Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qyu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 ALA 1.A O no hydrogen 2.464 N/A THR 2.A OG1 ALA 31.A O no hydrogen 2.711 N/A THR 2.A OG1 ASP 32.A OD2 no hydrogen 3.432 N/A TRP 11.A N SER 7.A O no hydrogen 3.089 N/A ALA 12.A N PRO 8.A O no hydrogen 2.878 N/A LYS 13.A N ALA 9.A O no hydrogen 2.977 N/A LYS 14.A N ASP 10.A O no hydrogen 3.232 N/A LEU 15.A N TRP 11.A O no hydrogen 3.077 N/A THR 16.A N ALA 12.A O no hydrogen 3.013 N/A THR 16.A OG1 LYS 13.A O no hydrogen 2.913 N/A ASP 17.A N LYS 13.A O no hydrogen 3.041 N/A ALA 18.A N LYS 14.A O no hydrogen 3.014 N/A VAL 19.A N LEU 15.A O no hydrogen 2.876 N/A LEU 20.A N THR 16.A O no hydrogen 2.875 N/A ARG 21.A N ASP 17.A O no hydrogen 3.064 N/A ARG 21.A NE GLU 26.A OE1 no hydrogen 3.348 N/A ARG 21.A NE GLU 26.A OE2 no hydrogen 3.105 N/A ARG 21.A NH2 GLU 26.A OE2 no hydrogen 2.634 N/A GLN 22.A N ALA 18.A O no hydrogen 3.086 N/A GLN 22.A NE2 LYS 62.A O no hydrogen 2.902 N/A LYS 23.A N VAL 19.A O no hydrogen 2.953 N/A LYS 23.A NZ ASP 59.A OD2 no hydrogen 2.599 N/A ALA 24.A N LEU 20.A O no hydrogen 2.902 N/A GLY 25.A N GLN 22.A O no hydrogen 3.121 N/A GLU 26.A N ARG 21.A O no hydrogen 3.039 N/A ASP 32.A N THR 29.A OG1 no hydrogen 2.987 N/A ARG 33.A N ALA 30.A O no hydrogen 3.180 N/A ARG 33.A NE GLY 63.A O no hydrogen 2.889 N/A ARG 33.A NH1 LEU 28.A O no hydrogen 2.945 N/A ARG 33.A NH2 GLY 63.A O no hydrogen 3.049 N/A PHE 35.A N ASN 65.A O no hydrogen 2.711 N/A SER 36.A N ASP 34.A OD2 no hydrogen 3.182 N/A SER 36.A OG ASP 34.A OD2 no hydrogen 2.542 N/A ASN 37.A N SER 67.A O no hydrogen 2.895 N/A ALA 38.A N PHE 35.A O no hydrogen 3.129 N/A PHE 40.A N LYS 70.A O no hydrogen 2.754 N/A ARG 41.A N ASP 39.A OD2 no hydrogen 3.290 N/A ASN 42.A N THR 72.A O no hydrogen 3.141 N/A ILE 43.A N PHE 40.A O no hydrogen 3.302 N/A PHE 45.A N ASP 75.A O no hydrogen 3.135 N/A LYS 47.A N THR 44.A O no hydrogen 3.047 N/A ILE 48.A N PHE 45.A O no hydrogen 3.052 N/A LEU 49.A N PHE 45.A O no hydrogen 2.973 N/A SER 52.A OG ASP 59.A OD2 no hydrogen 2.537 N/A PHE 53.A N PRO 50.A O no hydrogen 2.991 N/A MET 54.A N PRO 51.A O no hydrogen 2.910 N/A ARG 56.A NE ASP 57.A OD1 no hydrogen 3.081 N/A ARG 56.A NH2 ASP 57.A OD1 no hydrogen 2.795 N/A GLY 58.A N GLU 55.A O no hydrogen 3.084 N/A ASP 59.A N SER 52.A O no hydrogen 2.864 N/A ILE 61.A N HIS 80.A O no hydrogen 2.923 N/A LYS 62.A N GLN 22.A OE1 no hydrogen 3.487 N/A LYS 62.A NZ ASP 82.A OD2 no hydrogen 3.378 N/A LYS 62.A NZ GLU 83.A OE2 no hydrogen 2.801 N/A GLY 63.A N ASP 82.A O no hydrogen 2.915 N/A ASN 65.A N ARG 33.A O no hydrogen 2.794 N/A PHE 66.A N ARG 85.A O no hydrogen 2.674 N/A SER 67.A N ASN 65.A OD1 no hydrogen 2.971 N/A SER 67.A OG ASN 65.A OD1 no hydrogen 2.641 N/A ASN 68.A