Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6kbh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A ND1 ASP 3.A OD1 no hydrogen 2.768 N/A THR 5.A N ILE 2.A O no hydrogen 2.881 N/A ALA 6.A N ILE 2.A O no hydrogen 3.036 N/A SER 9.A N CYS 13.A O no hydrogen 2.730 N/A SER 9.A OG THR 11.A OG1 no hydrogen 2.456 N/A THR 11.A N SER 9.A OG no hydrogen 3.073 N/A THR 11.A OG1 SER 9.A OG no hydrogen 2.456 N/A GLY 12.A N SER 9.A O no hydrogen 2.947 N/A VAL 15.A N PHE 7.A O no hydrogen 2.868 N/A ARG 18.A NH1 GLU 43.A OE2 no hydrogen 2.766 N/A ALA 20.A N SER 16.A O no hydrogen 2.797 N/A ALA 21.A N PRO 17.A O no hydrogen 2.756 N/A PHE 22.A N ALA 19.A O no hydrogen 3.278 N/A PHE 25.A N ASP 23.A OD1 no hydrogen 3.018 N/A TYR 29.A OH THR 410.A O no hydrogen 2.845 N/A GLN 30.A N GLY 27.A O no hydrogen 3.037 N/A GLN 30.A NE2 PRO 24.A O no hydrogen 2.487 N/A GLN 30.A NE2 ASN 409.A O no hydrogen 3.096 N/A VAL 31.A N GLY 27.A O no hydrogen 3.245 N/A ASP 32.A N PRO 28.A O no hydrogen 3.199 N/A ALA 35.A N ASP 32.A OD1 no hydrogen 2.660 N/A SER 36.A N ASP 32.A O no hydrogen 2.999 N/A SER 36.A OG PRO 33.A O no hydrogen 2.767 N/A LEU 37.A N ALA 34.A O no hydrogen 3.259 N/A ARG 38.A N ALA 35.A O no hydrogen 3.136 N/A SER 40.A N LEU 37.A O no hydrogen 2.901 N/A SER 40.A OG GLU 44.A O no hydrogen 2.308 N/A SER 40.A OG THR 58.A OG1 no hydrogen 3.051 N/A ARG 41.A N LEU 37.A O no hydrogen 3.086 N/A ARG 41.A NH1 ALA 34.A O no hydrogen 3.093 N/A ARG 41.A NH1 SER 338.A OG no hydrogen 2.657 N/A ARG 41.A NH2 ALA 34.A O no hydrogen 3.174 N/A ASP 42.A N ARG 38.A O no hydrogen 3.141 N/A GLU 43.A N TRP 39.A O no hydrogen 3.023 N/A GLU 44.A N SER 40.A O no hydrogen 3.219 N/A PHE 47.A N VAL 56.A O no hydrogen 3.118 N/A SER 49.A N TYR 54.A O no hydrogen 3.150 N/A TRP 55.A N LYS 331.A O no hydrogen 2.963 N/A VAL 56.A N PHE 47.A O no hydrogen 2.692 N/A VAL 57.A N LEU 333.A O no hydrogen 2.912 N/A THR 58.A N PRO 45.A O no hydrogen 3.102 N/A THR 58.A OG1 SER 40.A OG no hydrogen 3.051 N/A ARG 59.A NH1 ARG 41.A O no hydrogen 2.594 N/A TYR 60.A N ASP 342.A OD2 no hydrogen 2.837 N/A TYR 60.A OH ASP 361.A O no hydrogen 2.867 N/A VAL 63.A N ARG 59.A O no hydrogen 3.036 N/A LYS 64.A N TYR 60.A O no hydrogen 3.022 N/A ALA 65.A N GLU 61.A O no hydrogen 2.880 N/A VAL 66.A N ASP 62.A O no hydrogen 2.914 N/A PHE 67.A N VAL 63.A O no hydrogen 3.197 N/A ARG 68.A N LYS 64.A O no hydrogen 3.157 N/A ARG 68.A NH1 ASP 686.A O no hydrogen 2.621 N/A GLY 69.A N ALA 65.A O no hydrogen 3.297 N/A ASN 70.A N ARG 68.A O no hydrogen 2.875 N/A LEU 72.A N GLY 69.A O no hydrogen 3.193 N/A PHE 73.A N GLY 69.A O no hydrogen 2.921 N/A SER 74.A N LEU 314.A O no hydrogen 2.777 N/A SER 74.A OG SER 76.A OG no hydrogen 2.437 N/A SER 74.A OG ASP 108.A OD1 no hydrogen 2.874 N/A SER 74.A OG ASP 108.A OD2 no hydrogen 2.967 N/A SER 76.A N SER 74.A OG no hydrogen 3.007 N/A SER 76.A OG SER 74.A OG no hydrogen 2.437 N/A SER 76.A OG ASP 108.A OD1 no hydrogen 3.152 N/A ALA 78.A N PRO 75.A O no hydrogen 2.963 N/A GLU 80.A N ILE 77.A O no hydrogen 3.062 N/A ILE 82.A N THR 192.A O no hydrogen 2.975 N/A SER 86.A N GLN 201.A OE1 no hydrogen 2.733 N/A SER 86.A OG GLN 201.A OE1 no hydrogen 3.173 N/A ALA 89.A N SER 86.A OG no hydrogen 3.289 N/A ASN 90.A N SER 86.A O no hydrogen 2.979 N/A ALA 91.A N ASP 87.A O no hydrogen 2.966 N/A VAL 92.A N GLU 88.A O no hydrogen 3.062 N/A LEU 93.A N ALA 89.A O no hydrogen 3.044 N/A ALA 94.A N ASN 90.A O no hydrogen 2.785 N/A ARG 95.A N ALA 91.A O no hydrogen 2.972 N/A ARG 95.A N VAL 92.A O no hydrogen 3.292 N/A GLY 97.A N ALA 94.A O no hydrogen 2.788 N/A TYR 98.A N LEU 93.A O no hydrogen 3.284 N/A ASN 101.A N SER 253.A OG no hydrogen 2.812 N/A THR 103.A OG1 ASN 101.A O no hydrogen 2.715 N/A LEU 104.A N GLU 107.A OE2 no hydrogen 2.981 N/A VAL 105.A N THR 103.A O no