Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5itd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PRO 1.A N GLU 75.A O no hydrogen 3.107 N/A PRO 1.A N GLU 126.A OE2 no hydrogen 2.592 N/A ARG 3.A NE GLN 74.A OE1 no hydrogen 2.751 N/A ARG 3.A NH2 GLY 7.A O no hydrogen 2.867 N/A SER 6.A OG GLU 654.A OE1 no hydrogen 2.966 N/A GLU 8.A N HIS 13.A O no hydrogen 2.938 N/A LEU 9.A N ILE 12.A O no hydrogen 3.135 N/A TRP 10.A N PHE 94.A O no hydrogen 3.047 N/A HIS 13.A ND1 GLU 666.A OE1 no hydrogen 2.783 N/A MET 15.A N GLU 8.A OE1 no hydrogen 3.109 N/A ILE 19.A N CYS 35.A O no hydrogen 2.781 N/A VAL 21.A N LEU 33.A O no hydrogen 2.764 N/A GLU 22.A N PRO 96.A O no hydrogen 3.191 N/A CYS 23.A N VAL 31.A O no hydrogen 2.759 N/A CYS 23.A SG VAL 21.A O no hydrogen 3.629 N/A LEU 24.A N LEU 98.A O no hydrogen 2.804 N/A LEU 25.A N MET 29.A O no hydrogen 2.787 N/A ASN 27.A ND2 LEU 57.A O no hydrogen 3.176 N/A GLY 28.A N LEU 25.A O no hydrogen 3.234 N/A MET 29.A N ASN 27.A OD1 no hydrogen 2.985 N/A VAL 31.A N CYS 23.A O no hydrogen 3.116 N/A THR 32.A OG1 GLU 22.A OE1 no hydrogen 2.837 N/A LEU 33.A N VAL 21.A O no hydrogen 3.067 N/A CYS 35.A N ILE 19.A O no hydrogen 2.730 N/A CYS 35.A SG LEU 33.A O no hydrogen 3.817 N/A ARG 37.A N PRO 17.A O no hydrogen 2.908 N/A ARG 37.A NE GLU 8.A OE1 no hydrogen 3.168 N/A ARG 37.A NH1 ASP 687.A OD1 no hydrogen 2.851 N/A ARG 37.A NH2 GLU 8.A OE1 no hydrogen 2.913 N/A ARG 37.A NH2 GLU 8.A OE2 no hydrogen 2.863 N/A ARG 37.A NH2 ASP 687.A OD2 no hydrogen 3.301 N/A ALA 39.A N LEU 36.A O no hydrogen 2.785 N/A THR 40.A OG1 THR 43.A OG1 no hydrogen 3.302 N/A LEU 41.A N ARG 86.A O no hydrogen 3.015 N/A THR 43.A OG1 THR 40.A OG1 no hydrogen 3.302 N/A ILE 44.A N THR 40.A O no hydrogen 3.100 N/A LYS 45.A N LEU 41.A O no hydrogen 2.927 N/A LYS 45.A NZ GLU 64.A O no hydrogen 2.841 N/A LYS 45.A NZ TYR 67.A O no hydrogen 2.779 N/A LYS 45.A NZ GLU 84.A OE1 no hydrogen 2.974 N/A LYS 45.A NZ GLU 84.A OE2 no hydrogen 3.310 N/A HIS 46.A N ILE 42.A O no hydrogen 3.154 N/A HIS 46.A ND1 GLU 64.A OE2 no hydrogen 2.774 N/A GLU 47.A N THR 43.A O no hydrogen 2.885 N/A LEU 48.A N ILE 44.A O no hydrogen 2.804 N/A PHE 49.A N LYS 45.A O no hydrogen 3.059 N/A LYS 50.A N HIS 46.A O no hydrogen 3.161 N/A LYS 50.A NZ GLU 47.A OE1 no hydrogen 3.438 N/A LYS 50.A NZ GLU 47.A OE2 no hydrogen 3.359 N/A GLU 51.A N GLU 47.A O no hydrogen 3.125 N/A ALA 52.A N LEU 48.A O no hydrogen 2.772 N/A LYS 54.A N GLU 51.A O no hydrogen 2.808 N/A LYS 54.A NZ GLU 51.A OE2 no hydrogen 3.204 N/A TYR 55.A N ALA 52.A O no hydrogen 3.073 N/A LEU 60.A N LEU 57.A O no hydrogen 2.871 N/A LEU 61.A N HIS 58.A O no hydrogen 2.881 N/A GLN 62.A N TYR 67.A OH no hydrogen 3.003 N/A GLN 62.A NE2 GLU 102.A OE1 no hydrogen 3.255 N/A GLN 62.A NE2 GLU 102.A OE2 no hydrogen 3.356 N/A SER 66.A N ASP 63.A O no hydrogen 2.987 N/A TYR 67.A N GLU 64.A O no hydrogen 3.009 N/A ILE 68.A N ILE 101.A O no hydrogen 3.029 N/A VAL 70.A N LYS 99.A O no hydrogen 2.853 N/A SER 71.A N GLU 79.A O no hydrogen 3.058 N/A SER 71.A OG PHE 97.A O no hydrogen 2.744 N/A THR 73.A N GLU 77.A O no hydrogen 2.868 N/A THR 73.A OG1 GLU 77.A O no hydrogen 3.408 N/A GLN 74.A N ARG 92.A O no hydrogen 2.802 N/A GLN 74.A NE2 GLY 7.A O no hydrogen 3.127 N/A GLN 74.A NE2 LEU 93.A O no hydrogen 3.555 N/A ALA 76.A N THR 73.A O no hydrogen 2.807 N/A GLU 79.A N SER 71.A O no hydrogen 2.877 N/A PHE 81.A N PHE 69.A O no hydrogen 2.849 N/A THR 85.A N ASP 83.A OD1 no hydrogen 3.316 N/A THR 85.A OG1 ASP 83.A OD1 no hydrogen 2.618 N/A ARG 86.A N ASP 83.A O no hydrogen 3.258 N/A ARG 86.A NH1 GLU 79.A OE2 no hydrogen 3.090 N/A ARG 86.A NH2 ASP 90.A O no hydrogen 3.419 N/A ARG 87.A NE ASP 690.A OD2 no hydrogen 3.383 N/A ARG 87.A NH1 GLU 38.A O no hydrogen 3.151 N/A ARG 87.A NH2 ASP 690.A OD2 no hydrogen 2.822 N/A LEU 88.A N ALA 39.A O no hydrogen 2.839 N/A CYS 89.A N ARG 37.A O no hydrogen 2.923 N/A CYS 89.A SG ASP 90.A OD1 no hydrogen 3.606 N/A ASP 90.A N ARG 87.A O no hydrogen 2.902 N/A LEU 91.A N LEU 88.A O no hydrogen 3.478 N/A ARG 92.A NH2 GLU 75.A OE2 no hydrogen 3.326 N/A PHE 94.A N VAL 72.A O no hydrogen 3.060 N/A GLN 95.A NE2 PHE 94.A O no hydrogen 3.120 N/A LEU 98.A N GLU 22.A O no hydrogen 2.753 N/A LYS 99.A N VAL 70.A O no hydrogen 2.855 N/A VAL 100.A N LEU 24.A O no hydrogen 2.961 N/A ILE 101.A N ILE 68.A O no hydrogen 3.032 N/A GLU 109.A N ASN 106.A OD1 no hydrogen 3.336 N/A LYS 110.A N ASN 106.A O no hydrogen 2.964 N/A LYS 110.A NZ GLU 80.A OE1 no hydrogen 3.518 N/A LYS 110.A NZ GLU 80.A OE2 no hydrogen 3.399 N/A LYS 110.A NZ VAL 104.A O no hydrogen 2.998 N/A ILE 111.A N ARG 107.A O no hydrogen 2.839 N/A LEU 112.A N GLU 108.A O no hydrogen 3.094 N/A ASN 113.A N GLU 109.A O no hydrogen 2.807 N/A ASN 113.A ND2 GLU 109.A O no hydrogen 2.829 N/A ASN 113.A ND2 GLU 109.A OE2 no hydrogen 3.524 N/A ARG 114.A N LYS 110.A O no hydrogen 2.997 N/A GLU 115.A N ILE 111.A O no hydrogen 3.049 N/A ILE 116.A N LEU 112.A O no hydrogen 2.773 N/A GLY 117.A N ASN 113.A O no hydrogen 2.921 N/A PHE 118.A N ARG 114.A O no hydrogen 3.044 N/A PHE 118.A N GLU 115.A O no hydrogen 3.275 N/A ALA 119.A N GLU 115.A O no hydrogen 3.214 N/A ILE 120.A N ILE 116.A O no hydrogen 3.149 N/A CYS 125.A SG GLU 77.A OE2 no hydrogen 3.860 N/A GLU 126.A N PRO 123.A O no hydrogen 2.883 N/A PHE 127.A N VAL 124.A O no