N THR 87.A O no hydrogen 2.750 N/A ASN 68.A ND2 ASN 37.A OD1 no hydrogen 3.047 N/A SER 69.A N PHE 66.A O no hydrogen 3.206 N/A SER 69.A N SER 89.A OG no hydrogen 3.035 N/A SER 69.A OG PHE 66.A O no hydrogen 2.751 N/A SER 69.A OG SER 89.A OG no hydrogen 2.826 N/A LYS 70.A N ALA 38.A O no hydrogen 2.919 N/A PHE 71.A N THR 90.A O no hydrogen 2.835 N/A TYR 73.A N SER 92.A O no hydrogen 3.352 N/A SER 74.A N PHE 71.A O no hydrogen 2.940 N/A SER 74.A OG PHE 71.A O no hydrogen 2.697 N/A ASP 75.A N ILE 43.A O no hydrogen 2.845 N/A ILE 76.A N VAL 95.A O no hydrogen 2.797 N/A SER 77.A N ASP 75.A OD1 no hydrogen 3.028 N/A SER 77.A OG ASP 75.A OD1 no hydrogen 2.624 N/A HIS 78.A N SER 97.A O no hydrogen 2.808 N/A LEU 79.A N ILE 76.A O no hydrogen 3.314 N/A HIS 80.A NE2 SER 102.A OG no hydrogen 2.816 N/A PHE 81.A N LYS 100.A O no hydrogen 2.893 N/A ASP 82.A N ILE 61.A O no hydrogen 2.926 N/A GLU 83.A N SER 102.A O no hydrogen 3.038 N/A CYS 84.A N SER 104.A OG no hydrogen 3.238 N/A CYS 84.A SG ILE 61.A O no hydrogen 3.393 N/A CYS 84.A SG ASP 82.A O no hydrogen 3.453 N/A ARG 85.A N PHE 64.A O no hydrogen 2.937 N/A PHE 86.A N ASP 105.A O no hydrogen 2.738 N/A THR 87.A OG1 ASP 105.A OD2 no hydrogen 3.050 N/A TYR 88.A N ASN 107.A O no hydrogen 3.123 N/A SER 89.A N PHE 86.A O no hydrogen 2.865 N/A SER 89.A OG SER 69.A OG no hydrogen 2.826 N/A SER 89.A OG PHE 86.A O no hydrogen 2.780 N/A THR 90.A N SER 69.A O no hydrogen 2.965 N/A LEU 91.A N PHE 110.A O no hydrogen 2.789 N/A SER 92.A OG ASP 93.A OD2 no hydrogen 2.962 N/A ASP 93.A N GLN 112.A O no hydrogen 2.939 N/A VAL 94.A N LEU 91.A O no hydrogen 3.286 N/A VAL 95.A N SER 74.A O no hydrogen 2.910 N/A CYS 96.A N THR 117.A OG1 no hydrogen 3.145 N/A CYS 96.A SG VAL 94.A O no hydrogen 3.783 N/A SER 97.A N SER 77.A OG no hydrogen 3.091 N/A ASN 98.A N GLN 119.A O no hydrogen 2.978 N/A THR 99.A N CYS 96.A O no hydrogen 3.350 N/A THR 99.A OG1 ILE 76.A O no hydrogen 2.658 N/A LYS 100.A N LEU 79.A O no hydrogen 3.002 N/A PHE 101.A N SER 122.A O no hydrogen 2.962 N/A SER 102.A N PHE 81.A O no hydrogen 2.908 N/A SER 102.A OG HIS 80.A NE2 no hydrogen 2.816 N/A SER 102.A OG PHE 81.A O no hydrogen 3.465 N/A SER 102.A OG ASP 82.A OD1 no hydrogen 2.907 N/A ASN 103.A N ILE 124.A O no hydrogen 2.784 N/A ASN 103.A ND2 ASP 82.A OD1 no hydrogen 2.754 N/A SER 104.A N THR 126.A OG1 no hydrogen 3.105 N/A SER 104.A OG CYS 84.A O no hydrogen 3.461 N/A SER 104.A OG SER 102.A O no hydrogen 2.945 N/A ASP 105.A N CYS 84.A O no hydrogen 3.066 N/A MET 106.A N THR 127.A O no hydrogen 3.043 N/A ASN 107.A N ASP 105.A OD2 no hydrogen 2.964 N/A ASN 107.A ND2 THR 127.A OG1 no hydrogen 2.697 N/A GLU 108.A N LYS 129.A O no hydrogen 2.713 N/A VAL 109.A N THR 131.A OG1 no hydrogen 3.041 N/A PHE 110.A N SER 89.A O no