hydrogen 2.752 N/A HIS 112.A N ASP 108.A O no hydrogen 3.112 N/A HIS 112.A ND1 GLU 109.A OE2 no hydrogen 2.532 N/A MET 113.A N GLU 109.A OE1 no hydrogen 3.104 N/A ARG 115.A NE GLU 107.A OE1 no hydrogen 3.331 N/A ARG 116.A N HIS 112.A O no hydrogen 2.859 N/A ARG 116.A NH1 GLN 371.A O no hydrogen 2.832 N/A ARG 116.A NH2 GLN 371.A O no hydrogen 2.862 N/A ARG 117.A N MET 113.A O no hydrogen 2.785 N/A ARG 117.A NH2 THR 690.A O no hydrogen 3.036 N/A ALA 118.A N PRO 114.A O no hydrogen 2.862 N/A LEU 119.A N ARG 115.A O no hydrogen 2.995 N/A PHE 123.A N MET 120.A O no hydrogen 2.784 N/A THR 124.A N GLU 121.A O no hydrogen 3.051 N/A THR 124.A OG1 GLU 121.A O no hydrogen 2.837 N/A ALA 127.A N THR 124.A OG1 no hydrogen 3.272 N/A LEU 128.A N THR 124.A O no hydrogen 2.919 N/A ALA 129.A N ALA 126.A O no hydrogen 3.415 N/A HIS 131.A N LEU 128.A O no hydrogen 2.986 N/A VAL 135.A N HIS 131.A O no hydrogen 3.301 N/A ARG 136.A N GLU 132.A O no hydrogen 3.359 N/A ARG 136.A NH1 GLU 387.A OE2 no hydrogen 2.800 N/A ARG 136.A NH2 GLU 132.A OE2 no hydrogen 3.564 N/A ARG 136.A NH2 GLU 387.A OE2 no hydrogen 2.718 N/A ARG 137.A N PRO 133.A O no hydrogen 2.992 N/A LEU 138.A N MET 134.A O no hydrogen 3.006 N/A THR 139.A N VAL 135.A O no hydrogen 2.752 N/A THR 139.A OG1 VAL 135.A O no hydrogen 2.694 N/A ARG 140.A N ARG 136.A O no hydrogen 3.301 N/A ARG 140.A N ARG 137.A O no hydrogen 3.273 N/A ARG 140.A NE GLU 388.A OE2 no hydrogen 2.984 N/A GLU 141.A N ARG 137.A O no hydrogen 2.928 N/A ASP 144.A N ARG 140.A O no hydrogen 3.121 N/A ARG 145.A N TYR 142.A O no hydrogen 3.131 N/A ARG 145.A NE GLU 141.A O no hydrogen 3.104 N/A THR 149.A N PHE 146.A O no hydrogen 3.511 N/A THR 149.A OG1 PHE 146.A O no hydrogen 3.100 N/A THR 149.A OG1 HIS 151.A O no hydrogen 2.606 N/A HIS 151.A N THR 149.A OG1 no hydrogen 3.100 N/A VAL 152.A N VAL 420.A O no hydrogen 3.187 N/A LEU 154.A N VAL 418.A O no hydrogen 3.020 N/A ASP 156.A N ASP 153.A OD2 no hydrogen 2.770 N/A GLU 157.A N ASP 153.A O no hydrogen 3.254 N/A MET 158.A N LEU 154.A O no hydrogen 2.693 N/A LEU 159.A N LEU 154.A O no hydrogen 2.782 N/A TRP 160.A N VAL 155.A O no hydrogen 2.598 N/A VAL 162.A N MET 158.A O no hydrogen 3.265 N/A LEU 164.A N GLU 161.A O no hydrogen 2.887 N/A THR 165.A N GLU 161.A O no hydrogen 3.339 N/A THR 165.A OG1 VAL 162.A O no hydrogen 2.720 N/A VAL 166.A N VAL 162.A O no hydrogen 3.170 N/A ALA 167.A N PRO 163.A O no hydrogen 3.202 N/A LEU 168.A N LEU 164.A O no hydrogen 3.118 N/A HIS 169.A N THR 165.A O no hydrogen 2.869 N/A PHE 170.A N VAL 166.A O no hydrogen 2.572 N/A LEU 171.A N ALA 167.A O no hydrogen 2.894 N/A LEU 171.A N LEU 168.A O no hydrogen 3.202 N/A GLY 172.A N LEU 168.A O no hydrogen 3.180 N/A GLY 172.A N HIS 169.A O no hydrogen 3.292 N/A VAL 173.A N LEU 168.A O no hydrogen 3.408 N/A ASP 177.A N PRO 174.A O no hydrogen 2.913 N/A MET 178.A N GLU 175.A O no hydrogen 3.270 N/A ARG 182.A N MET 178.A O no hydrogen 3.063 N/A ARG 182.A NH2 GLU 161.A OE1 no hydrogen 2.729 N/A GLU 183.A N ASP 179.A O no hydrogen 3.252 N/A TYR 184.A N THR 180.A O no hydrogen 2.919 N/A SER 185.A N ARG 182.A O no hydrogen 2.796 N/A SER 185.A OG LEU 181.A O no hydrogen 2.630 N/A HIS 188.A N GLU 264.A OE2 no hydrogen 2.487 N/A THR 192.A N HIS 188.A O no hydrogen 2.803 N/A THR 192.A OG1 HIS 188.A O no hydrogen 3.413 N/A TRP 193.A N THR 189.A O no hydrogen 2.738 N/A ARG 195.A NH1 GLU 51.A OE2 no hydrogen 2.941 N/A ARG 195.A NH2 GLU 51.A OE2 no hydrogen 2.847 N/A ALA 197.A N GLN 200.A OE1 no hydrogen 2.591 N/A GLU 199.A N GLU 199.A OE1 no hydrogen 2.278 N/A GLN 201.A N ALA 197.A O no hydrogen 3.077 N/A GLN 201.A NE2 PRO 84.A O no hydrogen 2.528 N/A VAL 202.A N PRO 198.A O no hydrogen 3.262 N/A ALA 203.A N GLU 199.A O no hydrogen 3.102 N/A VAL 204.A N GLN 200.A O no hydrogen 3.073 N/A ALA 205.A