hydrogen 2.877 N/A VAL 130.A N PHE 127.A O no hydrogen 2.951 N/A GLU 134.A N ASP 132.A OD1 no hydrogen 3.265 N/A GLN 136.A N ASP 132.A O no hydrogen 3.312 N/A GLN 136.A NE2 PHE 127.A O no hydrogen 2.748 N/A GLN 136.A NE2 VAL 130.A O no hydrogen 2.831 N/A ASP 137.A N PRO 133.A O no hydrogen 2.915 N/A PHE 138.A N GLU 134.A O no hydrogen 2.804 N/A ARG 139.A N VAL 135.A O no hydrogen 2.970 N/A ARG 139.A NH1 GLU 633.A OE1 no hydrogen 3.238 N/A ARG 140.A N GLN 136.A O no hydrogen 3.108 N/A ASN 141.A N ASP 137.A O no hydrogen 2.742 N/A ILE 142.A N PHE 138.A O no hydrogen 3.058 N/A LEU 143.A N ARG 140.A O no hydrogen 3.380 N/A ASN 144.A N ASN 141.A O no hydrogen 3.362 N/A CYS 146.A N ILE 142.A O no hydrogen 3.365 N/A CYS 146.A SG ILE 142.A O no hydrogen 3.651 N/A CYS 146.A SG SER 634.A O no hydrogen 3.545 N/A LYS 147.A N LEU 143.A O no hydrogen 2.875 N/A GLU 148.A N ASN 144.A O no hydrogen 2.778 N/A ALA 149.A N VAL 145.A O no hydrogen 2.972 N/A VAL 150.A N CYS 146.A O no hydrogen 3.171 N/A ASP 151.A N LYS 147.A O no hydrogen 3.152 N/A LEU 152.A N GLU 148.A O no hydrogen 3.117 N/A ARG 153.A NH1 ALA 638.A O no hydrogen 3.446 N/A ARG 153.A NH2 LEU 602.A O no hydrogen 3.250 N/A ARG 153.A NH2 ALA 638.A O no hydrogen 2.807 N/A ASP 154.A N ASP 151.A O no hydrogen 3.046 N/A LEU 155.A N LEU 152.A O no hydrogen 3.401 N/A ASN 156.A N SER 160.A OG no hydrogen 3.276 N/A SER 157.A OG ARG 153.A O no hydrogen 3.399 N/A SER 157.A OG ASP 154.A OD1 no hydrogen 2.702 N/A SER 160.A N ASN 156.A O no hydrogen 2.812 N/A SER 160.A OG ARG 153.A O no hydrogen 2.626 N/A ARG 161.A NH2 LEU 279.A O no hydrogen 2.790 N/A ALA 162.A N PRO 158.A O no hydrogen 2.868 N/A MET 163.A N HIS 159.A O no hydrogen 2.769 N/A TYR 164.A OH CYS 639.A O no hydrogen 2.710 N/A VAL 165.A N ARG 161.A O no hydrogen 3.321 N/A TYR 166.A N ALA 162.A O no hydrogen 2.789 N/A GLU 171.A N GLN 251.A O no hydrogen 2.853 N/A SER 172.A OG THR 568.A OG1 no hydrogen 2.622 N/A SER 172.A OG ASP 570.A OD1 no hydrogen 2.588 N/A GLU 175.A N SER 173.A OG no hydrogen 3.290 N/A HIS 179.A NE2 GLN 769.A OE1 no hydrogen 3.042 N/A ILE 180.A N PRO 177.A O no hydrogen 3.231 N/A TYR 181.A N PRO 177.A O no hydrogen 2.891 N/A ASN 182.A N LYS 178.A O no hydrogen 2.829 N/A LYS 183.A N ILE 180.A O no hydrogen 3.379 N/A LEU 184.A N TYR 181.A O no hydrogen 3.060 N/A ASP 185.A N GLN 188.A O no hydrogen 3.228 N/A GLN 188.A N ASP 185.A O no hydrogen 3.277 N/A GLN 188.A NE2 ASN 211.A OD1 no hydrogen 3.478 N/A ILE 189.A N ILE 210.A O no hydrogen 2.724 N/A VAL 191.A N LEU 208.A O no hydrogen 2.837 N/A VAL 192.A N PRO 265.A O no hydrogen 2.938 N/A ILE 193.A N TYR 206.A O no hydrogen 2.863 N/A TRP 194.A N LEU 267.A O no hydrogen 2.793 N/A TRP 194.A NE1 ASN 266.A OD1 no hydrogen 3.214 N/A VAL 195.A N GLN 204.A O no hydrogen 2.990 N/A VAL 197.A N ASP 202.A O no hydrogen 2.859 N/A ASP 202.A N VAL 197.A O no hydrogen 3.171 N/A GLN 204.A N VAL 195.A O no hydrogen 2.932 N/A LYS 205.A N GLN 204.A OE1 no hydrogen 3.120 N/A LEU 208.A N VAL 191.A O no hydrogen 2.803 N/A LYS 209.A NZ ASP 185.A OD2 no hydrogen 2.814 N/A ILE 210.A N ILE 189.A O no hydrogen 3.075 N/A HIS 212.A N GLY 187.A O no hydrogen 3.229 N/A HIS 212.A ND1 SER 250.A OG no hydrogen 3.181 N/A CYS 214.A N ASN 211.A O no hydrogen 3.053 N/A VAL 215.A N GLN 218.A OE1 no hydrogen 2.893 N/A GLN 218.A N VAL 215.A O no hydrogen 2.888 N/A VAL 219.A N VAL 215.A O no hydrogen 3.421 N/A VAL 219.A N PRO 216.A O no hydrogen 3.149 N/A ILE 220.A N PRO 216.A O no hydrogen 3.210 N/A ALA 221.A N GLU 217.A O no hydrogen 3.137 N/A GLU 222.A N GLN 218.A O no hydrogen 3.157 N/A ALA 223.A N VAL 219.A O no hydrogen 3.039 N/A ILE 224.A N ILE 220.A O no hydrogen 2.914 N/A ARG 225.A N ALA 221.A O no hydrogen 3.107 N/A LYS 226.A N GLU 222.A O no hydrogen 2.785 N/A ILE 233.A N MET 270.A O no hydrogen 3.070 N/A LYS 235.A N MET 268.A O no hydrogen 2.895 N/A LYS 235.A NZ VAL 236.A O no hydrogen 3.253 N/A LYS 235.A NZ ASP 731.A OD2 no hydrogen 3.270 N/A VAL 236.A N GLU 241.A O no hydrogen 2.811 N/A CYS 237.A N ASN 266.A O no hydrogen 3.161 N/A CYS 237.A SG ASN 266.A O no hydrogen 3.317 N/A GLY 238.A N ASP 731.A OD2 no hydrogen 3.199 N/A ASP 240.A N ALA 702.A O no hydrogen 2.813 N/A PHE 243.A N LEU 234.A O no hydrogen 2.992 N/A LYS 246.A N GLU 245.A OE1 no hydrogen 3.034 N/A LYS 246.A NZ GLU 245.A OE1 no hydrogen 3.050 N/A LEU 249.A N CYS 214.A O no hydrogen 2.887 N/A SER 250.A N HIS 212.A O no hydrogen 2.861 N/A SER 250.A OG HIS 212.A ND1 no hydrogen 3.181 N/A GLN 251.A N PRO 248.A O no hydrogen 2.935 N/A GLN 251.A NE2 GLU 171.A O no hydrogen 2.791 N/A TYR 252.A N LEU 249.A O no hydrogen 3.042 N/A TYR 252.A OH GLU 245.A O no hydrogen 2.946 N/A LYS 253.A N ASN 169.A O no hydrogen 2.905 N/A ARG 256.A N TYR 252.A O no hydrogen 2.927 N/A ARG 256.A NE SER 250.A O no hydrogen 2.790 N/A ARG 256.A NH2 SER 173.A O no hydrogen 2.755 N/A SER 257.A N LYS 253.A O no hydrogen 3.032 N/A CYS 258.A N TYR 254.A O no hydrogen 3.241 N/A CYS 258.A SG TYR 254.A O no hydrogen 3.337 N/A ILE 259.A N ILE 255.A O no hydrogen 2.970 N/A MET 260.A N ARG 256.A O no hydrogen 3.134 N/A LEU 261.A N SER 257.A O no hydrogen 2.840 N/A GLY 262.A N ILE 259.A O no hydrogen 3.294 N/A ARG 263.A N CYS 258.A O no hydrogen 3.162 N/A ASN 266.A N TYR 254.A OH no hydrogen 2.970 N/A LEU 267.A N VAL 192.A O no hydrogen 