Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1u1h_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG GLY 50.A O no hydrogen 3.456 N/A SER 2.A OG ASN 353.A OD1 no hydrogen 2.676 N/A HIS 3.A N VAL 316.A O no hydrogen 2.689 N/A HIS 3.A ND1 SER 317.A OG no hydrogen 2.777 N/A HIS 3.A NE2 GLN 197.A OE1 no hydrogen 2.884 N/A ILE 4.A N PHE 53.A O no hydrogen 3.423 N/A ARG 9.A NH1 THR 58.A O no hydrogen 3.425 N/A ARG 9.A NH1 GLN 64.A OE1 no hydrogen 3.234 N/A ARG 9.A NH2 GLN 64.A OE1 no hydrogen 3.030 N/A ARG 9.A NH2 GLN 493.A OE1 no hydrogen 3.558 N/A LYS 12.A N GLU 14.A OE1 no hydrogen 2.868 N/A LYS 12.A NZ ASN 331.A OD1 no hydrogen 3.164 N/A ARG 13.A N GLY 10.A O no hydrogen 3.145 N/A GLU 14.A N GLU 14.A OE1 no hydrogen 2.648 N/A LYS 16.A N ARG 13.A O no hydrogen 3.161 N/A LYS 16.A NZ GLU 20.A OE1 no hydrogen 3.443 N/A LYS 16.A NZ GLU 20.A OE2 no hydrogen 3.141 N/A LYS 16.A NZ SER 497.A O no hydrogen 3.311 N/A PHE 17.A N ARG 13.A O no hydrogen 3.496 N/A ALA 18.A N GLU 14.A O no hydrogen 3.024 N/A LEU 19.A N LEU 15.A O no hydrogen 2.828 N/A GLU 20.A N LYS 16.A O no hydrogen 2.934 N/A SER 21.A N PHE 17.A O no hydrogen 2.774 N/A SER 21.A OG SER 27.A OG no hydrogen 2.897 N/A PHE 22.A N ALA 18.A O no hydrogen 2.944 N/A TRP 23.A N LEU 19.A O no hydrogen 2.756 N/A ASP 24.A N GLU 20.A O no hydrogen 3.086 N/A GLY 25.A N PHE 22.A O no hydrogen 2.834 N/A LYS 26.A N SER 21.A O no hydrogen 3.007 N/A SER 27.A OG SER 21.A OG no hydrogen 2.897 N/A THR 28.A N ASP 31.A OD2 no hydrogen 2.821 N/A THR 28.A OG1 ASP 31.A OD2 no hydrogen 2.793 N/A ASP 31.A N THR 28.A OG1 no hydrogen 3.216 N/A LEU 32.A N THR 28.A O no hydrogen 3.281 N/A GLN 33.A N ALA 29.A O no hydrogen 2.997 N/A LYS 34.A N GLU 30.A O no hydrogen 2.784 N/A LYS 34.A NZ ASP 38.A OD1 no hydrogen 3.079 N/A VAL 35.A N ASP 31.A O no hydrogen 3.203 N/A SER 36.A N LEU 32.A O no hydrogen 2.817 N/A SER 36.A OG LEU 32.A O no hydrogen 2.859 N/A SER 36.A OG HIS 61.A NE2 no hydrogen 2.995 N/A ALA 37.A N GLN 33.A O no hydrogen 2.729 N/A ASP 38.A N LYS 34.A O no hydrogen 3.071 N/A LEU 39.A N VAL 35.A O no hydrogen 3.202 N/A ARG 40.A N SER 36.A O no hydrogen 3.139 N/A ARG 40.A NE GLU 136.A OE1 no hydrogen 2.749 N/A ARG 40.A NH2 GLU 136.A OE1 no hydrogen 3.401 N/A ARG 40.A NH2 GLU 136.A OE2 no hydrogen 3.023 N/A SER 41.A N ALA 37.A O no hydrogen 2.962 N/A SER 42.A N ASP 38.A O no hydrogen 2.922 N/A ILE 43.A N LEU 39.A O no hydrogen 2.987 N/A TRP 44.A N ARG 40.A O no hydrogen 2.877 N/A TRP 44.A NE1 PRO 55.A O no hydrogen 3.078 N/A LYS 45.A N SER 41.A O no hydrogen 2.909 N/A GLN 46.A N SER 42.A O no hydrogen 2.964 N/A GLN 46.A NE2 TYR 7.A OH no hydrogen 3.010 N/A ALA 48.A N LYS 45.A O no hydrogen 2.787 N/A ALA 49.A N GLN 46.A O no hydrogen 3.246 N/A GLY 50.A N SER 47.A O no hydrogen 2.862 N/A LYS 52.A N SER 2.A O no hydrogen 3.298 N/A LYS 52.A N SER 2.A OG no hydrogen 3.293 N/A PHE 53.A N SER 2.A O no hydrogen 3.038 N/A SER 56.A N VAL 145.A O no hydrogen 2.917 N/A SER 56.A OG THR 144.A OG1 no hydrogen 2.848 N/A ASN 57.A N GLU 133.A OE1 no hydrogen 2.786 N/A ASN 57.A ND2 VAL 147.A O no hydrogen 2.834 N/A HIS 61.A NE2 SER 36.A OG no hydrogen 2.995 N/A ASP 63.A N TYR 90.A OH no hydrogen 3.217 N/A GLN 64.A N GLN 64.A OE1 no hydrogen 2.927 N/A LEU 66.A N ASP 63.A OD2 no hydrogen 2.827 N/A ASP 67.A N ASP 63.A O no hydrogen 2.912 N/A THR 68.A N GLN 64.A O no hydrogen 3.051 N/A THR 69.A N VAL 65.A O no hydrogen 2.900 N/A THR 69.A OG1 VAL 65.A O no hydrogen 3.303 N/A THR 69.A OG1 TYR 154.A OH no hydrogen 3.007 N/A ALA 70.A N LEU 66.A O no hydrogen 2.989 N/A GLY 72.A N ALA 70.A O no hydrogen 3.025 N/A ALA 73.A N THR 69.A O no hydrogen 3.079 N/A VAL 74.A N GLY 72.A O no hydrogen 2.898 N/A ARG 77.A NE PRO 100.A O no hydrogen 3.250 N/A ARG 77.A NH1 GLU 116.A OE1 no hydrogen 3.034 N/A ARG 77.A NH2 TYR 78.A OH no hydrogen 