N GLN 201.A O no hydrogen 3.032 N/A ASP 206.A N VAL 202.A O no hydrogen 2.719 N/A ALA 207.A N ALA 203.A O no hydrogen 3.172 N/A VAL 208.A N VAL 204.A O no hydrogen 2.699 N/A GLY 209.A N ALA 205.A O no hydrogen 2.989 N/A LYS 210.A N ASP 206.A O no hydrogen 3.019 N/A LYS 210.A NZ TYR 96.A OH no hydrogen 3.390 N/A PHE 211.A N ALA 207.A O no hydrogen 3.115 N/A TRP 212.A N VAL 208.A O no hydrogen 2.895 N/A TRP 212.A N GLY 209.A O no hydrogen 3.159 N/A GLN 213.A N GLY 209.A O no hydrogen 3.417 N/A PHE 214.A N LYS 210.A O no hydrogen 3.276 N/A ALA 215.A N PHE 211.A O no hydrogen 2.964 N/A GLY 216.A N GLN 213.A O no hydrogen 3.034 N/A THR 217.A N GLN 213.A O no hydrogen 3.313 N/A THR 217.A OG1 PHE 214.A O no hydrogen 2.881 N/A VAL 218.A N PHE 214.A O no hydrogen 3.098 N/A LEU 219.A N ALA 215.A O no hydrogen 3.049 N/A ASP 220.A N GLY 216.A O no hydrogen 3.182 N/A LYS 221.A N THR 217.A O no hydrogen 2.769 N/A LYS 221.A NZ GLU 176.A OE1 no hydrogen 3.284 N/A LYS 221.A NZ ASP 177.A OD1 no hydrogen 3.516 N/A LYS 221.A NZ ASP 177.A OD2 no hydrogen 2.882 N/A MET 222.A N VAL 218.A O no hydrogen 3.036 N/A ARG 223.A N ASP 220.A O no hydrogen 3.280 N/A ARG 223.A NH1 ASP 248.A OD1 no hydrogen 2.682 N/A ARG 223.A NH2 ASP 248.A OD1 no hydrogen 2.967 N/A ASP 225.A N MET 222.A O no hydrogen 3.389 N/A GLY 228.A N PRO 226.A O no hydrogen 2.946 N/A TRP 231.A N PHE 170.A O no hydrogen 2.739 N/A TRP 231.A NE1 LEU 119.A O no hydrogen 3.074 N/A MET 232.A N LEU 171.A O no hydrogen 2.763 N/A PHE 234.A N GLY 230.A O no hydrogen 3.230 N/A GLY 235.A N TRP 231.A O no hydrogen 2.731 N/A ILE 236.A N MET 232.A O no hydrogen 2.953 N/A ILE 236.A N PRO 233.A O no hydrogen 3.039 N/A ARG 237.A N PRO 233.A O no hydrogen 3.340 N/A ARG 237.A NE PRO 226.A O no hydrogen 2.664 N/A ARG 237.A NE ASP 227.A OD1 no hydrogen 3.217 N/A ARG 237.A NH2 PRO 226.A O no hydrogen 2.616 N/A VAL 238.A N PHE 234.A O no hydrogen 3.474 N/A GLN 239.A N GLY 235.A O no hydrogen 3.310 N/A GLN 239.A NE2 ASP 248.A OD1 no hydrogen 2.276 N/A GLN 240.A N ILE 236.A O no hydrogen 3.311 N/A GLU 241.A N ARG 237.A O no hydrogen 3.016 N/A GLN 242.A N VAL 238.A O no hydrogen 2.560 N/A VAL 246.A N GLN 242.A O no hydrogen 3.264 N/A THR 247.A OG1 SER 249.A OG no hydrogen 2.806 N/A SER 249.A OG ASN 101.A OD1 no hydrogen 3.352 N/A SER 249.A OG THR 247.A OG1 no hydrogen 2.806 N/A TYR 250.A N THR 247.A O no hydrogen 2.863 N/A TYR 250.A N THR 247.A OG1 no hydrogen 3.165 N/A TYR 250.A OH GLU 107.A OE2 no hydrogen 2.322 N/A LEU 251.A N THR 247.A O no hydrogen 3.228 N/A HIS 252.A N ASP 248.A O no hydrogen 3.305 N/A HIS 252.A NE2 TRP 212.A O no hydrogen 2.690 N/A SER 253.A N SER 249.A O no hydrogen 2.914 N/A SER 253.A OG ASN 101.A OD1 no hydrogen 2.681 N/A SER 253.A OG SER 249.A O no hydrogen 3.185 N/A MET 254.A N TYR 250.A O no hydrogen 2.558 N/A ALA 257.A N SER 253.A O no hydrogen 2.907 N/A GLY 258.A N MET 254.A O no hydrogen 3.123 N/A ILE 259.A N MET 256.A O no hydrogen 3.244 N/A VAL 260.A N MET 256.A O no hydrogen 3.135 N/A ALA 261.A N ALA 257.A O no hydrogen 3.259 N/A HIS 263.A N ILE 259.A O no hydrogen 3.275 N/A HIS 263.A NE2 TRP 160.A O no hydrogen 2.524 N/A THR 265.A OG1 ALA 261.A O no hydrogen 3.021 N/A THR 266.A OG1 ALA 262.A O no hydrogen 2.967 N/A ALA 267.A N HIS 263.A O no hydrogen 3.013 N/A ASN 268.A N GLU 264.A O no hydrogen 2.780 N/A ALA 269.A N THR 265.A O no hydrogen 3.086 N/A SER 270.A N THR 266.A O no hydrogen 2.859 N/A SER 270.A OG THR 266.A O no hydrogen 2.865 N/A ALA 271.A N ALA 267.A O no hydrogen 2.896 N/A ASN 272.A N ASN 268.A O no hydrogen 2.789 N/A ASN 272.A ND2 SER 305.A O no hydrogen 3.692 N/A ASN 272.A ND2 ARG 413.A O no hydrogen 2.957 N/A ALA 273.A N ALA 269.A O no hydrogen 2.943 N/A LEU 274.A N SER 270.A O no hydrogen 3.001 N/A ARG 275.A N ALA 271.A O no hydrogen 2.940 