2.832 N/A MET 268.A N LYS 235.A O no hydrogen 2.779 N/A LEU 269.A N TRP 194.A O no hydrogen 2.807 N/A MET 270.A N ILE 233.A O no hydrogen 3.425 N/A LYS 272.A N LYS 231.A O no hydrogen 2.872 N/A LYS 272.A NZ TYR 276.A OH no hydrogen 2.934 N/A SER 274.A OG ALA 271.A O no hydrogen 2.712 N/A LEU 275.A N LYS 272.A O no hydrogen 3.252 N/A TYR 276.A N LYS 272.A O no hydrogen 2.869 N/A SER 277.A N GLU 273.A O no hydrogen 3.035 N/A SER 277.A OG GLU 273.A O no hydrogen 2.749 N/A GLN 278.A N LEU 275.A O no hydrogen 3.051 N/A GLN 278.A NE2 SER 274.A O no hydrogen 3.131 N/A CYS 283.A SG MET 281.A O no hydrogen 3.765 N/A SER 288.A N GLU 109.A OE2 no hydrogen 3.083 N/A SER 290.A OG PRO 287.A O no hydrogen 2.702 N/A ARG 291.A N SER 288.A O no hydrogen 2.970 N/A ARG 292.A N SER 288.A O no hydrogen 3.258 N/A LYS 296.A N VAL 454.A O no hydrogen 3.179 N/A LEU 298.A N LYS 456.A O no hydrogen 2.946 N/A VAL 300.A N SER 297.A O no hydrogen 2.820 N/A ILE 301.A N LEU 298.A O no hydrogen 3.231 N/A SER 303.A OG ALA 304.A O no hydrogen 3.526 N/A LEU 305.A N ILE 362.A O no hydrogen 2.764 N/A ARG 306.A NE ASP 449.A OD1 no hydrogen 2.920 N/A ARG 306.A NE ASP 449.A OD2 no hydrogen 3.337 N/A ARG 306.A NH2 ASP 449.A OD1 no hydrogen 2.891 N/A ILE 307.A N LEU 358.A O no hydrogen 3.003 N/A LYS 308.A N GLU 447.A O no hydrogen 2.867 N/A ILE 309.A N GLU 356.A O no hydrogen 2.847 N/A LEU 310.A N GLU 445.A O no hydrogen 3.142 N/A ALA 312.A N PRO 352.A O no hydrogen 3.163 N/A THR 313.A N CYS 443.A O no hydrogen 2.870 N/A ARG 320.A NE ASN 318.A OD1 no hydrogen 3.301 N/A ASP 321.A N ASN 318.A O no hydrogen 2.903 N/A ILE 322.A N ASN 318.A O no hydrogen 3.282 N/A ASP 323.A N VAL 380.A O no hydrogen 3.076 N/A LYS 324.A N VAL 380.A O no hydrogen 3.285 N/A ILE 325.A N VAL 347.A O no hydrogen 2.886 N/A TYR 326.A N CYS 378.A O no hydrogen 2.997 N/A TYR 326.A OH HIS 390.A ND1 no hydrogen 2.758 N/A VAL 327.A N THR 344.A OG1 no hydrogen 2.941 N/A ARG 328.A N SER 376.A O no hydrogen 2.805 N/A ARG 328.A NH1 ASN 343.A OD1 no hydrogen 2.911 N/A THR 329.A N VAL 342.A O no hydrogen 3.183 N/A THR 329.A OG1 VAL 342.A O no hydrogen 2.704 N/A THR 329.A OG1 TYR 360.A OH no hydrogen 2.696 N/A TYR 332.A N ARG 372.A O no hydrogen 2.839 N/A TYR 332.A OH ASN 341.A OD1 no hydrogen 3.414 N/A HIS 333.A N GLU 336.A O no hydrogen 2.857 N/A GLU 336.A N HIS 333.A O no hydrogen 3.434 N/A LEU 338.A N ILE 331.A O no hydrogen 2.716 N/A VAL 342.A N THR 329.A O no hydrogen 3.147 N/A THR 344.A N VAL 327.A O no hydrogen 3.095 N/A GLN 345.A N GLU 356.A OE1 no hydrogen 2.816 N/A ARG 346.A NH1 GLU 388.A OE1 no hydrogen 3.041 N/A ARG 346.A NH1 GLU 388.A OE2 no hydrogen 3.307 N/A ARG 346.A NH2 GLU 388.A OE2 no hydrogen 2.802 N/A VAL 347.A N ILE 325.A O no hydrogen 2.939 N/A CYS 349.A SG ILE 322.A O no hydrogen 3.681 N/A ASN 351.A N PRO 348.A O no hydrogen 3.117 N/A TRP 354.A N LEU 310.A O no hydrogen 2.842 N/A ASN 355.A N LEU 310.A O no hydrogen 3.121 N/A GLU 356.A N ILE 309.A O no hydrogen 2.934 N/A LEU 358.A N ILE 307.A O no hydrogen 2.801 N/A TYR 360.A N LEU 305.A O no hydrogen 2.798 N/A TYR 360.A OH THR 329.A OG1 no hydrogen 2.696 N/A ILE 362.A N TYR 360.A O no hydrogen 2.781 N/A TYR 363.A OH ASN 302.A OD1 no hydrogen 2.735 N/A ILE 364.A N SER 303.A O no hydrogen 2.997 N/A ASP 366.A N TYR 363.A O no hydrogen 2.945 N/A LEU 367.A N ILE 364.A O no hydrogen 3.177 N/A ARG 369.A NE ASP 405.A OD1 no hydrogen 2.889 N/A ARG 369.A NH1 ARG 369.A O no hydrogen 3.111 N/A ARG 369.A NH1 TYR 588.A OH no hydrogen 2.844 N/A ARG 369.A NH2 ASP 402.A O no hydrogen 3.060 N/A ARG 369.A NH2 ASP 405.A OD1 no hydrogen 3.168 N/A ALA 371.A N PRO 368.A O no hydrogen 3.279 N/A ARG 372.A N TYR 332.A O no hydrogen 2.931 N/A ARG 372.A NH1 PRO 429.A O no hydrogen 3.067 N/A ARG 372.A NH2 GLY 334.A O no hydrogen 2.873 N/A ARG 372.A NH2 PRO 429.A O no hydrogen 2.791 N/A LEU 373.A N ILE 398.A O no hydrogen 2.867 N/A CYS 374.A N GLY 330.A O no hydrogen 2.882 N/A LEU 375.A N GLY 396.A O no hydrogen 3.041 N/A SER 376.A N ARG 328.A O no hydrogen 2.844 N/A SER 376.A OG LEU 426.A O no hydrogen 2.901 N/A ILE 377.A N ALA 394.A O no hydrogen 2.956 N/A CYS 378.A N TYR 326.A O no hydrogen 2.834 N/A CYS 378.A SG SER 376.A OG no hydrogen 3.445 N/A SER 379.A N CYS 391.A O no hydrogen 2.844 N/A SER 379.A OG CYS 391.A O no hydrogen 3.440 N/A VAL 380.A N LYS 324.A O no hydrogen 2.976 N/A LYS 381.A N GLU 389.A O no hydrogen 2.933 N/A ARG 383.A N LYS 381.A O no hydrogen 2.988 N/A HIS 390.A ND1 TYR 326.A OH no hydrogen 2.758 N/A CYS 391.A N SER 379.A O no hydrogen 2.977 N/A LEU 393.A N ILE 377.A O no hydrogen 2.767 N/A TRP 395.A N TRP 417.A O no hydrogen 3.134 N/A TRP 395.A NE1 PRO 418.A O no hydrogen 2.806 N/A GLY 396.A N LEU 375.A O no hydrogen 3.191 N/A ASN 397.A ND2 ASN 428.A O no hydrogen 2.787 N/A ASN 397.A ND2 GLY 431.A O no hydrogen 3.218 N/A ILE 398.A N LEU 373.A O no hydrogen 2.882 N/A ASN 399.A ND2 GLN 587.A O no hydrogen 2.913 N/A LEU 400.A N ALA 371.A O no hydrogen 3.314 N/A ASP 402.A N THR 406.A O no hydrogen 2.860 N/A THR 404.A N ASP 402.A OD1 no hydrogen 3.092 N/A THR 404.A OG1 ASP 402.A OD1 no hydrogen 2.650 N/A THR 404.A OG1 THR 406.A OG1 no hydrogen 3.297 N/A ASP 405.A N ASP 402.A O no hydrogen 2.868 N/A THR 406.A N ASP 402.A OD1 no hydrogen 3.341 N/A THR 406.A OG1 ASP 402.A OD1 no hydrogen 3.430 N/A THR 