3.265 N/A ARG 77.A NH2 GLU 116.A OE2 no hydrogen 2.906 N/A TYR 78.A N PRO 75.A O no hydrogen 3.227 N/A TYR 78.A OH PRO 100.A O no hydrogen 2.846 N/A GLY 79.A N PRO 76.A O no hydrogen 2.861 N/A TYR 80.A OH GLY 83.A O no hydrogen 2.504 N/A ILE 85.A N ALA 126.A O no hydrogen 2.775 N/A TYR 90.A N GLY 86.A O no hydrogen 3.088 N/A TYR 90.A OH ASP 63.A O no hydrogen 3.174 N/A TYR 90.A OH ASP 67.A OD1 no hydrogen 2.653 N/A PHE 91.A N LEU 87.A O no hydrogen 2.785 N/A SER 92.A N ASP 88.A O no hydrogen 2.887 N/A ARG 94.A N PHE 91.A O no hydrogen 2.690 N/A GLY 95.A N SER 92.A O no hydrogen 2.764 N/A ASN 96.A N VAL 99.A O no hydrogen 2.866 N/A SER 98.A N ASN 96.A OD1 no hydrogen 2.836 N/A SER 98.A OG ASN 96.A OD1 no hydrogen 3.401 N/A VAL 99.A N ASN 96.A O no hydrogen 3.407 N/A TRP 105.A N TYR 110.A O no hydrogen 2.878 N/A THR 108.A N TRP 105.A O no hydrogen 3.024 N/A THR 108.A OG1 TRP 105.A O no hydrogen 2.735 N/A TYR 110.A N THR 108.A OG1 no hydrogen 3.203 N/A TYR 110.A OH TYR 62.A O no hydrogen 3.251 N/A TYR 110.A OH ASP 63.A OD1 no hydrogen 2.655 N/A TYR 110.A OH GLN 64.A OE1 no hydrogen 3.284 N/A HIS 111.A N SER 494.A O no hydrogen 2.990 N/A HIS 111.A ND1 SER 494.A O no hydrogen 3.189 N/A TYR 112.A N THR 103.A O no hydrogen 2.844 N/A TYR 112.A OH LEU 157.A O no hydrogen 2.606 N/A ILE 113.A N ASP 63.A OD2 no hydrogen 3.221 N/A VAL 114.A N GLU 102.A O no hydrogen 2.902 N/A LEU 117.A N LYS 159.A O no hydrogen 2.898 N/A VAL 121.A N GLY 118.A O no hydrogen 3.180 N/A SER 124.A N LEU 71.A O no hydrogen 2.956 N/A TYR 125.A OH GLU 187.A OE1 no hydrogen 2.684 N/A HIS 128.A N GLU 84.A OE2 no hydrogen 2.728 N/A HIS 128.A ND1 GLU 84.A OE1 no hydrogen 2.764 N/A HIS 128.A ND1 GLU 84.A OE2 no hydrogen 3.217 N/A LYS 129.A NZ ASN 57.A OD1 no hydrogen 2.920 N/A LYS 129.A NZ PHE 59.A O no hydrogen 2.621 N/A LYS 129.A NZ GLU 133.A OE2 no hydrogen 2.570 N/A ASN 132.A N HIS 128.A O no hydrogen 2.899 N/A GLU 133.A N LYS 129.A O no hydrogen 2.942 N/A TYR 134.A N ALA 130.A O no hydrogen 2.882 N/A TYR 134.A OH ASP 143.A OD1 no hydrogen 2.581 N/A LYS 135.A N VAL 131.A O no hydrogen 2.965 N/A GLU 136.A N ASN 132.A O no hydrogen 2.774 N/A ALA 137.A N GLU 133.A O no hydrogen 2.988 N/A LYS 138.A N TYR 134.A O no hydrogen 2.912 N/A LYS 138.A NZ TYR 134.A OH no hydrogen 3.007 N/A ALA 139.A N LYS 135.A O no hydrogen 2.948 N/A LEU 140.A N GLU 136.A O no hydrogen 3.112 N/A GLY 141.A N LYS 138.A O no hydrogen 2.709 N/A VAL 142.A N ALA 137.A O no hydrogen 2.930 N/A THR 144.A OG1 SER 56.A OG no hydrogen 2.848 N/A VAL 145.A N ILE 54.A O no hydrogen 2.608 N/A VAL 147.A N SER 56.A O no hydrogen 2.879 N/A LEU 148.A N GLN 197.A O no hydrogen 2.825 N/A GLY 150.A N ASP 199.A O no hydrogen 2.677 N/A SER 153.A N GLU 200.A OE1 no hydrogen 3.091 N/A SER 153.A OG GLU 200.A OE1 no hydrogen 2.638 N/A TYR 154.A N GLY 150.A O no hydrogen 2.861 N/A TYR 154.A OH THR 69.A OG1 no hydrogen 3.007 N/A LEU 155.A N PRO 151.A O no hydrogen 3.193 N/A LEU 156.A N VAL 152.A O no hydrogen 3.060 N/A LEU 157.A N SER 153.A O no hydrogen 2.956 N/A LEU 157.A N TYR 154.A O no hydrogen 3.367 N/A SER 158.A N LEU 155.A O no hydrogen 2.989 N/A SER 158.A OG TYR 154.A O no hydrogen 2.819 N/A LYS 159.A N PRO 115.A O no hydrogen 2.900 N/A LYS 159.A NZ SER 158.A O no hydrogen 3.354 N/A ALA 161.A N LEU 117.A O no hydrogen 2.832 N/A VAL 164.A N ALA 161.A O no hydrogen 3.260 N/A SER 167.A OG ASP 165.A OD2 no hydrogen 2.705 N/A PHE 168.A N ASP 165.A O no hydrogen 3.167 N/A LEU 171.A N GLU 169.A OE1 no hydrogen 2.891 N/A SER 172.A N GLU 169.A O no hydrogen 2.819 N/A SER 172.A OG GLU 169.A O no hydrogen 2.402 N/A LEU 173.A N LEU 170.A O no hydrogen 2.778 N/A LYS 176.A N LEU 173.A O no hydrogen 2.677 N/A ILE 177.A N LEU 173.A O no hydrogen 3.273 N/A ILE 177.A N LEU 174.A O no hydrogen 3.201 N/A LEU 178.A N LEU 174.A O no hydrogen 