hydrogen 3.119 N/A LEU 111.A N LEU 132.A O no hydrogen 2.625 N/A GLN 112.A NE2 GLN 170.A OE1 no hydrogen 3.074 N/A TYR 113.A OH LYS 136.A O no hydrogen 2.423 N/A SER 114.A N VAL 94.A O no hydrogen 3.187 N/A SER 114.A OG THR 116.A OG1 no hydrogen 2.725 N/A THR 116.A N SER 114.A OG no hydrogen 3.200 N/A THR 116.A OG1 SER 114.A OG no hydrogen 2.725 N/A THR 117.A N SER 114.A O no hydrogen 3.095 N/A THR 117.A OG1 SER 114.A O no hydrogen 2.885 N/A GLN 118.A N SER 97.A OG no hydrogen 2.704 N/A SER 122.A N THR 99.A O no hydrogen 2.917 N/A PHE 123.A N ASN 138.A O no hydrogen 3.073 N/A ILE 124.A N PHE 101.A O no hydrogen 2.795 N/A ASP 125.A N GLY 141.A O no hydrogen 2.692 N/A THR 126.A OG1 PHE 101.A O no hydrogen 3.047 N/A THR 126.A OG1 ILE 124.A O no hydrogen 3.032 N/A THR 127.A N SER 104.A O no hydrogen 3.204 N/A ASN 130.A N ASP 166.A O no hydrogen 2.765 N/A ASN 130.A ND2 GLU 108.A OE1 no hydrogen 3.375 N/A ASN 130.A ND2 ASP 148.A OD1 no hydrogen 2.918 N/A THR 131.A N LEU 128.A O no hydrogen 3.155 N/A THR 131.A OG1 MET 106.A O no hydrogen 2.601 N/A THR 131.A OG1 LYS 129.A O no hydrogen 3.540 N/A LEU 132.A N VAL 109.A O no hydrogen 3.193 N/A ILE 133.A N TRP 168.A O no hydrogen 3.250 N/A ARG 134.A N LEU 111.A O no hydrogen 2.987 N/A HIS 135.A NE2 GLY 182.A O no hydrogen 3.105 N/A LYS 136.A NZ GLY 182.A O no hydrogen 3.064 N/A ALA 137.A N THR 197.A OG1 no hydrogen 3.194 N/A ASN 138.A N PRO 121.A O no hydrogen 2.940 N/A LEU 139.A N SER 200.A OG no hydrogen 3.000 N/A SER 140.A N ASN 138.A OD1 no hydrogen 3.013 N/A SER 140.A OG ASN 138.A OD1 no hydrogen 3.340 N/A VAL 142.A N LEU 139.A O no hydrogen 3.223 N/A ILE 143.A N THR 126.A O no hydrogen 2.895 N/A LEU 144.A N TYR 205.A OH no hydrogen 3.057 N/A ASN 145.A N ASP 166.A OD2 no hydrogen 3.116 N/A SER 150.A N ASP 148.A OD2 no hydrogen 2.942 N/A SER 150.A OG ASP 148.A OD2 no hydrogen 2.633 N/A ILE 162.A N LEU 169.A O no hydrogen 2.879 N/A ARG 163.A NH1 ASN 130.A OD1 no hydrogen 3.008 N/A ARG 163.A NH2 ASN 130.A OD1 no hydrogen 3.216 N/A ARG 163.A NH2 ASP 148.A OD2 no hydrogen 3.317 N/A LEU 164.A N ILE 167.A O no hydrogen 2.820 N/A ILE 167.A N LEU 164.A O no hydrogen 3.193 N/A TRP 168.A N THR 131.A O no hydrogen 2.961 N/A LEU 169.A N ILE 162.A O no hydrogen 2.934 N/A GLN 170.A NE2 GLY 157.A O no hydrogen 2.792 N/A GLN 170.A NE2 GLY 159.A O no hydrogen 3.089 N/A MET 171.A N ASN 160.A O no hydrogen 2.771 N/A TRP 175.A NE1 SER 219.A OG no hydrogen 3.042 N/A ALA 179.A N THR 176.A OG1 no hydrogen 3.161 N/A VAL 180.A N THR 176.A O no hydrogen 2.834 N/A ASP 181.A N GLU 177.A O no hydrogen 3.119 N/A GLY 182.A N ASN 178.A O no hydrogen 3.000 N/A PHE 183.A N ALA 179.A O no hydrogen 2.844 N/A LEU 184.A N VAL 180.A O no hydrogen 2.968 N/A ASN 185.A N ASP 181.A O no hydrogen 3.266 N/A HIS 186.A