406.A OG1 THR 404.A OG1 no hydrogen 3.297 N/A LEU 407.A N VAL 455.A O no hydrogen 3.026 N/A VAL 408.A N LEU 400.A O no hydrogen 2.798 N/A GLY 410.A N PHE 448.A O no hydrogen 2.964 N/A MET 412.A N LEU 446.A O no hydrogen 2.870 N/A LEU 414.A N LEU 444.A O no hydrogen 2.948 N/A ASN 415.A N SER 435.A OG no hydrogen 3.037 N/A ASN 415.A ND2 THR 441.A O no hydrogen 3.572 N/A ASN 415.A ND2 THR 441.A OG1 no hydrogen 3.071 N/A LEU 416.A N PRO 442.A O no hydrogen 3.017 N/A TRP 417.A N TRP 395.A O no hydrogen 2.846 N/A TRP 417.A NE1 GLY 434.A O no hydrogen 3.145 N/A LEU 423.A N PRO 420.A O no hydrogen 3.008 N/A GLY 431.A N ASN 428.A O no hydrogen 3.010 N/A GLY 434.A N ASN 397.A O no hydrogen 2.758 N/A ASN 436.A N ASN 415.A O no hydrogen 2.860 N/A ASN 436.A ND2 LEU 416.A O no hydrogen 3.210 N/A ASN 438.A N ASN 436.A OD1 no hydrogen 2.832 N/A LYS 439.A NZ ASN 415.A OD1 no hydrogen 2.880 N/A LYS 439.A NZ ASN 436.A O no hydrogen 2.901 N/A GLU 440.A N ASN 438.A OD1 no hydrogen 3.070 N/A THR 441.A OG1 ASN 438.A O no hydrogen 2.703 N/A CYS 443.A N THR 313.A OG1 no hydrogen 3.001 N/A LEU 444.A N LEU 414.A O no hydrogen 2.791 N/A GLU 445.A N CYS 311.A O no hydrogen 2.795 N/A LEU 446.A N MET 412.A O no hydrogen 2.713 N/A GLU 447.A N LYS 308.A O no hydrogen 2.990 N/A PHE 448.A N GLY 410.A O no hydrogen 2.990 N/A SER 452.A OG PHE 451.A O no hydrogen 2.796 N/A SER 453.A OG SER 294.A O no hydrogen 2.728 N/A VAL 454.A N SER 294.A O no hydrogen 3.028 N/A LYS 456.A N LYS 296.A O no hydrogen 2.835 N/A LYS 456.A NZ THR 404.A O no hydrogen 2.778 N/A LYS 456.A NZ THR 406.A OG1 no hydrogen 3.410 N/A PHE 457.A N ASP 405.A O no hydrogen 2.809 N/A ILE 463.A N ASP 459.A O no hydrogen 2.869 N/A GLU 464.A N MET 460.A O no hydrogen 3.157 N/A GLN 474.A N ASN 470.A O no hydrogen 3.312 N/A LEU 475.A N ASP 471.A O no hydrogen 2.944 N/A LYS 476.A N LYS 472.A O no hydrogen 3.135 N/A ALA 477.A N GLN 474.A O no hydrogen 3.239 N/A ILE 478.A N GLN 474.A O no hydrogen 3.246 N/A ILE 478.A N LEU 475.A O no hydrogen 3.218 N/A SER 479.A N LEU 475.A O no hydrogen 3.034 N/A SER 479.A OG LYS 476.A O no hydrogen 3.119 N/A THR 480.A OG1 LYS 476.A O no hydrogen 3.063 N/A THR 480.A OG1 ALA 477.A O no hydrogen 2.995 N/A LEU 484.A N ASP 482.A OD2 no hydrogen 3.145 N/A SER 485.A N ASP 482.A O no hydrogen 3.195 N/A SER 485.A OG ASP 482.A O no hydrogen 2.874 N/A THR 488.A N GLU 491.A OE1 no hydrogen 2.974 N/A THR 488.A OG1 GLN 490.A OE1 no hydrogen 3.387 N/A THR 488.A OG1 GLU 491.A OE1 no hydrogen 3.070 N/A GLN 490.A N GLN 490.A OE1 no hydrogen 3.347 N/A GLU 491.A N THR 488.A O no hydrogen 2.824 N/A LYS 492.A N THR 488.A O no hydrogen 2.992 N/A LYS 492.A NZ GLU 489.A OE2 no hydrogen 2.784 N/A ASP 493.A N GLU 489.A O no hydrogen 2.913 N/A PHE 494.A N GLN 490.A O no hydrogen 2.947 N/A LEU 495.A N GLU 491.A O no hydrogen 2.770 N/A TRP 496.A N LYS 492.A O no hydrogen 2.791 N/A SER 497.A N ASP 493.A O no hydrogen 3.039 N/A SER 497.A OG ASP 493.A O no hydrogen 2.715 N/A HIS 498.A N PHE 494.A O no hydrogen 3.078 N/A HIS 498.A N LEU 495.A O no hydrogen 3.164 N/A ARG 499.A NH1 TRP 496.A O no hydrogen 2.792 N/A TYR 501.A N HIS 498.A O no hydrogen 2.810 N/A CYS 502.A N HIS 498.A O no hydrogen 3.438 N/A CYS 502.A SG HIS 498.A O no hydrogen 3.194 N/A THR 504.A N TYR 501.A O no hydrogen 3.247 N/A THR 504.A OG1 TYR 501.A O no hydrogen 2.795 N/A ILE 505.A N CYS 502.A O no hydrogen 2.852 N/A GLU 507.A N GLU 507.A OE1 no hydrogen 3.176 N/A ILE 508.A N ILE 505.A O no hydrogen 3.377 N/A LEU 509.A N PRO 506.A O no hydrogen 3.179 N/A LEU 512.A N ILE 508.A O no hydrogen 2.901 N/A LEU 513.A N LEU 509.A O no hydrogen 2.862 N/A LEU 514.A N PRO 510.A O no hydrogen 3.157 N/A SER 515.A N LEU 512.A O no hydrogen 2.896 N/A SER 515.A OG LYS 511.A O no hydrogen 2.707 N/A LYS 517.A N GLU 523.A OE2 no hydrogen 3.354 N/A TRP 518.A NE1 LEU 513.A O no hydrogen 2.841 N/A ASN 519.A ND2 LEU 338.A O no hydrogen 3.495 N/A SER 520.A N LYS 517.A O no hydrogen 3.168 N/A ARG 521.A N ASP 366.A OD1 no hydrogen 3.138 N/A ARG 521.A NH1 GLU 465.A OE1 no hydrogen 2.787 N/A VAL 524.A N SER 520.A O no hydrogen 3.420 N/A ALA 525.A N ARG 521.A O no hydrogen 3.060 N/A GLN 526.A NE2 ASP 522.A O no hydrogen 2.788 N/A MET 527.A N GLU 523.A O no hydrogen 2.905 N/A TYR 528.A N VAL 524.A O no hydrogen 2.775 N/A TYR 528.A OH ASP 552.A OD1 no hydrogen 2.977 N/A TYR 528.A OH ASP 552.A OD2 no hydrogen 2.799 N/A CYS 529.A SG ALA 525.A O no hydrogen 3.474 N/A LEU 530.A N GLN 526.A O no hydrogen 3.351 N/A VAL 531.A N MET 527.A O no hydrogen 3.116 N/A LYS 532.A N TYR 528.A O no hydrogen 3.314 N/A TRP 534.A N VAL 531.A O no hydrogen 3.296 N/A TRP 534.A NE1 PRO 506.A O no hydrogen 3.194 N/A GLN 541.A N LYS 538.A O no hydrogen 2.795 N/A ALA 542.A N LYS 538.A O no hydrogen 3.068 N/A MET 543.A N PRO 539.A O no hydrogen 3.063 N/A GLU 544.A N GLN 541.A O no hydrogen 3.193 N/A LEU 545.A N ALA 542.A O no hydrogen 2.969 N/A LEU 546.A N MET 543.A O no hydrogen 2.795 N/A ASP 547.A N GLU 544.A O no hydrogen 3.046 N/A ASN 549.A N ASP 547.A OD1 no hydrogen 2.756 N/A TYR 550.A N ASP 547.A O no hydrogen 3.338 N/A TYR 550.A OH PRO 510.A O no hydrogen 3.263 N/A TYR 550.A OH GLU 544.A OE1 no hydrogen 3.413 N/A MET 554.A N ASP 552.A OD1 no hydrogen 3.069 N/A ARG 556.A N ASP 552.A O no hydrogen 3.035 N/A ARG 556.A NH1 LEU 546.A O no hydrogen 