3.041 N/A TYR 181.A N ILE 177.A O no hydrogen 3.148 N/A TYR 181.A OH VAL 149.A O no hydrogen 2.695 N/A LYS 182.A N LEU 178.A O no hydrogen 2.924 N/A LYS 182.A NZ GLU 220.A OE2 no hydrogen 2.914 N/A GLU 183.A N PRO 179.A O no hydrogen 3.134 N/A VAL 184.A N ILE 180.A O no hydrogen 3.053 N/A ILE 185.A N TYR 181.A O no hydrogen 2.976 N/A THR 186.A N LYS 182.A O no hydrogen 2.912 N/A THR 186.A OG1 LYS 182.A O no hydrogen 2.885 N/A GLU 187.A N GLU 183.A O no hydrogen 3.091 N/A LEU 188.A N VAL 184.A O no hydrogen 3.039 N/A LYS 189.A N ILE 185.A O no hydrogen 3.023 N/A LYS 189.A NZ THR 224.A O no hydrogen 2.896 N/A ALA 190.A N THR 186.A O no hydrogen 2.995 N/A ALA 191.A N GLU 187.A O no hydrogen 2.784 N/A GLY 192.A N LYS 189.A O no hydrogen 2.965 N/A ALA 193.A N LEU 188.A O no hydrogen 3.004 N/A ILE 196.A N ASN 229.A O no hydrogen 3.165 N/A GLN 197.A N PRO 146.A O no hydrogen 2.764 N/A GLN 197.A NE2 VAL 5.A O no hydrogen 3.024 N/A GLN 197.A NE2 ASP 199.A OD1 no hydrogen 3.027 N/A LEU 198.A N LEU 231.A O no hydrogen 2.770 N/A ASP 199.A N LEU 148.A O no hydrogen 2.831 N/A GLU 200.A N GLU 233.A O no hydrogen 2.931 N/A VAL 202.A N SER 153.A OG no hydrogen 3.348 N/A LEU 203.A N GLU 200.A O no hydrogen 3.044 N/A VAL 204.A N PRO 201.A O no hydrogen 2.903 N/A GLN 209.A NE2 GLU 207.A OE1 no hydrogen 2.561 N/A LYS 210.A N GLU 207.A O no hydrogen 3.248 N/A LEU 211.A N GLU 207.A O no hydrogen 3.255 N/A GLN 212.A N GLY 208.A O no hydrogen 3.149 N/A ALA 213.A N LYS 210.A O no hydrogen 2.736 N/A PHE 214.A N LEU 211.A O no hydrogen 2.901 N/A THR 215.A N LEU 211.A O no hydrogen 3.368 N/A GLY 216.A N GLN 212.A O no hydrogen 3.041 N/A ALA 217.A N ALA 213.A O no hydrogen 3.045 N/A TYR 218.A N PHE 214.A O no hydrogen 2.936 N/A TYR 218.A OH GLU 200.A OE2 no hydrogen 2.500 N/A ALA 219.A N THR 215.A O no hydrogen 3.022 N/A GLU 220.A N GLY 216.A O no hydrogen 2.919 N/A LEU 221.A N TYR 218.A O no hydrogen 3.199 N/A GLU 222.A N TYR 218.A O no hydrogen 2.844 N/A LEU 225.A N LEU 221.A O no hydrogen 2.962 N/A SER 226.A N SER 223.A O no hydrogen 3.373 N/A ASN 229.A N THR 194.A O no hydrogen 2.955 N/A VAL 230.A N THR 254.A OG1 no hydrogen 3.109 N/A LEU 231.A N ILE 196.A O no hydrogen 3.062 N/A VAL 232.A N ALA 255.A O no hydrogen 3.111 N/A GLU 233.A N LEU 198.A O no hydrogen 2.675 N/A THR 234.A N GLU 233.A OE1 no hydrogen 2.865 N/A TYR 235.A OH ASP 199.A OD2 no hydrogen 2.813 N/A PHE 236.A N ASP 259.A OD2 no hydrogen 2.787 N/A ILE 239.A N THR 266.A OG1 no hydrogen 2.703 N/A TYR 244.A N PRO 240.A O no hydrogen 2.798 N/A TYR 244.A OH GLY 273.A O no hydrogen 3.147 N/A LYS 245.A N ALA 241.A O no hydrogen 3.287 N/A LYS 245.A N GLU 242.A O no hydrogen 2.900 N/A THR 246.A N GLU 242.A O no hydrogen 3.156 N/A LEU 247.A N ALA 243.A O no hydrogen 2.953 N/A THR 248.A N TYR 244.A O no hydrogen 2.973 N/A THR 248.A OG1 TYR 244.A O no hydrogen 2.749 N/A THR 248.A OG1 LYS 245.A O no hydrogen 3.529 N/A SER 249.A N THR 246.A O no hydrogen 3.421 N/A SER 249.A OG LYS 245.A O no hydrogen 2.787 N/A SER 249.A OG THR 246.A O no hydrogen 3.415 N/A LEU 250.A N LEU 247.A O no hydrogen 3.338 N/A VAL 253.A N LEU 250.A O no hydrogen 3.444 N/A THR 254.A N VAL 230.A O no hydrogen 3.016 N/A THR 254.A OG1 ASN 229.A OD1 no hydrogen 2.699 N/A ALA 255.A N VAL 230.A O no hydrogen 2.825 N/A PHE 256.A N TYR 279.A O no hydrogen 2.983 N/A GLY 257.A N VAL 232.A O no hydrogen 3.003 N/A PHE 258.A N PHE 281.A O no hydrogen 3.058 N/A LEU 260.A N GLY 283.A O no hydrogen 3.018 N/A VAL 261.A N ASP 259.A OD1 no hydrogen 2.891 N/A ARG 262.A N ASP 259.A OD1 no hydrogen 2.717 N/A THR 266.A N GLY 263.A O no hydrogen 2.885 N/A THR 266.A OG1 GLY 263.A O no hydrogen 3.302 N/A LEU 267.A N THR 264.A O no hydrogen 2.779 N/A ASP 268.A N LYS 265.A O no hydrogen 3.058 N/A VAL 270.A N THR 266.A O no hydrogen 3.213 N/A LYS 271.A N LEU 267.A