N LEU 184.A O no hydrogen 2.973 N/A HIS 186.A ND1 SER 193.A OG no hydrogen 2.812 N/A HIS 186.A NE2 SER 239.A OG no hydrogen 2.917 N/A HIS 186.A NE2 TYR 282.A OH no hydrogen 3.054 N/A HIS 188.A N ASN 185.A OD1 no hydrogen 3.011 N/A ASN 189.A N HIS 186.A O no hydrogen 3.377 N/A ASN 189.A ND2 ASP 181.A OD2 no hydrogen 3.197 N/A ASN 189.A ND2 ASN 185.A O no hydrogen 2.885 N/A GLY 191.A N HIS 186.A O no hydrogen 2.801 N/A LYS 192.A N ASN 189.A O no hydrogen 3.020 N/A LYS 192.A NZ GLN 118.A O no hydrogen 2.702 N/A SER 193.A OG HIS 186.A ND1 no hydrogen 2.812 N/A ILE 194.A N PHE 183.A O no hydrogen 2.801 N/A MET 196.A N SER 193.A OG no hydrogen 3.067 N/A THR 197.A N SER 193.A O no hydrogen 2.928 N/A THR 197.A OG1 HIS 135.A O no hydrogen 2.700 N/A THR 197.A OG1 SER 193.A O no hydrogen 2.951 N/A ILE 198.A N ILE 194.A O no hydrogen 2.920 N/A ASP 199.A N LEU 195.A O no hydrogen 3.141 N/A SER 200.A N THR 197.A O no hydrogen 3.130 N/A SER 200.A OG THR 197.A O no hydrogen 2.739 N/A LEU 201.A N ILE 198.A O no hydrogen 3.440 N/A TYR 205.A N PRO 202.A O no hydrogen 3.043 N/A SER 206.A N ASP 203.A O no hydrogen 3.196 N/A GLU 208.A N GLU 208.A OE1 no hydrogen 2.601 N/A LYS 209.A N TYR 205.A O no hydrogen 3.009 N/A LYS 209.A NZ ASP 199.A O no hydrogen 3.279 N/A LYS 209.A NZ LEU 201.A O no hydrogen 2.823 N/A LYS 209.A NZ ASP 203.A OD1 no hydrogen 3.465 N/A VAL 210.A N SER 206.A O no hydrogen 3.082 N/A GLN 211.A N GLN 207.A O no hydrogen 3.056 N/A ALA 212.A N GLU 208.A O no hydrogen 2.967 N/A MET 213.A N LYS 209.A O no hydrogen 2.931 N/A GLU 214.A N VAL 210.A O no hydrogen 2.733 N/A ASP 215.A N GLN 211.A O no hydrogen 3.047 N/A LEU 216.A N ALA 212.A O no hydrogen 3.029 N/A VAL 217.A N MET 213.A O no hydrogen 2.910 N/A LYS 218.A N GLU 214.A O no hydrogen 2.832 N/A LYS 218.A NZ ASP 215.A OD1 no hydrogen 3.559 N/A SER 219.A N ASP 215.A O no hydrogen 3.169 N/A LEU 220.A N LEU 216.A O no hydrogen 2.793 N/A ARG 221.A N VAL 217.A O no hydrogen 2.749 N/A GLY 222.A N LYS 218.A O no hydrogen 2.802 N/A GLY 223.A N ARG 221.A O no hydrogen 2.501 N/A ARG 224.A N ARG 221.A O no hydrogen 3.059 N/A CYS 229.A SG TRP 175.A O no hydrogen 3.932 N/A ARG 231.A N GLU 227.A O no hydrogen 3.018 N/A VAL 233.A N ILE 230.A O no hydrogen 2.929 N/A GLU 234.A N ARG 231.A O no hydrogen 3.495 N/A SER 235.A OG GLU 187.A OE1 no hydrogen 3.158 N/A SER 235.A OG GLU 187.A OE2 no hydrogen 2.483 N/A SER 236.A OG ASN 185.A OD1 no hydrogen 3.438 N/A LEU 237.A N VAL 233.A O no hydrogen 2.813 N/A VAL 238.A N GLU 234.A O no hydrogen 3.095 N/A SER 239.A N SER 235.A O no hydrogen 2.938 N/A SER 239.A OG HIS 186.A NE2 no hydrogen 2.917 N/A SER 239.A OG SER 236.A O no hydrogen 2.697 N/A SER 239.A OG TYR 282.A OH no hydrogen 2.936 N/A VAL 240.A N LEU 237.A O no hydrogen 3.307 