3.006 N/A ARG 556.A NH2 LEU 546.A O no hydrogen 2.710 N/A GLY 557.A N PRO 553.A O no hydrogen 2.862 N/A PHE 558.A N MET 554.A O no hydrogen 2.983 N/A ALA 559.A N VAL 555.A O no hydrogen 3.105 N/A VAL 560.A N ARG 556.A O no hydrogen 2.911 N/A ARG 561.A N GLY 557.A O no hydrogen 3.027 N/A CYS 562.A N PHE 558.A O no hydrogen 3.083 N/A CYS 562.A SG ILE 537.A O no hydrogen 3.943 N/A CYS 562.A SG PHE 558.A O no hydrogen 3.518 N/A LEU 563.A N ALA 559.A O no hydrogen 3.303 N/A GLU 564.A N VAL 560.A O no hydrogen 2.992 N/A LYS 565.A N ARG 561.A O no hydrogen 3.368 N/A TYR 566.A N CYS 562.A O no hydrogen 2.853 N/A LEU 567.A N LEU 563.A O no hydrogen 3.209 N/A THR 568.A OG1 SER 172.A OG no hydrogen 2.622 N/A THR 568.A OG1 ASP 570.A OD1 no hydrogen 2.928 N/A LYS 571.A N THR 568.A O no hydrogen 3.213 N/A LYS 571.A N THR 568.A OG1 no hydrogen 3.426 N/A LEU 572.A N THR 568.A O no hydrogen 2.908 N/A SER 573.A N ASP 569.A O no hydrogen 2.822 N/A SER 573.A OG ASP 569.A O no hydrogen 3.029 N/A GLN 574.A N ASP 570.A O no hydrogen 2.791 N/A TYR 575.A N LYS 571.A O no hydrogen 2.903 N/A TYR 575.A OH GLU 540.A OE2 no hydrogen 2.768 N/A LEU 576.A N SER 573.A O no hydrogen 3.482 N/A GLN 578.A NE2 GLN 759.A OE1 no hydrogen 2.791 N/A GLN 578.A NE2 LEU 937.A O no hydrogen 3.615 N/A LEU 579.A N TYR 575.A O no hydrogen 3.068 N/A VAL 580.A N LEU 576.A O no hydrogen 2.910 N/A GLN 581.A N ILE 577.A O no hydrogen 3.194 N/A GLN 581.A NE2 GLU 618.A OE1 no hydrogen 2.944 N/A VAL 582.A N GLN 578.A O no hydrogen 2.976 N/A LEU 583.A N VAL 580.A O no hydrogen 3.068 N/A LYS 584.A N GLN 581.A O no hydrogen 2.980 N/A LYS 584.A NZ GLU 618.A OE1 no hydrogen 3.514 N/A LYS 584.A NZ GLU 618.A OE2 no hydrogen 3.161 N/A LYS 584.A NZ GLY 943.A O no hydrogen 3.557 N/A TYR 585.A N VAL 582.A O no hydrogen 2.946 N/A TYR 585.A OH SER 939.A O no hydrogen 3.399 N/A TYR 585.A OH MET 940.A O no hydrogen 3.159 N/A GLU 586.A N LEU 583.A O no hydrogen 3.328 N/A TYR 588.A OH PHE 401.A O no hydrogen 2.702 N/A LEU 589.A N GLU 134.A OE2 no hydrogen 2.953 N/A ASN 591.A ND2 TYR 588.A O no hydrogen 2.818 N/A VAL 594.A N ASN 591.A OD1 no hydrogen 2.838 N/A ARG 595.A N ASN 591.A O no hydrogen 3.417 N/A ARG 595.A NE ASP 590.A OD1 no hydrogen 2.733 N/A ARG 595.A NH1 ASN 141.A O no hydrogen 3.514 N/A ARG 595.A NH2 ASN 141.A O no hydrogen 3.395 N/A ARG 595.A NH2 ASP 590.A OD1 no hydrogen 3.099 N/A ARG 595.A NH2 ASP 590.A OD2 no hydrogen 2.767 N/A PHE 596.A N LEU 592.A O no hydrogen 2.991 N/A LEU 597.A N LEU 593.A O no hydrogen 2.859 N/A LEU 598.A N VAL 594.A O no hydrogen 3.044 N/A LYS 599.A N ARG 595.A O no hydrogen 3.120 N/A LYS 600.A N PHE 596.A O no hydrogen 3.032 N/A LYS 600.A NZ ASP 569.A OD1 no hydrogen 2.785 N/A ALA 601.A N LEU 597.A O no hydrogen 2.727 N/A LEU 602.A N LEU 598.A O no hydrogen 3.040 N/A THR 603.A N LYS 600.A O no hydrogen 3.160 N/A THR 603.A OG1 LYS 599.A O no hydrogen 3.065 N/A THR 603.A OG1 LYS 600.A O no hydrogen 3.405 N/A ASN 604.A ND2 ASP 569.A OD2 no hydrogen 3.037 N/A GLN 605.A N TYR 164.A O no hydrogen 3.055 N/A ARG 606.A N ASN 604.A OD1 no hydrogen 2.878 N/A ARG 606.A NH2 SER 573.A OG no hydrogen 3.354 N/A ILE 607.A N ASN 604.A OD1 no hydrogen 3.110 N/A GLY 608.A N ASN 604.A O no hydrogen 2.875 N/A HIS 609.A N GLN 605.A O no hydrogen 3.140 N/A HIS 609.A ND1 TYR 642.A OH no hydrogen 2.740 N/A HIS 609.A NE2 PRO 698.A O no hydrogen 2.748 N/A PHE 610.A N ARG 606.A O no hydrogen 3.527 N/A PHE 611.A N ILE 607.A O no hydrogen 2.843 N/A PHE 612.A N GLY 608.A O no hydrogen 2.827 N/A TRP 613.A N HIS 609.A O no hydrogen 3.163 N/A TRP 613.A NE1 GLN 649.A OE1 no hydrogen 2.852 N/A HIS 614.A N PHE 610.A O no hydrogen 2.925 N/A LEU 615.A N PHE 611.A O no hydrogen 3.200 N/A LYS 616.A N PHE 612.A O no hydrogen 2.793 N/A SER 617.A N TRP 613.A O no hydrogen 3.081 N/A SER 617.A OG TRP 613.A O no hydrogen 2.922 N/A SER 617.A OG HIS 614.A O no hydrogen 2.756 N/A GLU 618.A N LEU 615.A O no hydrogen 3.068 N/A MET 619.A N LYS 616.A O no hydrogen 3.192 N/A ASN 621.A N GLU 618.A O no hydrogen 3.159 N/A LYS 622.A NZ SER 625.A OG no hydrogen 3.030 N/A THR 623.A N ASN 621.A OD1 no hydrogen 3.169 N/A THR 623.A OG1 ASN 621.A OD1 no hydrogen 2.861 N/A VAL 624.A N ASN 621.A O no hydrogen 2.953 N/A SER 625.A N ASN 621.A O no hydrogen 2.946 N/A SER 625.A OG MET 619.A O no hydrogen 2.973 N/A SER 625.A OG ASN 621.A O no hydrogen 3.051 N/A ARG 627.A NH1 TYR 588.A O no hydrogen 3.204 N/A PHE 628.A N VAL 624.A O no hydrogen 2.840 N/A GLY 629.A N SER 625.A O no hydrogen 2.737 N/A LEU 630.A N GLN 626.A O no hydrogen 2.928 N/A LEU 631.A N ARG 627.A O no hydrogen 3.161 N/A LEU 632.A N PHE 628.A O no hydrogen 2.965 N/A GLU 633.A N GLY 629.A O no hydrogen 3.048 N/A SER 634.A N LEU 630.A O no hydrogen 3.437 N/A SER 634.A OG LEU 630.A O no hydrogen 3.516 N/A SER 634.A OG LEU 631.A O no hydrogen 2.742 N/A TYR 635.A N LEU 631.A O no hydrogen 3.089 N/A CYS 636.A N LEU 632.A O no hydrogen 2.894 N/A CYS 636.A SG LEU 632.A O no hydrogen 3.195 N/A ARG 637.A N GLU 633.A O no hydrogen 2.803 N/A ARG 637.A NH2 ASN 113.A OD1 no hydrogen 3.195 N/A ARG 637.A NH2 GLU 633.A OE2 no hydrogen 2.762 N/A ALA 638.A N SER 634.A O no hydrogen 3.246 N/A CYS 639.A SG CYS 636.A O no hydrogen 3.490 N/A CYS 639.A SG GLY 640.A O no hydrogen 3.914 N/A MET 641.A N ASP 282.A OD1 no hydrogen 2.891 N/A TYR 642.A