N/A LEU 276.A N ASN 272.A O no hydrogen 2.639 N/A LEU 277.A N ALA 273.A O no hydrogen 2.754 N/A LEU 278.A N LEU 274.A O no hydrogen 2.955 N/A GLU 279.A N ARG 275.A O no hydrogen 3.167 N/A HIS 280.A ND1 LEU 276.A O no hydrogen 3.171 N/A ARG 281.A NE GLU 285.A OE2 no hydrogen 3.345 N/A ARG 281.A NH1 MET 396.A O no hydrogen 2.316 N/A TRP 284.A N HIS 280.A O no hydrogen 3.261 N/A TRP 284.A NE1 PRO 394.A O no hydrogen 2.806 N/A GLU 285.A N ARG 281.A O no hydrogen 2.829 N/A GLU 286.A N ASP 282.A O no hydrogen 2.970 N/A ILE 287.A N VAL 283.A O no hydrogen 3.233 N/A CYS 288.A N TRP 284.A O no hydrogen 3.117 N/A CYS 288.A SG TRP 284.A O no hydrogen 3.264 N/A CYS 288.A SG THR 390.A O no hydrogen 3.926 N/A ALA 289.A N GLU 285.A O no hydrogen 2.948 N/A ALA 289.A N GLU 286.A O no hydrogen 3.024 N/A ASP 290.A N GLU 286.A O no hydrogen 3.410 N/A ILE 294.A N PRO 291.A O no hydrogen 3.225 N/A ASN 296.A ND2 ARG 356.A O no hydrogen 2.931 N/A ALA 297.A N LEU 293.A O no hydrogen 2.891 N/A VAL 298.A N ILE 294.A O no hydrogen 2.909 N/A GLU 300.A N ASN 296.A O no hydrogen 2.922 N/A CYS 301.A N ALA 297.A O no hydrogen 2.987 N/A CYS 301.A SG ALA 297.A O no hydrogen 3.534 N/A LEU 302.A N VAL 298.A O no hydrogen 3.113 N/A ARG 303.A N GLU 299.A O no hydrogen 2.970 N/A ARG 303.A NE GLU 300.A OE1 no hydrogen 3.024 N/A ARG 303.A NH1 ASN 340.A O no hydrogen 2.987 N/A ARG 303.A NH1 LEU 349.A O no hydrogen 2.928 N/A ARG 303.A NH2 GLU 300.A OE2 no hydrogen 2.596 N/A ARG 303.A NH2 LEU 349.A O no hydrogen 2.912 N/A HIS 304.A N GLU 300.A O no hydrogen 2.696 N/A HIS 304.A NE2 ASP 350.A O no hydrogen 3.164 N/A SER 305.A N CYS 301.A O no hydrogen 2.521 N/A SER 305.A OG HIS 304.A ND1 no hydrogen 3.335 N/A SER 307.A OG THR 265.A O no hydrogen 2.381 N/A ALA 309.A N SER 411.A O no hydrogen 2.597 N/A TRP 311.A N ILE 334.A O no hydrogen 2.890 N/A ARG 312.A NH1 TYR 54.A OH no hydrogen 3.162 N/A ARG 312.A NH1 GLU 80.A O no hydrogen 2.556 N/A ARG 312.A NH2 ALA 78.A O no hydrogen 2.862 N/A ARG 312.A NH2 GLU 80.A O no hydrogen 2.718 N/A ARG 313.A N LEU 332.A O no hydrogen 3.248 N/A ARG 313.A NH1 ARG 312.A O no hydrogen 2.985 N/A LEU 314.A N SER 74.A O no hydrogen 2.722 N/A VAL 315.A N ALA 330.A O no hydrogen 2.780 N/A THR 316.A N LEU 72.A O no hydrogen 2.801 N/A THR 316.A OG1 GLU 71.A O no hydrogen 2.907 N/A THR 316.A OG1 LEU 72.A O no hydrogen 3.078 N/A THR 319.A N VAL 326.A O no hydrogen 2.938 N/A THR 319.A OG1 ALA 317.A O no hydrogen 2.849 N/A ILE 321.A N VAL 324.A O no hydrogen 2.837 N/A ASN 322.A ND2 ASP 62.A OD2 no hydrogen 2.997 N/A VAL 324.A N ILE 321.A O no hydrogen 3.170 N/A VAL 326.A N THR 319.A O no hydrogen 2.782 N/A ALA 328.A N ASP 318.A OD1 no hydrogen 2.721 N/A GLY 329.A N VAL 315.A O no hydrogen 2.907 N/A ALA 330.A N PRO 327.A O no hydrogen 3.162 N/A LYS 331.A NZ GLU 80.A OE1 no hydrogen 2.761 N/A LYS 331.A NZ GLU 80.A OE2 no hydrogen 3.146 N/A LEU 332.A N ARG 313.A O no hydrogen 2.653 N/A LEU 333.A N TRP 55.A O no hydrogen 2.761 N/A ILE 334.A N TRP 311.A O no hydrogen 2.829 N/A VAL 335.A N VAL 57.A O no hydrogen 2.972 N/A ASN 336.A ND2 LEU 363.A O no hydrogen 2.816 N/A SER 337.A N ALA 309.A O no hydrogen 3.052 N/A SER 338.A OG THR 58.A O no hydrogen 2.666 N/A ALA 339.A N VAL 335.A O no hydrogen 2.918 N/A ASN 340.A N ASN 336.A O no hydrogen 2.894 N/A ASN 340.A ND2 ARG 303.A O no hydrogen 3.242 N/A ASN 340.A ND2 THR 364.A OG1 no hydrogen 3.012 N/A HIS 341.A N SER 338.A O no hydrogen 2.814 N/A HIS 341.A ND1 ASP 350.A OD1 no hydrogen 2.543 N/A HIS 341.A NE2 HIS 304.A O no hydrogen 3.108 N/A ASP 342.A N ALA 339.A O no hydrogen 3.024 N/A ARG 344.A N ASP 342.A OD1 no hydrogen 3.129 N/A HIS 345.A N ASP 342.A O no hydrogen 3.258 N/A PHE 346.A N ASP 342.A O no hydrogen 3.329 N/A SER 348.A N GLU 343.A OE2 no hydrogen 3.335 N/A ASP 353.A N GLU 300.A OE2 