N/A LEU 241.A N LEU 237.A O no hydrogen 2.910 N/A ALA 242.A N VAL 238.A O no hydrogen 3.239 N/A TYR 246.A N HIS 243.A O no hydrogen 3.112 N/A TYR 246.A OH ASP 199.A OD1 no hydrogen 2.783 N/A GLN 248.A N PRO 245.A O no hydrogen 3.187 N/A SER 249.A N TYR 246.A O no hydrogen 3.283 N/A SER 249.A OG GLU 214.A OE2 no hydrogen 2.555 N/A ILE 252.A N SER 249.A OG no hydrogen 3.026 N/A SER 253.A N SER 249.A O no hydrogen 2.911 N/A SER 253.A OG THR 247.A O no hydrogen 3.110 N/A SER 253.A OG SER 249.A O no hydrogen 2.617 N/A GLU 254.A N ALA 250.A O no hydrogen 3.083 N/A TRP 255.A N LEU 251.A O no hydrogen 3.188 N/A LEU 256.A N ILE 252.A O no hydrogen 2.743 N/A GLY 257.A N SER 253.A O no hydrogen 3.140 N/A GLN 260.A N LEU 256.A O no hydrogen 2.847 N/A GLN 260.A NE2 ASP 293.A OD2 no hydrogen 2.892 N/A GLN 260.A NE2 SER 294.A OG no hydrogen 3.102 N/A GLU 261.A N GLY 257.A O no hydrogen 3.163 N/A ARG 262.A N PRO 258.A O no hydrogen 3.020 N/A PHE 263.A N VAL 259.A O no hydrogen 2.946 N/A PHE 264.A N GLN 260.A O no hydrogen 2.834 N/A ALA 265.A N GLU 261.A O no hydrogen 2.867 N/A HIS 266.A N ARG 262.A O no hydrogen 2.984 N/A HIS 266.A ND1 GLU 234.A OE1 no hydrogen 2.705 N/A GLN 267.A N PHE 263.A O no hydrogen 3.055 N/A CYS 268.A N PHE 264.A O no hydrogen 2.979 N/A CYS 268.A SG PHE 264.A O no hydrogen 3.526 N/A GLN 269.A N ALA 265.A O no hydrogen 3.015 N/A THR 270.A N HIS 266.A O no hydrogen 3.059 N/A THR 270.A N GLN 267.A O no hydrogen 3.238 N/A THR 270.A OG1 HIS 266.A O no hydrogen 2.779 N/A TYR 271.A N GLN 267.A O no hydrogen 2.813 N/A LEU 276.A N GLN 311.A OE1 no hydrogen 2.724 N/A TYR 282.A OH HIS 186.A NE2 no hydrogen 3.054 N/A TYR 282.A OH GLU 187.A OE2 no hydrogen 2.685 N/A TYR 283.A N ASP 280.A OD1 no hydrogen 3.009 N/A GLN 284.A N ASP 280.A O no hydrogen 2.963 N/A GLN 285.A N THR 281.A O no hydrogen 2.958 N/A ARG 286.A N TYR 282.A O no hydrogen 2.865 N/A ARG 286.A NH1 SER 239.A O no hydrogen 2.874 N/A ARG 286.A NH2 ASP 199.A OD2 no hydrogen 3.393 N/A ILE 287.A N TYR 283.A O no hydrogen 2.973 N/A LEU 288.A N TYR 283.A O no hydrogen 2.911 N/A LEU 291.A N ILE 287.A O no hydrogen 3.016 N/A LEU 292.A N LEU 288.A O no hydrogen 2.971 N/A ASP 293.A N PRO 289.A O no hydrogen 3.056 N/A SER 294.A N VAL 290.A O no hydrogen 2.924 N/A PHE 295.A N LEU 291.A O no hydrogen 2.990 N/A ASP 296.A N LEU 292.A O no hydrogen 2.879 N/A ARG 297.A N ASP 293.A O no hydrogen 2.927 N/A ASN 298.A N SER 294.A O no hydrogen 2.901 N/A ALA 301.A N ASN 298.A O no hydrogen 2.993 N/A MET 302.A N SER 299.A O no hydrogen 3.248 N/A THR 303.A N ALA 300.A O no hydrogen 3.302 N/A THR 303.A OG1 ALA 300.A O no hydrogen 3.266 N/A THR 304.A N ALA 300.A O no hydrogen 3.244 N/A THR 304.A OG1 ALA 300.A O no hydrogen 3.384 N/A HIS 305.A N ALA 301.A O no hydrogen 2.782 N/A