OH HIS 609.A ND1 no hydrogen 2.740 N/A LEU 643.A N GLY 640.A O no hydrogen 3.254 N/A LYS 644.A N MET 641.A O no hydrogen 3.108 N/A LEU 646.A N TYR 642.A O no hydrogen 2.827 N/A ASN 647.A N LEU 643.A O no hydrogen 2.925 N/A ASN 647.A ND2 GLU 115.A O no hydrogen 3.155 N/A ARG 648.A N LYS 644.A O no hydrogen 3.308 N/A ARG 648.A N HIS 645.A O no hydrogen 3.180 N/A ARG 648.A NE GLY 694.A O no hydrogen 3.148 N/A ARG 648.A NH1 ASP 690.A O no hydrogen 3.457 N/A ARG 648.A NH2 ASP 690.A O no hydrogen 2.800 N/A GLN 649.A N HIS 645.A O no hydrogen 3.250 N/A GLN 649.A NE2 TYR 642.A OH no hydrogen 3.233 N/A VAL 650.A N LEU 646.A O no hydrogen 2.874 N/A GLU 651.A N ASN 647.A O no hydrogen 2.978 N/A ALA 652.A N ARG 648.A O no hydrogen 3.056 N/A MET 653.A N GLN 649.A O no hydrogen 2.826 N/A GLU 654.A N VAL 650.A O no hydrogen 2.957 N/A LYS 655.A N GLU 651.A O no hydrogen 3.113 N/A LYS 655.A NZ ASP 90.A OD1 no hydrogen 3.296 N/A LYS 655.A NZ ASP 687.A OD2 no hydrogen 3.570 N/A LEU 656.A N ALA 652.A O no hydrogen 3.161 N/A ILE 657.A N MET 653.A O no hydrogen 2.969 N/A ASN 658.A N GLU 654.A O no hydrogen 2.987 N/A ASN 658.A ND2 HIS 13.A O no hydrogen 3.363 N/A LEU 659.A N LYS 655.A O no hydrogen 2.975 N/A THR 660.A N LEU 656.A O no hydrogen 2.935 N/A THR 660.A OG1 LEU 656.A O no hydrogen 2.727 N/A THR 660.A OG1 ILE 657.A O no hydrogen 2.992 N/A ASP 661.A N ILE 657.A O no hydrogen 2.898 N/A ILE 662.A N ASN 658.A O no hydrogen 2.945 N/A LEU 663.A N LEU 659.A O no hydrogen 3.313 N/A LYS 664.A N THR 660.A O no hydrogen 2.882 N/A LYS 664.A NZ ASN 747.A OD1 no hydrogen 2.899 N/A GLN 665.A N ASP 661.A O no hydrogen 2.940 N/A GLN 665.A N ILE 662.A O no hydrogen 3.290 N/A LYS 667.A N ILE 662.A O no hydrogen 3.211 N/A LYS 668.A N GLN 665.A O no hydrogen 3.456 N/A LYS 668.A NZ ASP 669.A OD2 no hydrogen 2.817 N/A GLU 670.A N LYS 667.A O no hydrogen 3.200 N/A GLN 672.A NE2 ILE 715.A O no hydrogen 3.662 N/A GLN 675.A N THR 671.A O no hydrogen 2.985 N/A GLN 675.A NE2 LEU 663.A O no hydrogen 3.052 N/A GLN 675.A NE2 LYS 667.A O no hydrogen 2.735 N/A MET 676.A N GLN 672.A O no hydrogen 2.776 N/A LYS 677.A N LYS 673.A O no hydrogen 2.799 N/A PHE 678.A N VAL 674.A O no hydrogen 2.932 N/A LEU 679.A N GLN 675.A O no hydrogen 2.840 N/A VAL 680.A N MET 676.A O no hydrogen 2.897 N/A GLU 681.A N LYS 677.A O no hydrogen 2.973 N/A GLN 682.A N PHE 678.A O no hydrogen 2.998 N/A MET 683.A N LEU 679.A O no hydrogen 2.806 N/A ARG 684.A N VAL 680.A O no hydrogen 3.241 N/A ARG 685.A N GLN 682.A O no hydrogen 3.133 N/A ARG 685.A NE ASP 687.A OD1 no hydrogen 3.441 N/A ARG 685.A NH1 GLN 682.A OE1 no hydrogen 2.831 N/A ARG 685.A NH2 ASP 687.A OD2 no hydrogen 2.760 N/A MET 689.A N ARG 685.A O no hydrogen 2.856 N/A ASP 690.A N PRO 686.A O no hydrogen 2.881 N/A LEU 692.A N PHE 688.A O no hydrogen 3.026 N/A GLN 693.A NE2 MET 689.A O no hydrogen 3.333 N/A GLY 694.A N GLY 706.A O no hydrogen 3.292 N/A PHE 695.A N LEU 705.A O no hydrogen 3.068 N/A SER 697.A N HIS 703.A O no hydrogen 2.873 N/A LEU 699.A N SER 697.A OG no hydrogen 3.015 N/A ASN 700.A N SER 697.A O no hydrogen 3.141 N/A ASN 700.A N SER 697.A OG no hydrogen 3.320 N/A ALA 702.A N ASN 700.A OD1 no hydrogen 2.885 N/A HIS 703.A N ASN 700.A O no hydrogen 2.834 N/A GLN 704.A NE2 ASP 240.A OD1 no hydrogen 3.166 N/A GLN 704.A NE2 ASP 240.A OD2 no hydrogen 2.860 N/A LEU 705.A N PHE 695.A O no hydrogen 2.802 N/A GLY 706.A N GLU 728.A O no hydrogen 2.874 N/A LEU 708.A N GLN 693.A OE1 no hydrogen 2.784 N/A ARG 709.A N ASN 726.A O no hydrogen 2.919 N/A ARG 709.A NE GLU 711.A OE2 no hydrogen 3.502 N/A ARG 709.A NH1 GLU 728.A OE2 no hydrogen 2.801 N/A GLU 711.A N GLU 711.A OE1 no hydrogen 2.947 N/A GLU 712.A N ARG 709.A O no hydrogen 2.777 N/A CYS 713.A N LEU 710.A O no hydrogen 3.321 N/A CYS 713.A SG ARG 709.A O no hydrogen 3.793 N/A ARG 714.A N TRP 724.A O no hydrogen 3.134 N/A MET 716.A N PRO 722.A O no hydrogen 2.781 N/A ARG 721.A N SER 718.A O no hydrogen 2.906 N/A LEU 723.A N PHE 745.A O no hydrogen 3.018 N/A TRP 724.A N ARG 714.A O no hydrogen 2.728 N/A TRP 724.A NE1 GLU 742.A OE2 no hydrogen 3.041 N/A LEU 725.A N ILE 743.A O no hydrogen 2.815 N/A ASN 726.A ND2 GLU 742.A OE2 no hydrogen 3.379 N/A TRP 727.A N ASN 741.A O no hydrogen 2.889 N/A TRP 727.A NE1 LEU 692.A O no hydrogen 2.712 N/A GLU 728.A N ASN 707.A O no hydrogen 2.694 N/A ASN 729.A N GLN 739.A O no hydrogen 2.781 N/A ASN 729.A ND2 GLY 238.A O no hydrogen 2.771 N/A ASN 729.A ND2 PHE 738.A O no hydrogen 2.975 N/A MET 733.A N ASP 731.A OD2 no hydrogen 3.353 N/A SER 734.A N ASP 731.A O no hydrogen 3.195 N/A SER 734.A OG GLN 739.A OE1 no hydrogen 3.251 N/A GLU 735.A N GLU 735.A OE1 no hydrogen 2.914 N/A LEU 737.A N SER 734.A O no hydrogen 2.824 N/A PHE 738.A N SER 734.A O no hydrogen 2.944 N/A ASN 741.A N TRP 727.A O no hydrogen 2.864 N/A ILE 743.A N LEU 725.A O no hydrogen 2.848 N/A ILE 744.A N ILE 792.A O no hydrogen 2.799 N/A PHE 745.A N LEU 723.A O no hydrogen 2.821 N/A LYS 746.A N GLY 790.A O no hydrogen 2.778 N/A LYS 746.A NZ ASP 749.A OD2 no hydrogen 2.777 N/A ASN 747.A ND2 ILE 657.A O no hydrogen 3.455 N/A ASN 747.A ND2 THR 660.A OG1 no hydrogen 2.823 N/A ASN 747.A ND2 ASP 661.A OD1 no hydrogen 2.891 N/A GLY 748.A N CYS 788.A O no hydrogen 2.796 N/A ARG 752.A NE ASP 750.A OD1 no hydrogen 2.818 N/A ARG 752.A NE ASP 750.A OD2 no