O no hydrogen 2.909 N/A ALA 272.A N ASP 268.A O no hydrogen 2.943 N/A GLY 273.A N LEU 269.A O no hydrogen 2.881 N/A LYS 278.A NZ VAL 253.A O no hydrogen 3.444 N/A TYR 279.A N THR 254.A O no hydrogen 2.801 N/A LEU 280.A N LYS 313.A O no hydrogen 2.823 N/A PHE 281.A N PHE 256.A O no hydrogen 2.759 N/A ALA 282.A N VAL 315.A O no hydrogen 2.837 N/A GLY 283.A N PHE 258.A O no hydrogen 2.957 N/A VAL 284.A N ALA 282.A O no hydrogen 2.861 N/A VAL 284.A N SER 317.A O no hydrogen 3.099 N/A VAL 285.A N SER 317.A O no hydrogen 3.405 N/A GLY 287.A N SER 319.A OG no hydrogen 2.969 N/A ARG 288.A N ASP 286.A OD1 no hydrogen 2.903 N/A ARG 288.A NH2 ASP 107.A OD1 no hydrogen 2.366 N/A ASN 289.A ND2 VAL 542.A O no hydrogen 3.138 N/A ILE 290.A N ASN 289.A OD1 no hydrogen 2.825 N/A TRP 291.A NE1 VAL 542.A O no hydrogen 3.021 N/A ALA 292.A N TRP 342.A O no hydrogen 2.838 N/A ASN 293.A N GLU 351.A OE2 no hydrogen 2.917 N/A ASN 293.A ND2 SER 298.A OG no hydrogen 3.062 N/A PHE 295.A N ASN 371.A OD1 no hydrogen 3.259 N/A ALA 297.A N ASP 294.A OD1 no hydrogen 3.265 N/A SER 298.A N ASP 294.A O no hydrogen 2.926 N/A SER 298.A OG ASN 293.A OD1 no hydrogen 2.897 N/A SER 298.A OG ASP 294.A O no hydrogen 3.198 N/A LEU 299.A N PHE 295.A O no hydrogen 2.851 N/A SER 300.A N ALA 296.A O no hydrogen 3.010 N/A THR 301.A N ALA 297.A O no hydrogen 3.016 N/A THR 301.A OG1 ALA 297.A O no hydrogen 3.233 N/A LEU 302.A N SER 298.A O no hydrogen 2.773 N/A GLN 303.A N LEU 299.A O no hydrogen 2.854 N/A ALA 304.A N SER 300.A O no hydrogen 3.371 N/A LEU 305.A N THR 301.A O no hydrogen 3.149 N/A GLU 306.A N LEU 302.A O no hydrogen 2.936 N/A GLY 307.A N GLN 303.A O no hydrogen 3.142 N/A ILE 308.A N ALA 304.A O no hydrogen 3.366 N/A VAL 309.A N LEU 305.A O no hydrogen 3.031 N/A LYS 311.A N VAL 309.A O no hydrogen 2.353 N/A ASP 312.A N GLY 310.A O no hydrogen 2.408 N/A LYS 313.A NZ GLY 277.A O no hydrogen 3.362 N/A VAL 315.A N LEU 280.A O no hydrogen 3.042 N/A VAL 316.A N ALA 1.A O no hydrogen 3.131 N/A SER 317.A N ALA 282.A O no hydrogen 2.792 N/A SER 317.A OG HIS 3.A ND1 no hydrogen 2.777 N/A SER 317.A OG THR 318.A O no hydrogen 3.301 N/A THR 318.A OG1 CYS 320.A O no hydrogen 2.983 N/A SER 319.A N VAL 285.A O no hydrogen 2.657 N/A SER 319.A OG VAL 285.A O no hydrogen 3.495 N/A SER 319.A OG ASP 286.A OD1 no hydrogen 3.416 N/A CYS 320.A SG SER 321.A O no hydrogen 3.594 N/A LEU 322.A N GLY 6.A O no hydrogen 3.122 N/A LEU 323.A N SER 321.A OG no hydrogen 3.123 N/A HIS 324.A N SER 321.A O no hydrogen 3.400 N/A THR 325.A N LEU 322.A O no hydrogen 3.012 N/A THR 325.A OG1 ASN 289.A O no hydrogen 2.988 N/A LEU 329.A N GLN 347.A OE1 no hydrogen 2.874 N/A ILE 330.A N ASP 328.A OD1 no hydrogen 2.927 N/A ASN 331.A N ASP 328.A O no hydrogen 3.166 N/A GLU 332.A N LEU 329.A O no hydrogen 2.799 N/A ILE 339.A N ASP 336.A OD2 no hydrogen 2.970 N/A LYS 340.A N ASP 336.A O no hydrogen 3.174 N/A LYS 340.A NZ GLU 332.A O no hydrogen 2.777 N/A SER 341.A N ASP 337.A O no hydrogen 2.887 N/A SER 341.A OG ASP 337.A O no hydrogen 3.556 N/A SER 341.A OG GLU 338.A O no hydrogen 2.408 N/A TRP 342.A N ILE 339.A O no hydrogen 3.134 N/A TRP 342.A NE1 SER 377.A OG no hydrogen 3.031 N/A PHE 344.A N GLN 347.A OE1 no hydrogen 3.055 N/A ALA 345.A N ALA 326.A O no hydrogen 2.800 N/A ALA 346.A N VAL 327.A O no hydrogen 2.875 N/A GLN 347.A NE2 ASP 328.A OD1 no hydrogen 2.741 N/A LYS 348.A N PHE 344.A O no hydrogen 2.833 N/A LYS 348.A NZ ASP 286.A O no hydrogen 2.575 N/A LYS 348.A NZ ASN 289.A O no hydrogen 3.243 N/A LYS 348.A NZ TRP 291.A O no hydrogen 3.491 N/A VAL 349.A N ALA 345.A O no hydrogen 3.084 N/A GLU 351.A N GLN 347.A O no hydrogen 3.011 N/A VAL 352.A N LYS 348.A O no hydrogen 3.046 N/A ASN 353.A N VAL 349.A O no hydrogen 3.224 N/A ASN 353.A ND2 THR 51.A OG1 no hydrogen 2.976 N/A ASN 353.A ND2 VAL 349.A O no hydrogen 