943 N/A GLU 422.A N PRO 418.A O no hydrogen 2.963 N/A ILE 423.A N THR 419.A O no hydrogen 3.041 N/A GLY 424.A N LEU 420.A O no hydrogen 3.102 N/A ARG 425.A N VAL 421.A O no hydrogen 2.908 N/A ARG 425.A NH2 GLN 519.A OE1 no hydrogen 3.011 N/A ARG 425.A NH2 GLN 523.A OE1 no hydrogen 2.770 N/A THR 426.A N GLU 422.A O no hydrogen 2.917 N/A THR 426.A OG1 GLU 422.A O no hydrogen 2.749 N/A LEU 427.A N ILE 423.A O no hydrogen 2.844 N/A GLY 428.A N GLY 424.A O no hydrogen 3.118 N/A LYS 429.A N ARG 425.A O no hydrogen 3.302 N/A VAL 430.A N THR 426.A O no hydrogen 3.158 N/A GLY 431.A N LEU 427.A O no hydrogen 3.281 N/A SER 432.A N GLY 428.A O no hydrogen 3.312 N/A SER 432.A OG GLU 397.A OE1 no hydrogen 2.601 N/A SER 432.A OG GLY 428.A O no hydrogen 3.559 N/A ARG 433.A N LYS 429.A O no hydrogen 2.904 N/A CYS 434.A N VAL 430.A O no hydrogen 2.828 N/A CYS 434.A SG VAL 430.A O no hydrogen 3.295 N/A CYS 435.A N GLY 431.A O no hydrogen 3.094 N/A CYS 435.A SG GLY 431.A O no hydrogen 3.348 N/A LYS 436.A NZ SER 432.A O no hydrogen 3.347 N/A LEU 437.A N CYS 434.A O no hydrogen 3.197 N/A GLU 441.A N PRO 438.A O no hydrogen 2.803 N/A ARG 442.A N GLU 439.A O no hydrogen 3.371 N/A ARG 442.A NH1 CYS 435.A O no hydrogen 3.388 N/A CYS 445.A N GLU 441.A O no hydrogen 3.254 N/A SER 446.A N ARG 442.A O no hydrogen 2.994 N/A SER 446.A OG ARG 442.A O no hydrogen 3.024 N/A GLU 447.A N LEU 443.A O no hydrogen 2.968 N/A ASN 448.A N PRO 444.A O no hydrogen 2.907 N/A HIS 449.A N CYS 445.A O no hydrogen 3.080 N/A LEU 450.A N SER 446.A O no hydrogen 2.979 N/A ALA 451.A N GLU 447.A O no hydrogen 3.077 N/A LEU 452.A N HIS 449.A O no hydrogen 3.168 N/A ALA 453.A N HIS 449.A O no hydrogen 3.236 N/A LEU 454.A N LEU 450.A O no hydrogen 2.990 N/A ASN 455.A N ALA 451.A O no hydrogen 3.101 N/A ASN 455.A ND2 SER 198.A OG no hydrogen 3.149 N/A ARG 456.A N LEU 452.A O no hydrogen 3.094 N/A ARG 456.A NE GLU 422.A OE1 no hydrogen 2.948 N/A ARG 456.A NH1 ASP 106.A O no hydrogen 3.006 N/A ARG 456.A NH2 GLU 422.A OE2 no hydrogen 3.541 N/A LEU 457.A N ALA 453.A O no hydrogen 3.143 N/A CYS 458.A N LEU 454.A O no hydrogen 2.952 N/A CYS 458.A SG LEU 454.A O no hydrogen 3.295 N/A VAL 459.A N ASN 455.A O no hydrogen 2.897 N/A LEU 460.A N ARG 456.A O no hydrogen 3.127 N/A HIS 461.A N LEU 457.A O no hydrogen 2.964 N/A HIS 461.A NE2 THR 471.A OG1 no hydrogen 2.847 N/A GLU 462.A N CYS 458.A O no hydrogen 2.936 N/A LYS 463.A N VAL 459.A O no hydrogen 3.437 N/A LYS 463.A NZ ASP 105.A OD1 no hydrogen 3.174 N/A THR 464.A N LEU 460.A O no hydrogen 3.191 N/A LYS 469.A NZ LYS 411.A O no hydrogen 2.839 N/A LYS 469.A NZ ASP 491.A OD1 no hydrogen 2.720 N/A ILE 470.A N