hydrogen 3.333 N/A ARG 752.A NH2 ASP 750.A OD2 no hydrogen 3.067 N/A MET 755.A N LEU 751.A O no hydrogen 3.017 N/A LEU 756.A N ARG 752.A O no hydrogen 2.892 N/A THR 757.A N GLN 753.A O no hydrogen 3.043 N/A THR 757.A OG1 GLN 753.A O no hydrogen 2.981 N/A LEU 758.A N ASP 754.A O no hydrogen 2.956 N/A GLN 759.A N MET 755.A O no hydrogen 3.013 N/A GLN 759.A NE2 GLN 574.A O no hydrogen 2.745 N/A GLN 759.A NE2 GLN 578.A OE1 no hydrogen 2.759 N/A ILE 760.A N LEU 756.A O no hydrogen 2.917 N/A ILE 761.A N THR 757.A O no hydrogen 2.903 N/A ARG 762.A N LEU 758.A O no hydrogen 3.231 N/A ILE 763.A N GLN 759.A O no hydrogen 3.107 N/A MET 764.A N ILE 760.A O no hydrogen 2.832 N/A GLU 765.A N ILE 761.A O no hydrogen 2.971 N/A ASN 766.A N ARG 762.A O no hydrogen 3.040 N/A ILE 767.A N ILE 763.A O no hydrogen 3.036 N/A TRP 768.A N MET 764.A O no hydrogen 2.964 N/A TRP 768.A NE1 ALA 923.A O no hydrogen 3.055 N/A GLN 769.A N GLU 765.A O no hydrogen 2.956 N/A GLN 769.A NE2 LEU 775.A O no hydrogen 3.541 N/A ASN 770.A N ASN 766.A O no hydrogen 2.970 N/A GLN 771.A N ILE 767.A O no hydrogen 2.932 N/A GLN 771.A NE2 GLN 929.A OE1 no hydrogen 3.226 N/A GLN 771.A NE2 HIS 930.A NE2 no hydrogen 3.238 N/A GLY 772.A N GLN 769.A O no hydrogen 2.991 N/A LEU 773.A N TRP 768.A O no hydrogen 2.796 N/A LEU 775.A N LEU 773.A O no hydrogen 3.110 N/A MET 777.A N GLU 765.A OE2 no hydrogen 3.028 N/A LEU 778.A N TYR 840.A OH no hydrogen 2.968 N/A TYR 780.A N LEU 778.A O no hydrogen 2.994 N/A GLY 781.A N GLU 793.A OE2 no hydrogen 3.015 N/A CYS 782.A SG LEU 791.A O no hydrogen 3.899 N/A LEU 783.A N LEU 791.A O no hydrogen 2.972 N/A ILE 785.A N VAL 789.A O no hydrogen 2.834 N/A CYS 788.A SG ASP 787.A OD1 no hydrogen 3.504 N/A GLY 790.A N LYS 746.A O no hydrogen 2.825 N/A LEU 791.A N LEU 783.A O no hydrogen 2.881 N/A ILE 792.A N ILE 744.A O no hydrogen 2.977 N/A GLU 793.A N GLY 781.A O no hydrogen 2.775 N/A VAL 794.A N GLU 742.A O no hydrogen 3.166 N/A SER 798.A OG VAL 795.A O no hydrogen 2.886 N/A HIS 799.A N VAL 859.A O no hydrogen 2.806 N/A HIS 799.A ND1 GLN 803.A OE1 no hydrogen 2.841 N/A ILE 801.A N ILE 857.A O no hydrogen 2.946 N/A MET 802.A N ASN 854.A O no hydrogen 3.056 N/A GLN 803.A N THR 800.A OG1 no hydrogen 3.321 N/A ILE 804.A N THR 800.A O no hydrogen 3.242 N/A GLN 805.A N ILE 801.A O no hydrogen 2.856 N/A CYS 806.A N MET 802.A O no hydrogen 2.818 N/A CYS 806.A SG MET 802.A O no hydrogen 3.467 N/A LYS 807.A N GLN 803.A O no hydrogen 3.294 N/A LYS 807.A N ILE 804.A O no hydrogen 3.072 N/A HIS 811.A N ASN 809.A OD1 no hydrogen 3.046 N/A THR 812.A OG1 ASN 809.A O no hydrogen 2.634 N/A HIS 814.A NE2 TYR 826.A OH no hydrogen 2.717 N/A GLN 815.A N HIS 811.A O no hydrogen 3.030 N/A TRP 816.A N THR 812.A O no hydrogen 2.907 N/A LEU 817.A N LEU 813.A O no hydrogen 2.930 N/A LYS 818.A N HIS 814.A O no hydrogen 3.014 N/A ASP 819.A N GLN 815.A O no hydrogen 2.843 N/A LYS 820.A N TRP 816.A O no hydrogen 2.975 N/A TYR 826.A OH HIS 814.A NE2 no hydrogen 2.717 N/A ALA 828.A N ILE 825.A O no hydrogen 3.232 N/A ALA 829.A N ILE 825.A O no hydrogen 3.236 N/A ILE 830.A N TYR 826.A O no hydrogen 3.163 N/A ASP 831.A N ASP 827.A O no hydrogen 3.200 N/A LEU 832.A N ALA 828.A O no hydrogen 3.010 N/A PHE 833.A N ALA 829.A O no hydrogen 2.823 N/A THR 834.A N ILE 830.A O no hydrogen 2.941 N/A THR 834.A OG1 ASP 831.A O no hydrogen 3.233 N/A ARG 835.A N ASP 831.A O no hydrogen 2.853 N/A ARG 835.A NE ASP 831.A OD1 no hydrogen 2.966 N/A ARG 835.A NE ASP 831.A OD2 no hydrogen 3.006 N/A ARG 835.A NH1 ASP 774.A O no hydrogen 3.052 N/A SER 836.A N LEU 832.A O no hydrogen 2.950 N/A SER 836.A OG LEU 832.A O no hydrogen 2.809 N/A SER 836.A OG PHE 833.A O no hydrogen 3.031 N/A CYS 837.A N PHE 833.A O no hydrogen 3.057 N/A CYS 837.A SG PHE 833.A O no hydrogen 3.401 N/A ALA 838.A N THR 834.A O no hydrogen 3.011 N/A GLY 839.A N ARG 835.A O no hydrogen 3.312 N/A TYR 840.A N SER 836.A O no hydrogen 3.063 N/A CYS 841.A N CYS 837.A O no hydrogen 2.759 N/A CYS 841.A SG PHE 890.A O no hydrogen 3.752 N/A VAL 842.A N ALA 838.A O no hydrogen 3.092 N/A ALA 843.A N GLY 839.A O no hydrogen 2.786 N/A THR 844.A N TYR 840.A O no hydrogen 3.030 N/A THR 844.A OG1 TYR 840.A O no hydrogen 2.652 N/A THR 844.A OG1 CYS 841.A O no hydrogen 3.273 N/A PHE 845.A N CYS 841.A O no hydrogen 3.155 N/A ILE 846.A N VAL 842.A O no hydrogen 2.866 N/A LEU 847.A N ALA 843.A O no hydrogen 3.016 N/A GLY 848.A N THR 844.A O no hydrogen 2.843 N/A GLY 848.A N PHE 845.A O no hydrogen 3.166 N/A ARG 852.A N PRO 889.A O no hydrogen 3.228 N/A ARG 852.A NE GLY 850.A O no hydrogen 3.106 N/A ARG 852.A NH1 ILE 868.A O no hydrogen 2.799 N/A ARG 852.A NH1 ASP 869.A O no hydrogen 3.329 N/A ARG 852.A NH2 GLY 850.A O no hydrogen 3.004 N/A ARG 852.A NH2 ASP 869.A O no hydrogen 2.958 N/A HIS 853.A N ASN 856.A OD1 no hydrogen 2.817 N/A ASN 854.A ND2 GLN 805.A OE1 no hydrogen 3.590 N/A SER 855.A N HIS 853.A ND1 no hydrogen 3.332 N/A SER 855.A OG ASN 854.A OD1 no hydrogen 3.029 N/A ASN 856.A N HIS 853.A O no hydrogen 3.137 N/A ASN 856.A ND2 ASP 851.A O no hydrogen 3.002 N/A ILE 857.A N HIS 853.A O no hydrogen 3.201 N/A MET 858.A N PHE 866.A O no hydrogen 2.768 N/A VAL 859.A N HIS 799.A O no hydrogen 2.766 N/A LYS 860.A N GLN 864.A O no hydrogen 2.861 N/A ASP 861.A N ASN 797.A O no hydrogen 2.873 N/A GLY 863.A N LYS 860.A