LEU 308.A N ASN 272.A OD1 no hydrogen 3.008 N/A PHE 309.A N HIS 305.A O no hydrogen 2.958 N/A ASN 310.A N SER 306.A O no hydrogen 2.942 N/A ASN 310.A ND2 SER 306.A O no hydrogen 2.722 N/A ASN 310.A ND2 TYR 337.A OH no hydrogen 3.324 N/A ASN 310.A ND2 LEU 370.A O no hydrogen 3.568 N/A GLN 311.A N GLY 307.A O no hydrogen 3.368 N/A GLN 311.A NE2 VAL 274.A O no hydrogen 3.263 N/A GLN 311.A NE2 GLY 307.A O no hydrogen 3.503 N/A VAL 312.A N LEU 308.A O no hydrogen 2.992 N/A ILE 313.A N PHE 309.A O no hydrogen 3.026 N/A LEU 314.A N ASN 310.A O no hydrogen 2.891 N/A HIS 315.A N GLN 311.A O no hydrogen 2.927 N/A CYS 316.A N VAL 312.A O no hydrogen 2.932 N/A CYS 316.A SG VAL 312.A O no hydrogen 3.360 N/A MET 317.A N ILE 313.A O no hydrogen 2.998 N/A THR 318.A N LEU 314.A O no hydrogen 3.048 N/A THR 318.A OG1 LEU 314.A O no hydrogen 2.849 N/A GLY 319.A N HIS 315.A O no hydrogen 2.917 N/A CYS 322.A N GLY 319.A O no hydrogen 3.404 N/A CYS 322.A SG HIS 315.A O no hydrogen 3.615 N/A CYS 322.A SG CYS 316.A O no hydrogen 3.643 N/A CYS 322.A SG GLY 319.A O no hydrogen 3.915 N/A THR 323.A OG1 THR 326.A OG1 no hydrogen 2.975 N/A THR 326.A N THR 323.A OG1 no hydrogen 3.120 N/A THR 326.A OG1 THR 323.A OG1 no hydrogen 2.975 N/A ARG 327.A N THR 323.A O no hydrogen 3.174 N/A ARG 327.A NH1 CYS 316.A O no hydrogen 3.082 N/A ARG 327.A NH1 GLY 319.A O no hydrogen 2.785 N/A ARG 327.A NH2 GLY 319.A O no hydrogen 2.924 N/A GLN 328.A N ASP 324.A O no hydrogen 2.868 N/A LYS 329.A N GLY 325.A O no hydrogen 2.904 N/A LYS 329.A NZ ASP 296.A OD2 no hydrogen 3.124 N/A ALA 330.A N THR 326.A O no hydrogen 2.988 N/A ALA 331.A N ARG 327.A O no hydrogen 2.940 N/A ALA 332.A N GLN 328.A O no hydrogen 2.858 N/A LEU 333.A N LYS 329.A O no hydrogen 2.871 N/A TYR 334.A N ALA 330.A O no hydrogen 2.880 N/A TYR 334.A OH ASN 310.A OD1 no hydrogen 2.868 N/A GLU 335.A N ALA 331.A O no hydrogen 2.955 N/A GLN 336.A N ALA 332.A O no hydrogen 3.439 N/A TYR 337.A N LEU 333.A O no hydrogen 3.117 N/A TYR 337.A OH LEU 370.A O no hydrogen 2.623 N/A LEU 338.A N TYR 334.A O no hydrogen 2.951 N/A ALA 339.A N GLU 335.A O no hydrogen 3.054 N/A ALA 339.A N GLN 336.A O no hydrogen 3.227 N/A HIS 340.A N TYR 337.A O no hydrogen 3.188 N/A ALA 342.A N HIS 340.A ND1 no hydrogen 2.976 N/A VAL 343.A N HIS 340.A O no hydrogen 2.999 N/A SER 344.A N HIS 340.A O no hydrogen 2.862 N/A SER 344.A OG HIS 340.A O no hydrogen 3.071 N/A HIS 346.A N VAL 343.A O no hydrogen 2.944 N/A ILE 347.A N SER 344.A O no hydrogen 3.078 N/A LEU 351.A N HIS 348.A O no hydrogen 3.289 N/A PHE 352.A N HIS 348.A O no hydrogen 3.254 N/A GLY 353.A N ASP 367.A O no hydrogen 3.006 N/A ASN 354.A N SER 358.A O no hydrogen 2.882 N/A TYR 355.A N PHE 352.A O no hydrogen 2.702 N/A ASP 360.A N ASN 368.A OD1 no hydrogen 2.652 