SER 467.A OG no hydrogen 3.313 N/A THR 471.A N SER 467.A O no hydrogen 3.085 N/A THR 471.A OG1 HIS 461.A NE2 no hydrogen 2.847 N/A THR 471.A OG1 SER 467.A O no hydrogen 3.121 N/A LYS 472.A N GLU 468.A O no hydrogen 2.864 N/A CYS 473.A N LYS 469.A O no hydrogen 3.164 N/A CYS 473.A SG LYS 469.A O no hydrogen 3.556 N/A CYS 474.A N ILE 470.A O no hydrogen 2.915 N/A CYS 474.A SG ILE 470.A O no hydrogen 3.324 N/A THR 475.A N THR 471.A O no hydrogen 2.889 N/A THR 475.A OG1 THR 471.A O no hydrogen 2.724 N/A ASP 476.A N LYS 472.A O no hydrogen 2.993 N/A ARG 481.A N LEU 478.A O no hydrogen 3.276 N/A ARG 481.A NH1 ASN 455.A OD1 no hydrogen 2.913 N/A ARG 481.A NH2 CYS 474.A O no hydrogen 2.689 N/A ARG 482.A NH1 GLU 380.A OE1 no hydrogen 3.423 N/A ARG 482.A NH1 SER 486.A OG no hydrogen 3.089 N/A ARG 482.A NH2 GLU 380.A OE2 no hydrogen 3.057 N/A CYS 484.A N GLU 480.A O no hydrogen 3.005 N/A PHE 485.A N ARG 481.A O no hydrogen 3.052 N/A SER 486.A N ARG 482.A O no hydrogen 3.042 N/A ALA 487.A N PRO 483.A O no hydrogen 3.037 N/A LEU 488.A N PHE 485.A O no hydrogen 3.267 N/A TYR 494.A N ASP 491.A O no hydrogen 3.371 N/A TYR 494.A OH LYS 531.A O no hydrogen 2.718 N/A LYS 497.A N LYS 531.A O no hydrogen 3.143 N/A LYS 497.A NZ GLU 528.A OE1 no hydrogen 2.897 N/A LYS 500.A NZ GLU 498.A O no hydrogen 3.230 N/A GLU 502.A N GLU 502.A OE1 no hydrogen 2.719 N/A THR 503.A N LYS 500.A O no hydrogen 3.273 N/A THR 503.A OG1 LYS 500.A O no hydrogen 3.435 N/A PHE 504.A N ALA 501.A O no hydrogen 2.834 N/A THR 505.A N GLU 502.A O no hydrogen 3.251 N/A THR 505.A OG1 ALA 501.A O no hydrogen 2.861 N/A ALA 508.A N GLU 562.A OE1 no hydrogen 3.187 N/A ILE 510.A N HIS 507.A O no hydrogen 3.121 N/A CYS 511.A N ALA 508.A O no hydrogen 3.137 N/A CYS 511.A SG ALA 508.A O no hydrogen 3.401 N/A THR 512.A OG1 ASP 509.A O no hydrogen 3.175 N/A LEU 513.A N ILE 510.A O no hydrogen 3.249 N/A LYS 518.A N PRO 514.A O no hydrogen 2.944 N/A GLN 519.A N GLU 515.A O no hydrogen 2.921 N/A GLN 519.A NE2 GLU 515.A OE2 no hydrogen 3.398 N/A ILE 520.A N ASP 516.A O no hydrogen 3.107 N/A LYS 521.A N GLU 517.A O no hydrogen 3.039 N/A LYS 522.A N LYS 518.A O no hydrogen 3.113 N/A LYS 522.A NZ SER 549.A OG no hydrogen 3.210 N/A GLN 523.A N GLN 519.A O no hydrogen 2.655 N/A GLN 523.A NE2 GLN 401.A OE1 no hydrogen 3.296 N/A GLN 523.A NE2 ASN 402.A OD1 no hydrogen 3.042 N/A SER 524.A N ILE 520.A O no hydrogen 2.710 N/A SER 524.A OG ILE 520.A O no hydrogen 2.703 N/A ALA 525.A N LYS 521.A O no hydrogen 3.335 N/A LEU 526.A N LYS 522.A O no hydrogen 3.090 N/A ALA 527.A N GLN 523.A O no hydrogen 3.108 N/A GLU 528.A N SER 524.A O no hydrogen 3.067 N/A LEU 529.A N ALA 