no hydrogen 3.019 N/A ARG 355.A NH1 GLU 286.A OE2 no hydrogen 3.095 N/A ARG 356.A N ASP 353.A O no hydrogen 3.031 N/A ARG 356.A NE GLU 300.A OE2 no hydrogen 2.928 N/A ARG 356.A NH1 ILE 347.A O no hydrogen 3.044 N/A ARG 356.A NH2 ILE 347.A O no hydrogen 3.514 N/A ARG 356.A NH2 SER 348.A O no hydrogen 2.769 N/A ARG 356.A NH2 ASP 351.A O no hydrogen 3.528 N/A ASN 358.A ND2 HIS 345.A O no hydrogen 3.166 N/A SER 360.A N SER 448.A OG no hydrogen 2.971 N/A SER 360.A OG ASP 709.A OD2 no hydrogen 3.516 N/A ASP 361.A N ASN 358.A O no hydrogen 3.106 N/A HIS 362.A N ALA 359.A O no hydrogen 2.990 N/A HIS 362.A NE2 GLU 299.A OE1 no hydrogen 2.893 N/A LEU 363.A N ASN 340.A OD1 no hydrogen 2.846 N/A THR 364.A N HIS 362.A ND1 no hydrogen 3.306 N/A THR 364.A OG1 LEU 302.A O no hydrogen 2.382 N/A GLY 366.A N LEU 363.A O no hydrogen 2.944 N/A HIS 370.A ND1 LEU 104.A O no hydrogen 2.837 N/A GLN 371.A N GLY 368.A O no hydrogen 3.156 N/A GLN 371.A NE2 GLY 366.A O no hydrogen 3.626 N/A CYS 372.A N PHE 365.A O no hydrogen 2.959 N/A LYS 375.A NZ GLN 371.A OE1 no hydrogen 3.069 N/A LYS 375.A NZ ASN 707.A O no hydrogen 3.264 N/A LYS 375.A NZ ASP 709.A OD1 no hydrogen 3.167 N/A ALA 378.A N GLY 374.A O no hydrogen 2.795 N/A ARG 379.A N LYS 375.A O no hydrogen 2.648 N/A ARG 379.A NE GLU 299.A OE2 no hydrogen 2.502 N/A ARG 379.A NH1 ASP 709.A OD1 no hydrogen 3.061 N/A ARG 379.A NH1 ASP 709.A OD2 no hydrogen 3.259 N/A ARG 379.A NH2 GLU 299.A OE1 no hydrogen 3.128 N/A ARG 379.A NH2 ASP 709.A OD2 no hydrogen 3.119 N/A MET 380.A N ASN 376.A O no hydrogen 2.819 N/A GLU 381.A N LEU 377.A O no hydrogen 2.987 N/A ILE 382.A N ALA 378.A O no hydrogen 2.933 N/A GLN 383.A N ARG 379.A O no hydrogen 3.070 N/A GLN 383.A NE2 LYS 443.A O no hydrogen 2.899 N/A ILE 384.A N MET 380.A O no hydrogen 3.081 N/A PHE 385.A N GLU 381.A O no hydrogen 3.051 N/A LEU 386.A N ILE 382.A O no hydrogen 2.829 N/A GLU 387.A N ILE 384.A O no hydrogen 2.984 N/A GLU 388.A N ILE 384.A O no hydrogen 3.026 N/A LEU 389.A N PHE 385.A O no hydrogen 3.244 N/A THR 390.A OG1 LEU 386.A O no hydrogen 2.899 N/A THR 390.A OG1 GLU 387.A O no hydrogen 2.878 N/A ARG 391.A N GLU 387.A O no hydrogen 2.690 N/A ARG 391.A NH1 ARG 438.A O no hydrogen 2.722 N/A ARG 392.A N GLU 388.A O no hydrogen 2.834 N/A ARG 392.A NE GLU 429.A OE1 no hydrogen 2.572 N/A ARG 392.A NH1 GLU 388.A OE2 no hydrogen 2.509 N/A LEU 393.A N LEU 389.A O no hydrogen 3.328 N/A HIS 395.A N HIS 395.A ND1 no hydrogen 2.858 N/A HIS 395.A NE2 ASP 423.A O no hydrogen 2.416 N/A MET 396.A N LEU 393.A O no hydrogen 3.358 N/A GLU 397.A N ARG 421.A O no hydrogen 2.787 N/A VAL 399.A N TRP 419.A O no hydrogen 2.990 N/A GLN 402.A NE2 VAL 399.A O no hydrogen 3.040 N/A GLN 402.A NE2 TRP 419.A O no hydrogen 3.176 N/A THR 405.A OG1 ASP 416.A OD2 no hydrogen 2.456 N/A ASN 409.A ND2 PHE 412.A O no hydrogen 2.937 N/A THR 410.A N TRP 193.A O no hydrogen 2.976 N/A THR 410.A OG1 SER 411.A OG no hydrogen 2.924 N/A SER 411.A N ASN 409.A OD1 no hydrogen 2.704 N/A SER 411.A OG ALA 310.A O no hydrogen 3.064 N/A SER 411.A OG THR 410.A OG1 no hydrogen 2.924 N/A PHE 412.A N ASN 409.A OD1 no hydrogen 2.591 N/A ARG 413.A N SER 307.A O no hydrogen 3.213 N/A ARG 413.A NH1 GLN 30.A O no hydrogen 2.664 N/A ARG 413.A NH2 GLN 30.A O no hydrogen 2.943 N/A ASP 416.A N THR 405.A O no hydrogen 3.114 N/A HIS 417.A ND1 ASP 153.A OD2 no hydrogen 3.062 N/A VAL 418.A N ASP 153.A OD1 no hydrogen 2.818 N/A TRP 419.A N GLN 402.A OE1 no hydrogen 2.928 N/A VAL 420.A N VAL 152.A O no hydrogen 3.076 N/A ARG 421.A N GLU 397.A O no hydrogen 2.771 N/A ARG 421.A NH1 GLU 397.A OE2 no hydrogen 3.112 N/A TRP 422.A N GLY 150.A O no hydrogen 2.896 N/A TRP 422.A NE1 ILE 147.A O no hydrogen 3.070 N/A ARG 426.A N ASP 423.A O no hydrogen 3.202 N/A ARG 426.A NE ASP 423.A OD2 no hydrogen 3.519 N/A