2.779 N/A ALA 354.A N VAL 350.A O no hydrogen 2.764 N/A LEU 355.A N GLU 351.A O no hydrogen 2.893 N/A ALA 356.A N VAL 352.A O no hydrogen 2.926 N/A LYS 357.A N ASN 353.A O no hydrogen 2.898 N/A ALA 358.A N ALA 354.A O no hydrogen 2.904 N/A LEU 359.A N LEU 355.A O no hydrogen 2.978 N/A ALA 360.A N ALA 356.A O no hydrogen 3.148 N/A ALA 360.A N LYS 357.A O no hydrogen 2.938 N/A GLY 361.A N ALA 358.A O no hydrogen 3.257 N/A GLN 362.A N LYS 357.A O no hydrogen 3.002 N/A ALA 366.A N ASP 364.A OD1 no hydrogen 2.939 N/A LEU 367.A N ASP 364.A O no hydrogen 2.884 N/A LEU 367.A N ASP 364.A OD1 no hydrogen 3.275 N/A PHE 368.A N ASP 364.A O no hydrogen 3.376 N/A SER 369.A N GLU 365.A O no hydrogen 3.311 N/A SER 369.A OG GLU 365.A O no hydrogen 2.849 N/A ALA 370.A N ALA 366.A O no hydrogen 3.351 N/A ASN 371.A N LEU 367.A O no hydrogen 2.977 N/A ASN 371.A ND2 ASN 293.A O no hydrogen 3.101 N/A ALA 372.A N PHE 368.A O no hydrogen 2.871 N/A ALA 373.A N SER 369.A O no hydrogen 3.026 N/A ALA 374.A N ALA 370.A O no hydrogen 3.030 N/A LEU 375.A N ASN 371.A O no hydrogen 2.895 N/A ALA 376.A N ALA 372.A O no hydrogen 3.017 N/A SER 377.A N ALA 373.A O no hydrogen 2.897 N/A SER 377.A OG ALA 374.A O no hydrogen 2.925 N/A ARG 378.A N ALA 374.A O no hydrogen 3.037 N/A ARG 378.A NH1 ASN 544.A OD1 no hydrogen 3.324 N/A ARG 378.A NH2 ASN 544.A OD1 no hydrogen 3.083 N/A ARG 379.A N LEU 375.A O no hydrogen 2.968 N/A ARG 379.A NH2 ASP 294.A OD2 no hydrogen 2.983 N/A SER 380.A N SER 377.A O no hydrogen 3.289 N/A SER 380.A OG ALA 376.A O no hydrogen 3.221 N/A SER 380.A OG SER 377.A O no hydrogen 3.420 N/A SER 381.A N ARG 378.A O no hydrogen 3.406 N/A ARG 383.A N SER 381.A OG no hydrogen 3.281 N/A ARG 383.A NH1 ASP 336.A OD2 no hydrogen 2.897 N/A ARG 383.A NH1 GLU 338.A OE1 no hydrogen 3.002 N/A ARG 383.A NH2 ASP 336.A OD1 no hydrogen 2.841 N/A ARG 383.A NH2 ASP 336.A OD2 no hydrogen 3.418 N/A VAL 384.A N SER 381.A O no hydrogen 3.302 N/A THR 385.A N SER 381.A O no hydrogen 3.441 N/A VAL 389.A N ASN 386.A O no hydrogen 2.935 N/A GLN 390.A N GLU 387.A O no hydrogen 2.871 N/A ALA 392.A N GLY 388.A O no hydrogen 2.763 N/A ALA 393.A N VAL 389.A O no hydrogen 3.021 N/A ALA 395.A N ALA 392.A O no hydrogen 3.247 N/A LYS 397.A N ALA 394.A O no hydrogen 2.737 N/A GLY 398.A N LEU 396.A O no hydrogen 2.422 N/A ARG 402.A NH1 ASP 636.A OD2 no hydrogen 2.717 N/A ARG 402.A NH2 THR 614.A O no hydrogen 3.356 N/A THR 405.A OG1 ARG 403.A O no hydrogen 2.909 N/A THR 405.A OG1 ASP 612.A OD2 no hydrogen 2.484 N/A SER 408.A N ASN 406.A OD1 no hydrogen 2.682 N/A SER 408.A OG ASN 406.A OD1 no hydrogen 3.048 N/A ARG 410.A N ASN 406.A O no hydrogen 3.015 N/A ARG 410.A NH1 ASP 634.A OD2 no hydrogen 3.103 N/A ARG 410.A NH2 ASP 634.A OD1 no hydrogen 2.925 N/A ARG 410.A NH2 ASP 634.A OD2 no hydrogen 3.078 N/A LEU 411.A N VAL 407.A O no hydrogen 2.760 N/A ASP 412.A N ALA 409.A O no hydrogen 2.932 N/A ALA 413.A N ALA 409.A O no hydrogen 3.382 N/A GLN 414.A N ARG 410.A O no hydrogen 3.267 N/A GLN 414.A NE2 ASP 612.A O no hydrogen 3.576 N/A GLN 414.A NE2 THR 614.A O no hydrogen 2.952 N/A GLN 414.A NE2 ASP 636.A OD2 no hydrogen 2.684 N/A GLN 415.A N LEU 411.A O no hydrogen 2.979 N/A GLN 415.A NE2 LEU 420.A O no hydrogen 3.329 N/A LYS 416.A N ASP 412.A O no hydrogen 3.092 N/A LYS 416.A N ALA 413.A O no hydrogen 3.217 N/A LYS 417.A N ALA 413.A O no hydrogen 3.372 N/A LEU 418.A N GLN 414.A O no hydrogen 2.764 N/A LEU 420.A N LEU 418.A O no hydrogen 2.408 N/A THR 425.A N ASP 462.A OD2 no hydrogen 2.517 N/A THR 425.A OG1 ASP 462.A OD2 no hydrogen 2.980 N/A THR 426.A N VAL 698.A O no hydrogen 3.257 N/A THR 426.A OG1 THR 427.A O no hydrogen 3.468 N/A THR 426.A OG1 VAL 463.A O no hydrogen 2.950 N/A PHE 431.A N GLY 467.A O no hydrogen 3.379 N/A THR 434.A OG1 GLU 447.A OE2 no hydrogen 3.282 N/A ASP 440.A N GLU 