525.A O no hydrogen 2.920 N/A VAL 530.A N LEU 526.A O no hydrogen 3.171 N/A LYS 531.A N ALA 527.A O no hydrogen 2.946 N/A LYS 531.A NZ VAL 415.A O no hydrogen 2.917 N/A LYS 531.A NZ THR 417.A OG1 no hydrogen 2.760 N/A HIS 532.A N GLU 528.A O no hydrogen 3.048 N/A HIS 532.A ND1 LYS 497.A O no hydrogen 2.836 N/A LYS 533.A N LEU 529.A O no hydrogen 2.691 N/A ALA 536.A N LYS 533.A O no hydrogen 3.147 N/A THR 537.A N GLN 540.A OE1 no hydrogen 3.017 N/A THR 537.A OG1 GLU 539.A OE1 no hydrogen 3.367 N/A THR 537.A OG1 GLN 540.A OE1 no hydrogen 3.482 N/A GLN 540.A N THR 537.A OG1 no hydrogen 2.980 N/A GLN 540.A NE2 ALA 579.A O no hydrogen 2.837 N/A GLN 540.A NE2 ALA 581.A OXT no hydrogen 3.075 N/A LEU 541.A N THR 537.A O no hydrogen 3.047 N/A LYS 542.A N LYS 538.A O no hydrogen 2.940 N/A THR 543.A N GLU 539.A O no hydrogen 3.359 N/A THR 543.A OG1 GLU 539.A O no hydrogen 3.058 N/A VAL 544.A N GLN 540.A O no hydrogen 3.188 N/A LEU 545.A N LEU 541.A O no hydrogen 3.003 N/A GLY 546.A N LYS 542.A O no hydrogen 3.044 N/A ASN 547.A N THR 543.A O no hydrogen 3.169 N/A PHE 548.A N VAL 544.A O no hydrogen 3.046 N/A SER 549.A N LEU 545.A O no hydrogen 2.797 N/A ALA 550.A N GLY 546.A O no hydrogen 3.031 N/A PHE 551.A N ASN 547.A O no hydrogen 2.971 N/A VAL 552.A N PHE 548.A O no hydrogen 2.928 N/A ALA 553.A N SER 549.A O no hydrogen 3.091 N/A LYS 554.A N ALA 550.A O no hydrogen 3.003 N/A LYS 554.A NZ GLU 568.A OE1 no hydrogen 3.233 N/A CYS 555.A N PHE 551.A O no hydrogen 3.104 N/A CYS 555.A SG PHE 551.A O no hydrogen 3.693 N/A CYS 556.A N VAL 552.A O no hydrogen 2.981 N/A CYS 556.A SG VAL 552.A O no hydrogen 3.304 N/A GLY 557.A N ALA 553.A O no hydrogen 3.120 N/A GLY 557.A N LYS 554.A O no hydrogen 3.295 N/A ALA 558.A N LYS 554.A O no hydrogen 3.244 N/A LYS 561.A NZ CYS 556.A O no hydrogen 3.544 N/A CYS 564.A N ASP 560.A O no hydrogen 3.244 N/A PHE 565.A N LYS 561.A O no hydrogen 3.049 N/A ALA 566.A N GLU 562.A O no hydrogen 3.013 N/A GLU 567.A N ALA 563.A O no hydrogen 3.060 N/A GLU 568.A N CYS 564.A O no hydrogen 2.902 N/A GLY 569.A N PHE 565.A O no hydrogen 3.308 N/A LEU 572.A N GLU 568.A O no hydrogen 3.371 N/A VAL 573.A N GLY 569.A O no hydrogen 3.147 N/A ALA 574.A N PRO 570.A O no hydrogen 3.131 N/A SER 575.A N LYS 571.A O no hydrogen 3.155 N/A SER 575.A OG LYS 571.A O no hydrogen 3.111 N/A SER 575.A OG LEU 572.A O no hydrogen 3.240 N/A SER 576.A N LEU 572.A O no hydrogen 3.095 N/A SER 576.A OG LEU 572.A O no hydrogen 2.638 N/A GLN 577.A N VAL 573.A O no hydrogen 3.179 N/A LEU 578.A N ALA 574.A O no hydrogen 3.500 N/A ALA 579.A N SER 575.A O no hydrogen 2.924 N/A LEU 580.A N SER 576.A O no hydrogen 2.963 N/A