N/A THR 362.A N ASP 360.A OD1 no hydrogen 3.196 N/A THR 362.A OG1 ASP 360.A OD1 no hydrogen 2.532 N/A THR 362.A OG1 ASP 360.A OD2 no hydrogen 3.365 N/A THR 363.A N ASP 360.A O no hydrogen 3.456 N/A ALA 365.A N THR 363.A OG1 no hydrogen 3.199 N/A ASN 368.A ND2 ASP 360.A O no hydrogen 2.915 N/A ASN 368.A ND2 THR 363.A O no hydrogen 3.569 N/A PHE 369.A N LEU 383.A O no hydrogen 3.235 N/A LEU 370.A N TYR 334.A OH no hydrogen 2.986 N/A LEU 371.A N MET 381.A O no hydrogen 2.831 N/A SER 373.A N THR 379.A O no hydrogen 2.965 N/A SER 373.A OG ASP 426.A OD1 no hydrogen 2.607 N/A SER 374.A N ASP 426.A O no hydrogen 2.833 N/A GLN 375.A N SER 373.A OG no hydrogen 3.118 N/A ASP 376.A N SER 373.A OG no hydrogen 3.178 N/A ALA 380.A N LEU 406.A O no hydrogen 2.996 N/A MET 381.A N LEU 371.A O no hydrogen 2.901 N/A MET 382.A N TYR 404.A O no hydrogen 2.753 N/A LEU 383.A N PHE 369.A O no hydrogen 3.176 N/A SER 384.A OG THR 387.A OG1 no hydrogen 3.073 N/A ASP 386.A N ARG 364.A O no hydrogen 2.966 N/A THR 387.A N SER 384.A OG no hydrogen 3.113 N/A THR 387.A OG1 SER 384.A OG no hydrogen 3.073 N/A LEU 388.A N SER 384.A O no hydrogen 3.065 N/A LEU 389.A N THR 385.A O no hydrogen 3.136 N/A THR 390.A N ASP 386.A O no hydrogen 3.376 N/A THR 390.A OG1 THR 387.A O no hydrogen 2.951 N/A MET 391.A N THR 387.A O no hydrogen 2.872 N/A LEU 392.A N LEU 388.A O no hydrogen 2.946 N/A ASN 393.A N LEU 389.A O no hydrogen 3.099 N/A THR 395.A N THR 398.A OG1 no hydrogen 2.944 N/A THR 398.A OG1 THR 395.A O no hydrogen 3.516 N/A TRP 400.A NE1 GLN 437.A OE1 no hydrogen 2.750 N/A TYR 404.A N MET 382.A O no hydrogen 2.742 N/A LEU 406.A N ALA 380.A O no hydrogen 2.725 N/A ARG 407.A N GLU 410.A O no hydrogen 3.003 N/A GLU 410.A N ARG 407.A O no hydrogen 2.755 N/A VAL 412.A N LEU 405.A O no hydrogen 2.850 N/A LEU 422.A N SER 418.A O no hydrogen 3.271 N/A PHE 423.A N PRO 419.A O no hydrogen 2.866 N/A ARG 424.A N VAL 420.A O no hydrogen 2.885 N/A HIS 425.A N GLU 421.A O no hydrogen 3.306 N/A ASP 426.A N LEU 422.A O no hydrogen 2.985 N/A PHE 427.A N PHE 423.A O no hydrogen 2.817 N/A PHE 430.A N PHE 427.A O no hydrogen 3.051 N/A LEU 431.A N PHE 427.A O no hydrogen 3.194 N/A ALA 432.A N PRO 428.A O no hydrogen 3.091 N/A ALA 433.A N VAL 429.A O no hydrogen 3.037 N/A PHE 434.A N PHE 430.A O no hydrogen 2.748 N/A ASN 435.A N LEU 431.A O no hydrogen 2.818 N/A GLN 436.A N ALA 432.A O no hydrogen 2.845 N/A GLN 437.A N ALA 433.A O no hydrogen 2.942 N/A GLN 437.A NE2 THR 395.A O no hydrogen 2.968 N/A GLN 437.A NE2 THR 398.A O no hydrogen 3.077 N/A ALA 438.A N PHE 434.A O no hydrogen 3.009 N/A THR 439.A N ASN 435.A O no hydrogen 2.868 N/A THR 439.A OG1 ASN 435.A O no hydrogen 3.013 N/A THR 439.A OG1 SER 613.A O no hydrogen 2.954 N/A GLN 440.A N GLN 436.A O no hydrogen 