439.A OE1 no hydrogen 2.745 N/A LYS 443.A NZ GLU 439.A O no hydrogen 3.052 N/A ALA 444.A N ASP 440.A O no hydrogen 2.973 N/A ILE 445.A N TYR 441.A O no hydrogen 3.121 N/A LYS 446.A N VAL 442.A O no hydrogen 3.243 N/A GLU 448.A N ALA 444.A O no hydrogen 3.225 N/A ILE 449.A N ILE 445.A O no hydrogen 2.929 N/A LYS 450.A N LYS 446.A O no hydrogen 3.196 N/A LYS 451.A N GLU 447.A O no hydrogen 3.237 N/A LYS 451.A N GLU 448.A O no hydrogen 2.775 N/A LYS 451.A NZ GLY 467.A O no hydrogen 3.446 N/A VAL 452.A N GLU 448.A O no hydrogen 2.671 N/A VAL 453.A N ILE 449.A O no hydrogen 2.605 N/A ASP 454.A N LYS 450.A O no hydrogen 3.033 N/A LEU 455.A N LYS 451.A O no hydrogen 2.697 N/A GLN 456.A N VAL 452.A O no hydrogen 2.894 N/A GLN 456.A NE2 THR 524.A OG1 no hydrogen 2.640 N/A GLU 457.A N VAL 453.A O no hydrogen 3.238 N/A GLU 458.A N ASP 454.A O no hydrogen 2.434 N/A ILE 461.A N LEU 459.A O no hydrogen 2.578 N/A ASP 462.A N THR 425.A OG1 no hydrogen 2.785 N/A VAL 463.A N THR 425.A O no hydrogen 2.926 N/A LEU 464.A N PRO 527.A O no hydrogen 2.786 N/A HIS 466.A N HIS 466.A ND1 no hydrogen 2.984 N/A ARG 471.A N GLU 468.A O no hydrogen 3.014 N/A ARG 471.A NE GLU 470.A OE1 no hydrogen 3.327 N/A GLU 475.A N ASP 473.A OD2 no hydrogen 3.028 N/A TYR 476.A N ASP 473.A O no hydrogen 2.971 N/A PHE 477.A N VAL 474.A O no hydrogen 3.012 N/A GLY 478.A N VAL 474.A O no hydrogen 2.902 N/A GLU 479.A N GLU 475.A O no hydrogen 2.950 N/A GLN 480.A N PHE 477.A O no hydrogen 3.014 N/A GLN 480.A NE2 TYR 476.A O no hydrogen 3.285 N/A LEU 481.A N GLY 478.A O no hydrogen 3.099 N/A SER 482.A N SER 510.A O no hydrogen 3.133 N/A SER 482.A OG ASP 508.A O no hydrogen 3.188 N/A PHE 484.A N SER 482.A O no hydrogen 2.757 N/A ALA 485.A N VAL 504.A O no hydrogen 2.692 N/A ALA 488.A N GLU 332.A OE1 no hydrogen 2.565 N/A ASN 489.A N GLU 332.A OE2 no hydrogen 2.642 N/A ASN 489.A ND2 ASN 331.A O no hydrogen 2.868 N/A TRP 491.A N ASN 489.A O no hydrogen 2.999 N/A VAL 492.A N VAL 500.A O no hydrogen 2.892 N/A SER 494.A N ARG 498.A O no hydrogen 2.913 N/A TYR 495.A N ARG 498.A O no hydrogen 3.285 N/A SER 497.A OG GLU 20.A OE2 no hydrogen 2.696 N/A CYS 499.A SG SER 497.A O no hydrogen 3.763 N/A VAL 500.A N VAL 492.A O no hydrogen 2.979 N/A LYS 501.A NZ THR 487.A O no hydrogen 2.810 N/A VAL 504.A N ALA 485.A O no hydrogen 2.861 N/A ILE 505.A N PHE 541.A O no hydrogen 3.197 N/A TYR 506.A N GLY 483.A O no hydrogen 2.774 N/A GLY 507.A N GLY 483.A O no hydrogen 3.305 N/A ASP 508.A N VAL 384.A O no hydrogen 2.697 N/A ARG 511.A NE ARG 511.A O no hydrogen 3.544 N/A ARG 511.A NH1 GLU 562.A OE2 no hydrogen 2.730 N/A SER 519.A N THR 515.A O no hydrogen 2.948 N/A SER 519.A OG THR 515.A O no hydrogen 3.225 N/A ALA 520.A N VAL 516.A O no hydrogen 2.839 N/A GLN 522.A N SER 519.A O no hydrogen 2.843 N/A GLN 522.A NE2 ARG 526.A O no hydrogen 3.147 N/A SER 523.A N ALA 521.A O no hydrogen 2.933 N/A ARG 526.A N THR 524.A OG1 no hydrogen 2.875 N/A ARG 526.A NH2 ASP 460.A OD2 no hydrogen 2.930 N/A LYS 528.A NZ THR 427.A O no hydrogen 3.433 N/A LYS 528.A NZ GLN 575.A OE1 no hydrogen 2.653 N/A GLY 529.A N VAL 573.A O no hydrogen 2.741 N/A GLY 532.A N ASP 577.A O no hydrogen 2.929 N/A VAL 534.A N GLU 578.A OE2 no hydrogen 3.072 N/A THR 535.A N GLU 578.A OE1 no hydrogen 2.957 N/A THR 535.A OG1 GLU 578.A OE1 no hydrogen 2.651 N/A ILE 536.A N GLY 532.A O no hydrogen 3.381 N/A LEU 537.A N PRO 533.A O no hydrogen 2.974 N/A ASN 538.A N VAL 534.A O no hydrogen 2.796 N/A ASN 538.A ND2 ALA 580.A O no hydrogen 2.662 N/A ASN 538.A ND2 TYR 595.A OH no hydrogen 3.425 N/A TRP 539.A N THR 535.A O no hydrogen 3.088 N/A SER 540.A N LEU 537.A O no hydrogen 3.269 N/A SER 540.A OG PRO 503.A O no hydrogen 3.497 N/A SER 540.A OG ILE 536.A O no hydrogen 3.102 N/A PHE 541.A N PRO 503.A O no hydrogen 2.833 N/A ARG 543.A NH1 ASP 545.A OD2 no