ASN 427.A N PRO 424.A O no hydrogen 3.255 N/A ASP 432.A N GLU 429.A O no hydrogen 3.186 N/A ARG 438.A NH1 GLU 434.A OE2 no hydrogen 3.267 N/A VAL 442.A N GLU 132.A OE2 no hydrogen 3.137 N/A ASN 450.A N PRO 447.A O no hydrogen 3.209 N/A ASN 450.A ND2 ALA 721.A O no hydrogen 3.086 N/A THR 451.A N SER 448.A O no hydrogen 3.323 N/A ARG 454.A N VAL 542.A O no hydrogen 3.241 N/A ARG 454.A NH2 PRO 480.A O no hydrogen 2.998 N/A THR 455.A OG1 ASP 290.A OD2 no hydrogen 3.536 N/A MET 456.A N LEU 540.A O no hydrogen 3.023 N/A ALA 457.A N ARG 474.A O no hydrogen 2.581 N/A VAL 458.A N ALA 538.A O no hydrogen 3.102 N/A SER 459.A N THR 472.A O no hydrogen 2.862 N/A SER 459.A OG THR 472.A O no hydrogen 3.279 N/A SER 459.A OG THR 472.A OG1 no hydrogen 3.208 N/A GLU 462.A N LEU 470.A O no hydrogen 2.964 N/A SER 463.A OG ALA 465.A O no hydrogen 3.473 N/A ILE 468.A N ALA 465.A O no hydrogen 3.321 N/A LEU 469.A N VAL 517.A O no hydrogen 2.865 N/A LEU 470.A N GLU 462.A O no hydrogen 2.563 N/A ILE 471.A N VAL 515.A O no hydrogen 2.706 N/A THR 472.A N GLY 460.A O no hydrogen 2.994 N/A THR 472.A OG1 SER 459.A OG no hydrogen 3.208 N/A THR 472.A OG1 GLY 460.A O no hydrogen 2.769 N/A LEU 473.A N PHE 513.A O no hydrogen 2.904 N/A ARG 474.A N ALA 457.A O no hydrogen 2.528 N/A SER 477.A N ASP 475.A OD1 no hydrogen 2.692 N/A SER 477.A OG ASP 475.A OD1 no hydrogen 2.875 N/A SER 477.A OG ASP 475.A OD2 no hydrogen 2.814 N/A ARG 479.A N SER 477.A OG no hydrogen 2.964 N/A ARG 479.A NE SER 477.A O no hydrogen 2.979 N/A LEU 481.A N ARG 510.A O no hydrogen 3.409 N/A SER 488.A N SER 485.A O no hydrogen 3.376 N/A SER 488.A OG SER 485.A O no hydrogen 2.470 N/A HIS 489.A N ARG 546.A O no hydrogen 2.955 N/A ILE 490.A N TYR 501.A O no hydrogen 3.407 N/A ASP 491.A N ARG 543.A O no hydrogen 3.461 N/A VAL 492.A N ARG 499.A O no hydrogen 2.876 N/A ASP 493.A N ARG 541.A O no hydrogen 3.025 N/A CYS 494.A SG VAL 492.A O no hydrogen 3.369 N/A VAL 497.A N CYS 494.A O no hydrogen 3.487 N/A ARG 499.A N VAL 492.A O no hydrogen 3.086 N/A ARG 499.A NH1 SER 498.A O no hydrogen 3.312 N/A TYR 501.A N ILE 490.A O no hydrogen 3.201 N/A SER 502.A OG GLU 663.A OE2 no hydrogen 3.466 N/A LEU 503.A N SER 488.A O no hydrogen 3.173 N/A CYS 504.A N GLN 514.A O no hydrogen 3.021 N/A CYS 504.A SG GLN 514.A O no hydrogen 3.570 N/A ASP 509.A N ASP 506.A O no hydrogen 3.278 N/A ARG 510.A NE LEU 481.A O no hydrogen 3.249 N/A THR 511.A N ASP 509.A OD1 no hydrogen 3.298 N/A PHE 513.A N LEU 473.A O no hydrogen 3.162 N/A VAL 515.A N ILE 471.A O no hydrogen 3.162 N/A HIS 519.A N ASP 467.A O no hydrogen 2.587 N/A ASP 520.A N SER 527.A OG no hydrogen 3.132 N/A SER 523.A OG SER 527.A OG no hydrogen 2.666 N/A ARG 524.A NH1 GLU 716.A OE1 no hydrogen 3.460 N/A GLY 525.A N SER 523.A OG no hydrogen 3.301 N/A SER 527.A OG SER 523.A OG no hydrogen 2.666 N/A ARG 528.A N SER 523.A OG no hydrogen 3.230 N/A TRP 529.A N GLY 525.A O no hydrogen 3.138 N/A ILE 530.A N GLY 526.A O no hydrogen 3.445 N/A HIS 531.A N SER 527.A O no hydrogen 3.374 N/A THR 532.A N ARG 528.A O no hydrogen 2.713 N/A GLU 533.A N TRP 529.A O no hydrogen 2.944 N/A GLY 537.A N VAL 458.A O no hydrogen 3.075 N/A ALA 538.A N ALA 535.A O no hydrogen 3.422 N/A LEU 540.A N MET 456.A O no hydrogen 2.938 N/A VAL 542.A N ARG 454.A O no hydrogen 2.977 N/A ARG 543.A N ASP 491.A O no hydrogen 2.834 N/A ARG 543.A NH1 ASP 493.A OD1 no hydrogen 3.110 N/A ARG 543.A NH2 ASP 713.A OD2 no hydrogen 2.359 N/A ARG 546.A NH1 ASP 491.A OD2 no hydrogen 3.363 N/A ARG 546.A NH2 ASP 491.A OD2 no hydrogen 2.952 N/A ARG 546.A NH2 CYS 719.A O no hydrogen 2.599 N/A ASN 547.A ND2 ALA 486.A O no hydrogen 2.765 N/A HIS 548.A NE2 CYS 719.A O no hydrogen 3.313 N/A PHE 549.A N ASN 547.A OD1 no hydrogen 2.669 N/A ASP 552.A N TYR 637.A OH no hydrogen 2.722 N/A ASP 554.A N ASP 