O no hydrogen 3.324 N/A GLN 864.A N ASP 862.A OD1 no hydrogen 3.272 N/A LEU 865.A N SER 836.A OG no hydrogen 2.849 N/A PHE 866.A N MET 858.A O no hydrogen 2.853 N/A ILE 868.A N ASN 856.A O no hydrogen 2.884 N/A PHE 870.A N ASP 754.A OD1 no hydrogen 2.697 N/A HIS 872.A ND1 GLU 948.A OE2 no hydrogen 2.748 N/A PHE 873.A N GLU 948.A OE1 no hydrogen 2.719 N/A LEU 874.A N LEU 847.A O no hydrogen 2.784 N/A LYS 878.A N ASP 875.A O no hydrogen 3.311 N/A PHE 881.A N LYS 877.A O no hydrogen 3.276 N/A ARG 887.A N TYR 957.A OH no hydrogen 3.362 N/A ARG 887.A NH1 GLY 848.A O no hydrogen 3.442 N/A ARG 887.A NH2 ILE 849.A O no hydrogen 2.716 N/A LEU 892.A N HIS 983.A NE2 no hydrogen 2.867 N/A PHE 896.A N THR 893.A O no hydrogen 3.212 N/A LEU 897.A N THR 893.A O no hydrogen 3.238 N/A ILE 898.A N GLN 894.A O no hydrogen 2.938 N/A ILE 900.A N PHE 896.A O no hydrogen 3.020 N/A SER 901.A N LEU 897.A O no hydrogen 2.977 N/A SER 901.A OG LEU 897.A O no hydrogen 3.492 N/A SER 901.A OG CYS 907.A O no hydrogen 2.712 N/A SER 901.A OG THR 910.A OG1 no hydrogen 2.934 N/A LYS 902.A N VAL 899.A O no hydrogen 3.164 N/A GLY 903.A N ILE 898.A O no hydrogen 2.840 N/A CYS 907.A SG GLN 894.A OE1 no hydrogen 3.945 N/A CYS 907.A SG ALA 904.A O no hydrogen 3.572 N/A CYS 907.A SG GLN 905.A O no hydrogen 3.394 N/A THR 908.A OG1 GLU 906.A OE2 no hydrogen 3.102 N/A THR 910.A OG1 SER 901.A OG no hydrogen 2.934 N/A THR 910.A OG1 CYS 907.A O no hydrogen 2.920 N/A PHE 913.A N THR 910.A OG1 no hydrogen 3.022 N/A GLU 914.A N THR 910.A O no hydrogen 3.181 N/A ARG 915.A N ARG 911.A O no hydrogen 3.097 N/A ARG 915.A NH1 ASP 831.A OD1 no hydrogen 2.825 N/A ARG 915.A NH2 ASP 831.A OD1 no hydrogen 3.487 N/A PHE 916.A N GLU 912.A O no hydrogen 2.964 N/A GLN 917.A N PHE 913.A O no hydrogen 2.875 N/A GLU 918.A N GLU 914.A O no hydrogen 3.178 N/A MET 919.A N ARG 915.A O no hydrogen 3.018 N/A CYS 920.A N PHE 916.A O no hydrogen 3.159 N/A CYS 920.A SG PHE 916.A O no hydrogen 3.302 N/A TYR 921.A N GLN 917.A O no hydrogen 2.882 N/A TYR 921.A OH THR 988.A O no hydrogen 2.858 N/A LYS 922.A N GLU 918.A O no hydrogen 3.071 N/A ALA 923.A N MET 919.A O no hydrogen 2.877 N/A TYR 924.A N CYS 920.A O no hydrogen 2.780 N/A TYR 924.A OH THR 961.A O no hydrogen 2.635 N/A LEU 925.A N TYR 921.A O no hydrogen 3.130 N/A ALA 926.A N LYS 922.A O no hydrogen 3.126 N/A ILE 927.A N ALA 923.A O no hydrogen 3.236 N/A ARG 928.A N TYR 924.A O no hydrogen 3.106 N/A ARG 928.A NH1 LEU 962.A O no hydrogen 3.130 N/A ARG 928.A NH2 LYS 966.A O no hydrogen 3.495 N/A GLN 929.A N LEU 925.A O no hydrogen 2.849 N/A GLN 929.A NE2 GLU 968.A OE2 no hydrogen 2.989 N/A HIS 930.A N ALA 926.A O no hydrogen 3.307 N/A ALA 931.A N ARG 928.A O no hydrogen 3.276 N/A ASN 932.A ND2 ARG 481.A O no hydrogen 3.462 N/A ILE 935.A N ALA 931.A O no hydrogen 2.885 N/A ASN 936.A N ASN 932.A O no hydrogen 2.798 N/A ASN 936.A ND2 GLU 540.A O no hydrogen 3.466 N/A LEU 937.A N LEU 933.A O no hydrogen 2.807 N/A PHE 938.A N PHE 934.A O no hydrogen 3.163 N/A SER 939.A N ILE 935.A O no hydrogen 2.943 N/A SER 939.A OG ILE 935.A O no hydrogen 2.687 N/A MET 940.A N ASN 936.A O no hydrogen 2.995 N/A MET 941.A N PHE 938.A O no hydrogen 2.790 N/A LEU 942.A N SER 939.A O no hydrogen 3.422 N/A SER 944.A N MET 941.A O no hydrogen 3.198 N/A SER 944.A OG MET 941.A O no hydrogen 2.656 N/A LEU 949.A N MET 946.A O no hydrogen 3.203 N/A GLN 950.A N ASP 954.A OD2 no hydrogen 2.825 N/A GLN 950.A NE2 HIS 421.A O no hydrogen 2.856 N/A SER 951.A N ASP 954.A OD2 no hydrogen 3.248 N/A ASP 954.A N SER 951.A O no hydrogen 3.104 N/A ILE 955.A N PHE 952.A O no hydrogen 3.184 N/A ALA 956.A N PHE 952.A O no hydrogen 3.223 N/A ILE 958.A N ILE 955.A O no hydrogen 3.051 N/A ARG 959.A NE ASP 482.A OD2 no hydrogen 2.782 N/A ARG 959.A NH1 ASP 965.A OD2 no hydrogen 3.322 N/A ARG 959.A NH2 ASP 482.A OD1 no hydrogen 2.936 N/A ARG 959.A NH2 ASP 482.A OD2 no hydrogen 3.252 N/A ARG 959.A NH2 ASP 965.A OD1 no hydrogen 3.116 N/A LYS 960.A N ALA 956.A O no hydrogen 3.061 N/A THR 961.A N TYR 957.A O no hydrogen 2.971 N/A THR 961.A OG1 ILE 846.A O no hydrogen 2.797 N/A THR 961.A OG1 TYR 957.A O no hydrogen 3.422 N/A THR 961.A OG1 ILE 958.A O no hydrogen 3.215 N/A LEU 962.A N ILE 958.A O no hydrogen 2.845 N/A ALA 963.A N LYS 960.A O no hydrogen 2.918 N/A LEU 964.A N ARG 959.A O no hydrogen 3.082 N/A LYS 966.A N ALA 963.A O no hydrogen 2.847 N/A THR 967.A N GLU 970.A OE2 no hydrogen 2.940 N/A GLU 970.A N THR 967.A OG1 no hydrogen 2.942 N/A ALA 971.A N THR 967.A O no hydrogen 2.805 N/A LEU 972.A N GLU 968.A O no hydrogen 3.193 N/A GLU 973.A N GLN 969.A O no hydrogen 3.119 N/A TYR 974.A N GLU 970.A O no hydrogen 2.942 N/A TYR 974.A OH GLU 886.A OE1 no hydrogen 2.866 N/A PHE 975.A N ALA 971.A O no hydrogen 3.086 N/A MET 976.A N LEU 972.A O no hydrogen 3.097 N/A LYS 977.A N GLU 973.A O no hydrogen 3.061 N/A GLN 978.A N TYR 974.A O no hydrogen 2.983 N/A MET 979.A N PHE 975.A O no hydrogen 2.916 N/A ASN 980.A N MET 976.A O no hydrogen 2.978 N/A ASN 980.A ND2 TRP 987.A O no hydrogen 2.904 N/A ASP 981.A N LYS 977.A O no hydrogen 2.793 N/A ALA 982.A N GLN 978.A O no hydrogen 3.210 N/A HIS 983.A N MET 979.A O no hydrogen 2.877 N/A GLY 985.A N ASN 980.A O no hydrogen 3.040 N/A TRP 987.A N ASN 980.A OD1 no hydrogen 2.878 N/A THR 988.A N GLN 917.A OE1 no hydrogen 2.913 N/A