hydrogen 3.164 N/A ARG 543.A NH2 ASP 508.A OD1 no hydrogen 2.694 N/A GLN 546.A NE2 THR 551.A OG1 no hydrogen 2.638 N/A GLN 546.A NE2 GLN 554.A OE1 no hydrogen 3.663 N/A ARG 548.A NH2 GLY 584.A O no hydrogen 3.198 N/A THR 551.A N PRO 547.A O no hydrogen 3.303 N/A CYS 552.A N ARG 548.A O no hydrogen 2.738 N/A CYS 552.A SG SER 602.A OG no hydrogen 3.231 N/A TYR 553.A N HIS 549.A O no hydrogen 2.915 N/A TYR 553.A OH HIS 601.A ND1 no hydrogen 3.208 N/A GLN 554.A N GLU 550.A O no hydrogen 3.449 N/A ILE 555.A N THR 551.A O no hydrogen 3.170 N/A ALA 556.A N CYS 552.A O no hydrogen 2.916 N/A LEU 557.A N TYR 553.A O no hydrogen 2.765 N/A ALA 558.A N GLN 554.A O no hydrogen 3.206 N/A ILE 559.A N ILE 555.A O no hydrogen 3.012 N/A LYS 560.A N ALA 556.A O no hydrogen 2.766 N/A LYS 560.A NZ GLU 564.A OE2 no hydrogen 2.892 N/A ASP 561.A N ALA 558.A O no hydrogen 3.282 N/A VAL 563.A N ILE 559.A O no hydrogen 3.056 N/A GLU 564.A N LYS 560.A O no hydrogen 3.287 N/A ASP 565.A N ASP 561.A O no hydrogen 2.727 N/A ASP 565.A N GLU 562.A O no hydrogen 3.167 N/A LEU 566.A N GLU 562.A O no hydrogen 2.772 N/A GLU 567.A N VAL 563.A O no hydrogen 2.842 N/A LYS 568.A N GLU 564.A O no hydrogen 3.141 N/A GLY 569.A N ASP 565.A O no hydrogen 2.874 N/A GLY 570.A N GLU 567.A O no hydrogen 3.142 N/A ILE 571.A N LEU 566.A O no hydrogen 2.906 N/A ILE 574.A N GLN 615.A O no hydrogen 2.944 N/A GLN 575.A N GLY 529.A O no hydrogen 2.791 N/A GLN 575.A NE2 ILE 428.A O no hydrogen 2.749 N/A ILE 576.A N HIS 617.A O no hydrogen 2.523 N/A ASP 577.A N LEU 530.A O no hydrogen 2.912 N/A GLU 578.A N HIS 619.A O no hydrogen 2.715 N/A ALA 580.A N THR 535.A OG1 no hydrogen 3.029 N/A LEU 581.A N GLU 578.A O no hydrogen 3.275 N/A ARG 582.A N TYR 621.A OH no hydrogen 3.116 N/A ARG 582.A NH2 HIS 623.A O no hydrogen 2.395 N/A GLU 583.A N ALA 580.A O no hydrogen 3.255 N/A GLY 584.A N TYR 595.A OH no hydrogen 3.174 N/A LEU 585.A N ARG 582.A O no hydrogen 3.207 N/A ARG 588.A NE ASP 205.A OD1 no hydrogen 3.044 N/A ARG 588.A NH1 VAL 204.A O no hydrogen 3.507 N/A ARG 588.A NH1 ASP 238.A O no hydrogen 3.270 N/A ARG 588.A NH1 ASP 238.A OD1 no hydrogen 2.835 N/A ARG 588.A NH2 VAL 204.A O no hydrogen 2.508 N/A ARG 588.A NH2 ASP 205.A OD1 no hydrogen 3.358 N/A LYS 589.A N ASP 205.A OD2 no hydrogen 2.906 N/A GLU 591.A N ARG 588.A O no hydrogen 3.065 N/A HIS 592.A N LYS 589.A O no hydrogen 3.039 N/A TYR 595.A OH LEU 581.A O no hydrogen 2.541 N/A LEU 596.A N HIS 592.A O no hydrogen 3.030 N/A ASP 597.A N ALA 593.A O no hydrogen 2.957 N/A TRP 598.A N PHE 594.A O no hydrogen 3.324 N/A ALA 599.A N TYR 595.A O no hydrogen 2.916 N/A VAL 600.A N LEU 596.A O no hydrogen 3.036 N/A HIS 601.A N ASP 597.A O no hydrogen 2.874 N/A HIS 601.A NE2 ASP 400.A OD1 no hydrogen 2.651 N/A SER 602.A N TRP 598.A O no hydrogen 2.847 N/A SER 602.A OG TRP 598.A O no hydrogen 2.653 N/A PHE 603.A N ALA 599.A O no hydrogen 3.236 N/A ARG 604.A N VAL 600.A O no hydrogen 2.937 N/A ARG 604.A NE ASP 633.A O no hydrogen 2.718 N/A ARG 604.A NH2 ASP 633.A O no hydrogen 3.516 N/A ILE 605.A N HIS 601.A O no hydrogen 2.816 N/A THR 606.A N PHE 603.A O no hydrogen 3.045 N/A THR 606.A OG1 SER 602.A O no hydrogen 3.429 N/A ASN 607.A N ARG 604.A O no hydrogen 2.731 N/A CYS 608.A SG ASP 400.A OD2 no hydrogen 3.848 N/A VAL 610.A N ASN 607.A O no hydrogen 3.223 N/A GLN 611.A N GLU 567.A OE2 no hydrogen 2.679 N/A THR 614.A N GLN 611.A O no hydrogen 3.290 N/A THR 614.A OG1 GLU 567.A OE2 no hydrogen 2.426 N/A GLN 615.A N GLY 572.A O no hydrogen 2.956 N/A GLN 615.A NE2 GLN 414.A OE1 no hydrogen 2.914 N/A ILE 616.A N ASP 636.A OD2 no hydrogen 2.595 N/A HIS 617.A N ILE 574.A O no hydrogen 2.881 N/A THR 618.A N VAL 637.A O no hydrogen 3.003 N/A THR 618.A OG1 ILE 576.A O no hydrogen 3.019 N/A HIS 619.A N ILE 576.A O no hydrogen 3.167 N/A CYS 620.A SG HIS 619.A NE2 no