552.A OD1 no hydrogen 3.359 N/A ARG 557.A NE THR 634.A OG1 no hydrogen 3.193 N/A ARG 557.A NH2 THR 634.A OG1 no hydrogen 2.971 N/A TYR 558.A N ASP 583.A O no hydrogen 3.399 N/A VAL 559.A N GLN 635.A O no hydrogen 3.060 N/A PHE 560.A N GLU 585.A O no hydrogen 2.535 N/A ALA 562.A N HIS 587.A O no hydrogen 2.703 N/A GLY 563.A N CYS 639.A O no hydrogen 3.276 N/A GLY 564.A N ALA 589.A O no hydrogen 2.919 N/A GLY 566.A N GLY 563.A O no hydrogen 3.189 N/A THR 568.A N ILE 565.A O no hydrogen 3.083 N/A THR 568.A OG1 ILE 565.A O no hydrogen 2.847 N/A ILE 571.A N ILE 567.A O no hydrogen 3.043 N/A MET 573.A N PRO 569.A O no hydrogen 3.253 N/A ALA 574.A N VAL 570.A O no hydrogen 2.640 N/A ASP 575.A N ILE 571.A O no hydrogen 3.064 N/A GLN 576.A N ALA 572.A O no hydrogen 3.103 N/A VAL 577.A N MET 573.A O no hydrogen 3.294 N/A LYS 578.A N ALA 574.A O no hydrogen 3.123 N/A LYS 578.A NZ ASP 605.A OD1 no hydrogen 2.490 N/A ALA 579.A N ASP 575.A O no hydrogen 3.097 N/A ALA 580.A N GLN 576.A O no hydrogen 2.904 N/A GLY 581.A N VAL 577.A O no hydrogen 2.955 N/A TYR 584.A OH HIS 606.A ND1 no hydrogen 2.243 N/A GLU 585.A N TYR 558.A O no hydrogen 2.770 N/A HIS 587.A N PHE 560.A O no hydrogen 2.573 N/A HIS 587.A ND1 TYR 613.A OH no hydrogen 2.684 N/A TYR 588.A N ARG 611.A O no hydrogen 3.178 N/A TYR 588.A OH GLY 564.A O no hydrogen 3.087 N/A TYR 588.A OH ALA 597.A O no hydrogen 3.136 N/A ALA 589.A N ALA 562.A O no hydrogen 2.684 N/A SER 592.A OG THR 594.A OG1 no hydrogen 2.915 N/A SER 592.A OG ASP 616.A OD2 no hydrogen 3.469 N/A THR 594.A N SER 592.A OG no hydrogen 3.189 N/A THR 594.A OG1 ASP 466.A OD2 no hydrogen 2.610 N/A THR 594.A OG1 SER 592.A OG no hydrogen 2.915 N/A SER 595.A N SER 592.A O no hydrogen 3.233 N/A SER 595.A OG SER 592.A O no hydrogen 3.193 N/A MET 596.A N ARG 593.A O no hydrogen 3.435 N/A ARG 601.A NH1 CYS 504.A O no hydrogen 2.466 N/A ARG 601.A NH2 CYS 504.A O no hydrogen 2.993 N/A ARG 601.A NH2 ASP 575.A OD2 no hydrogen 3.069 N/A LEU 602.A N PHE 598.A O no hydrogen 2.337 N/A ALA 603.A N ASP 600.A O no hydrogen 3.086 N/A ARG 604.A N ASP 600.A O no hydrogen 3.086 N/A ASP 605.A N ARG 601.A O no hydrogen 3.249 N/A HIS 606.A ND1 TYR 584.A OH no hydrogen 2.243 N/A HIS 606.A NE2 ASP 575.A OD1 no hydrogen 2.531 N/A SER 609.A N HIS 606.A O no hydrogen 2.835 N/A ARG 611.A N ILE 586.A O no hydrogen 3.211 N/A ARG 611.A NH1 SER 609.A O no hydrogen 2.732 N/A ARG 611.A NH2 HIS 587.A NE2 no hydrogen 3.535 N/A ARG 611.A NH2 SER 609.A O no hydrogen 2.898 N/A TYR 613.A N TYR 588.A O no hydrogen 3.101 N/A TYR 613.A OH HIS 587.A ND1 no hydrogen 2.684 N/A GLY 615.A N GLY 590.A O no hydrogen 2.750 N/A ASP 616.A N ARG 591.A O no hydrogen 2.946 N/A GLU 617.A N ASP 616.A OD1 no hydrogen 2.762 N/A PHE 627.A N LEU 623.A O no hydrogen 3.095 N/A ALA 628.A N SER 625.A O no hydrogen 3.194 N/A GLY 633.A N GLU 631.A OE1 no hydrogen 2.619 N/A GLY 633.A N GLU 631.A OE2 no hydrogen 3.024 N/A THR 634.A N GLU 631.A O no hydrogen 3.272 N/A THR 634.A N GLU 631.A OE1 no hydrogen 2.875 N/A THR 634.A OG1 GLU 631.A OE1 no hydrogen 3.244 N/A GLN 635.A N ARG 557.A O no hydrogen 2.971 N/A VAL 636.A N THR 659.A O no hydrogen 3.028 N/A TYR 637.A OH GLN 635.A OE1 no hydrogen 2.509 N/A SER 638.A N HIS 661.A O no hydrogen 2.881 N/A SER 638.A OG HIS 661.A O no hydrogen 3.558 N/A CYS 639.A N VAL 561.A O no hydrogen 3.440 N/A CYS 639.A SG GLY 566.A O no hydrogen 3.758 N/A CYS 639.A SG GLU 663.A O no hydrogen 3.587 N/A LEU 644.A N PRO 641.A O no hydrogen 3.273 N/A LEU 645.A N PRO 641.A O no hydrogen 3.210 N/A SER 646.A N GLU 642.A O no hydrogen 2.638 N/A SER 646.A OG GLU 642.A O no hydrogen 2.573 N/A ALA 647.A N ARG 643.A O no hydrogen 3.009 N/A LEU 648.A N LEU 644.A O no hydrogen 2.611 N/A SER 649.A N LEU 645.A O no hydrogen 2.985 N/A GLU 650.A N SER 646.A O no hydrogen 3.118 N/A ALA 651.A N ALA 647.A O no hydrogen 3.058 N/A THR 652.A N LEU 648.A O no hydrogen 2.843 N/A THR 652.A OG1 THR 652.A O no hydrogen 2.388 N/A ALA 653.A N GLU 650.A O no hydrogen 3.240 N/A TRP 655.A N THR 652.A O no hydrogen 3.091 N/A TRP 655.A NE1 PHE 627.A O no hydrogen 3.333 N/A THR 659.A OG1 PRO 656.A O no hydrogen 2.404 N/A HIS 661.A N VAL 636.A O no hydrogen 2.809 N/A GLU 663.A N SER 638.A O no hydrogen 3.225 N/A HIS 664.A ND1 GLU 642.A OE1 no hydrogen 2.835 N/A HIS 664.A ND1 GLU 642.A OE2 no hydrogen 3.249 N/A SER 667.A OG GLU 716.A O no hydrogen 2.566 N/A SER 675.A N ASP 673.A OD1 no hydrogen 2.844 N/A SER 675.A OG ASP 673.A OD1 no hydrogen 2.227 N/A LYS 676.A N ASP 673.A O no hydrogen 3.247 N/A LYS 676.A NZ ASP 673.A OD2 no hydrogen 2.376 N/A GLU 677.A N PRO 674.A O no hydrogen 2.423 N/A HIS 678.A NE2 GLY 758.A O no hydrogen 2.847 N/A PHE 680.A N VAL 693.A O no hydrogen 3.137 N/A ASP 681.A N ASP 759.A O no hydrogen 3.085 N/A VAL 682.A N VAL 691.A O no hydrogen 2.979 N/A VAL 683.A N LEU 761.A O no hydrogen 3.099 N/A LEU 684.A N ILE 689.A O no hydrogen 2.602 N/A LYS 685.A N LEU 763.A O no hydrogen 3.269 N/A SER 687.A N LEU 765.A O no hydrogen 2.927 N/A SER 687.A OG LEU 765.A O no hydrogen 3.477 N/A SER 687.A OG LEU 765.A OXT no hydrogen 2.504 N/A GLY 688.A N LEU 684.A O no hydrogen 2.612 N/A ILE 689.A N LEU 684.A O no hydrogen 3.332 N/A VAL 691.A N VAL 682.A O no hydrogen 2.702 N/A VAL 693.A N PHE 680.A O no hydrogen 3.050 N/A ALA 694.A N GLN 697.A OE1 no hydrogen 2.949 N/A ASP 696.A N ASP 696.A OD1 no hydrogen 2.474 N/A GLN 697.A N ALA 694.A O no hydrogen 3.234 N/A THR 698.A N GLN 701.A OE1 no hydrogen 2.805 N/A LEU 700.A N THR 751.A O no hydrogen 2.758 N/A GLN 701.A N THR 698.A OG1 no hydrogen 2.875 N/A ALA 702.A N THR 698.A O no hydrogen 3.182 N/A LEU 703.A N VAL 699.A O no hydrogen 3.090 N/A ARG 704.A N LEU 700.A O no hydrogen 3.095 N/A ALA 705.A N GLN 701.A O no hydrogen 2.924 N/A ALA 706.A N ALA 702.A O no hydrogen 3.085 N/A ASN 707.A N ARG 704.A O no hydrogen 3.093 N/A ASN 707.A ND2 MET 373.A O no hydrogen 3.690 N/A ILE 708.A N LEU 703.A O no hydrogen 2.900 N/A ALA 710.A N GLY 445.A O no hydrogen 2.668 N/A SER 712.A OG GLU 715.A OE2 no hydrogen 2.439 N/A VAL 724.A N MET 749.A O no hydrogen 2.887 N/A VAL 726.A N LYS 747.A O no hydrogen 3.116 N/A LEU 727.A N THR 762.A O no hydrogen 2.791 N/A ASP 728.A N THR 762.A O no hydrogen 3.362 N/A VAL 731.A N GLU 730.A OE1 no hydrogen 2.325 N/A ASP 732.A N ARG 755.A O no hydrogen 2.444 N/A ARG 734.A N SER 754.A OG no hydrogen 3.095 N/A ARG 734.A NH1 GLU 677.A OE1 no hydrogen 2.242 N/A ARG 734.A NH2 GLU 677.A OE2 no hydrogen 3.007 N/A ASP 735.A N ASP 735.A OD1 no hydrogen 2.538 N/A LEU 736.A N GLY 717.A O no hydrogen 3.082 N/A LEU 738.A N ASP 735.A OD2 no hydrogen 3.193 N/A THR 739.A N GLU 742.A OE1 no hydrogen 2.851 N/A THR 739.A OG1 THR 741.A OG1 no hydrogen 2.641 N/A LYS 740.A NZ LYS 740.A O no hydrogen 3.134 N/A THR 741.A OG1 THR 739.A OG1 no hydrogen 2.641 N/A GLU 742.A N THR 739.A OG1 no hydrogen 3.003 N/A ARG 743.A N THR 739.A O no hydrogen 2.917 N/A ALA 744.A N LYS 740.A O no hydrogen 3.226 N/A ALA 745.A N THR 741.A O no hydrogen 3.059 N/A THR 748.A OG1 GLU 723.A OE2 no hydrogen 2.689 N/A MET 749.A N VAL 724.A O no hydrogen 3.150 N/A THR 751.A N CYS 722.A O no hydrogen 3.069 N/A THR 751.A OG1 CYS 722.A O no hydrogen 2.217 N/A SER 754.A N MET 750.A O no hydrogen 3.270 N/A ARG 755.A N ASP 732.A O no hydrogen 3.046 N/A ARG 755.A NH2 ALA 694.A O no hydrogen 3.047 N/A CYS 757.A SG GLU 730.A O no hydrogen 3.277 N/A GLY 758.A N HIS 678.A NE2 no hydrogen 3.214 N/A LEU 761.A N ASP 681.A O no hydrogen 3.321 N/A THR 762.A N ASP 728.A O no hydrogen 2.832 N/A LEU 763.A N VAL 683.A O no hydrogen 3.181 N/A GLN 764.A N PRO 725.A O no hydrogen 3.087 N/A