hydrogen 3.827 N/A TYR 621.A OH GLU 583.A OE2 no hydrogen 2.903 N/A ILE 627.A N PHE 624.A O no hydrogen 2.869 N/A SER 630.A N ILE 627.A O no hydrogen 3.069 N/A ILE 631.A N ILE 627.A O no hydrogen 3.298 N/A ILE 632.A N ILE 628.A O no hydrogen 3.186 N/A ASP 633.A N HIS 629.A O no hydrogen 3.101 N/A ASP 636.A N ILE 616.A O no hydrogen 3.048 N/A VAL 637.A N ILE 616.A O no hydrogen 3.278 N/A ILE 638.A N GLY 662.A O no hydrogen 2.924 N/A THR 639.A N THR 618.A O no hydrogen 3.059 N/A THR 639.A OG1 GLY 664.A O no hydrogen 2.840 N/A GLU 641.A N TYR 621.A O no hydrogen 2.755 N/A ASN 642.A N ASP 701.A OD1 no hydrogen 2.888 N/A ASN 642.A ND2 GLU 641.A O no hydrogen 3.575 N/A SER 643.A OG ASP 701.A OD2 no hydrogen 2.671 N/A ASP 646.A N ASP 646.A OD2 no hydrogen 2.220 N/A LEU 649.A N ASP 646.A O no hydrogen 2.670 N/A LEU 650.A N GLU 647.A O no hydrogen 2.864 N/A SER 651.A N LYS 648.A O no hydrogen 3.434 N/A SER 651.A OG LYS 648.A O no hydrogen 3.297 N/A VAL 652.A N LEU 649.A O no hydrogen 3.291 N/A PHE 653.A N LEU 650.A O no hydrogen 3.199 N/A TYR 659.A N PHE 653.A O no hydrogen 3.316 N/A GLY 662.A N ASP 636.A O no hydrogen 2.716 N/A ILE 663.A N ILE 695.A O no hydrogen 2.828 N/A GLY 664.A N ILE 638.A O no hydrogen 2.838 N/A GLY 666.A N ILE 640.A O no hydrogen 3.211 N/A VAL 667.A N ASN 699.A O no hydrogen 3.186 N/A HIS 671.A N ASP 669.A OD1 no hydrogen 3.128 N/A ARG 674.A N SER 672.A OG no hydrogen 3.390 N/A SER 677.A OG GLU 680.A OE2 no hydrogen 3.151 N/A SER 678.A OG ASN 718.A O no hydrogen 3.343 N/A SER 678.A OG ASN 718.A OD1 no hydrogen 3.223 N/A GLU 680.A N SER 677.A OG no hydrogen 3.399 N/A ILE 681.A N SER 677.A O no hydrogen 2.884 N/A ALA 682.A N SER 678.A O no hydrogen 2.912 N/A ASP 683.A N GLU 679.A O no hydrogen 2.985 N/A ARG 684.A N GLU 680.A O no hydrogen 2.830 N/A VAL 685.A N ILE 681.A O no hydrogen 2.998 N/A ASN 686.A N ALA 682.A O no hydrogen 3.093 N/A ASN 686.A N ASP 683.A O no hydrogen 3.232 N/A LYS 687.A N ASP 683.A O no hydrogen 3.087 N/A LYS 687.A NZ ASP 683.A OD1 no hydrogen 3.269 N/A LYS 687.A NZ ASP 683.A OD2 no hydrogen 2.661 N/A ALA 689.A N ASN 686.A O no hydrogen 2.955 N/A ALA 689.A N LYS 687.A O no hydrogen 3.268 N/A GLN 693.A NE2 GLN 693.A O no hydrogen 2.762 N/A ILE 695.A N GLU 692.A O no hydrogen 3.218 N/A TRP 697.A N ILE 663.A O no hydrogen 2.997 N/A VAL 698.A N PRO 424.A O no hydrogen 2.936 N/A ASN 699.A ND2 GLY 664.A O no hydrogen 3.219 N/A ASN 699.A ND2 PRO 700.A O no hydrogen 2.948 N/A ASP 701.A N TYR 668.A O no hydrogen 2.982 N/A CYS 702.A SG HIS 619.A NE2 no hydrogen 3.656 N/A LEU 704.A N SER 430.A O no hydrogen 2.980 N/A LEU 704.A N SER 430.A OG no hydrogen 3.216 N/A LYS 705.A N SER 430.A OG no hydrogen 3.108 N/A LYS 705.A NZ ASN 472.A O no hydrogen 3.062 N/A ARG 707.A N LEU 704.A O no hydrogen 2.915 N/A ARG 707.A NH1 ILE 670.A O no hydrogen 2.774 N/A TYR 709.A OH PRO 432.A O no hydrogen 2.979 N/A GLU 711.A N LYS 708.A O no hydrogen 2.585 N/A VAL 712.A N LYS 708.A O no hydrogen 3.057 N/A LYS 713.A N TYR 709.A O no hydrogen 2.998 N/A LEU 716.A N VAL 712.A O no hydrogen 2.737 N/A LYS 717.A N LYS 713.A O no hydrogen 3.113 N/A ASN 718.A N PRO 714.A O no hydrogen 3.109 N/A ASN 718.A N ALA 715.A O no hydrogen 3.074 N/A ASN 718.A ND2 PRO 676.A O no hydrogen 2.759 N/A ASP 720.A N LYS 717.A O no hydrogen 3.181 N/A ALA 721.A N ASN 718.A O no hydrogen 3.013 N/A LYS 723.A N VAL 719.A O no hydrogen 2.765 N/A LYS 723.A NZ ASP 460.A OD1 no hydrogen 3.046 N/A LEU 724.A N ASP 720.A O no hydrogen 2.824 N/A ILE 725.A N ALA 721.A O no hydrogen 2.912 N/A ARG 726.A N ALA 722.A O no hydrogen 2.727 N/A ARG 726.A NH2 LEU 423.A O no hydrogen 2.913 N/A ARG 726.A NH2 ASP 462.A OD2 no hydrogen 2.681 N/A SER 727.A N LYS 723.A O no hydrogen 3.132 N/A SER 727.A OG LEU 724.A O no hydrogen 2.472 N/A GLN 728.A N LEU 724.A O no hydrogen 3.180 N/A