2.994 N/A GLN 440.A NE2 THR 467.A OG1 no hydrogen 2.998 N/A ARG 441.A N GLN 437.A O no hydrogen 2.893 N/A ARG 442.A N ALA 438.A O no hydrogen 2.956 N/A PHE 443.A N THR 439.A O no hydrogen 3.066 N/A GLY 444.A N GLN 440.A O no hydrogen 2.884 N/A GLU 445.A N ARG 441.A O no hydrogen 2.944 N/A LEU 446.A N ARG 442.A O no hydrogen 3.081 N/A ILE 447.A N PHE 443.A O no hydrogen 2.922 N/A ASP 448.A N GLY 444.A O no hydrogen 2.889 N/A ILE 449.A N GLU 445.A O no hydrogen 2.914 N/A ILE 450.A N LEU 446.A O no hydrogen 2.986 N/A LEU 451.A N ILE 447.A O no hydrogen 2.618 N/A HIS 456.A N SER 452.A O no hydrogen 2.967 N/A ASN 460.A N HIS 456.A O no hydrogen 2.954 N/A ASN 460.A ND2 ASP 448.A OD1 no hydrogen 2.979 N/A ASN 460.A ND2 LEU 451.A O no hydrogen 2.764 N/A GLN 461.A N GLY 457.A O no hydrogen 3.037 N/A GLN 462.A N GLU 458.A O no hydrogen 3.026 N/A PHE 463.A N LEU 459.A O no hydrogen 2.772 N/A LEU 464.A N ASN 460.A O no hydrogen 2.945 N/A ALA 465.A N GLN 461.A O no hydrogen 2.811 N/A ALA 466.A N GLN 462.A O no hydrogen 2.984 N/A THR 467.A N LEU 464.A O no hydrogen 3.252 N/A THR 467.A OG1 LEU 464.A O no hydrogen 2.710 N/A ASN 468.A N ALA 465.A O no hydrogen 3.178 N/A SER 472.A N ALA 538.A O no hydrogen 3.057 N/A SER 472.A OG VAL 474.A O no hydrogen 3.074 N/A VAL 474.A N SER 472.A OG no hydrogen 3.027 N/A LYS 475.A NZ SER 537.A O no hydrogen 2.801 N/A LYS 475.A NZ ILE 539.A O no hydrogen 2.927 N/A LYS 475.A NZ GLY 541.A O no hydrogen 2.939 N/A LEU 476.A N PHE 540.A O no hydrogen 2.871 N/A SER 481.A N ASP 478.A OD2 no hydrogen 3.081 N/A SER 481.A OG ASP 478.A OD1 no hydrogen 2.613 N/A SER 481.A OG ASP 478.A OD2 no hydrogen 3.444 N/A VAL 482.A N ASP 478.A O no hydrogen 3.079 N/A SER 483.A N ASP 479.A O no hydrogen 2.993 N/A ARG 484.A N ALA 480.A O no hydrogen 2.917 N/A LEU 485.A N SER 481.A O no hydrogen 2.849 N/A ALA 486.A N VAL 482.A O no hydrogen 3.109 N/A THR 487.A N SER 483.A O no hydrogen 3.405 N/A THR 487.A N ARG 484.A O no hydrogen 3.185 N/A THR 487.A OG1 SER 483.A O no hydrogen 3.528 N/A ILE 488.A N LEU 485.A O no hydrogen 2.927 N/A PHE 489.A N LEU 485.A O no hydrogen 2.939 N/A ASP 490.A N ALA 486.A O no hydrogen 3.255 N/A LEU 492.A N PHE 489.A O no hydrogen 2.904 N/A LEU 493.A N ASP 490.A O no hydrogen 2.955 N/A GLY 496.A N LEU 493.A O no hydrogen 2.932 N/A LYS 497.A N PRO 494.A O no hydrogen 2.946 N/A SER 499.A N LEU 492.A O no hydrogen 2.904 N/A HIS 502.A N SER 499.A OG no hydrogen 2.983 N/A TYR 503.A N SER 499.A O no hydrogen 2.950 N/A GLN 504.A N PRO 500.A O no hydrogen 3.006 N/A HIS 505.A N ALA 501.A O no hydrogen 3.121 N/A ILE 506.A N HIS 502.A O no hydrogen 3.011 N/A LEU 507.A N TYR 503.A O no hydrogen 3.006 N/A SER 508.A N GLN 504.A O no hydrogen 2.893 N/A SER 508.A OG GLN 504.A O no hydrogen 3.441 N/A ALA 509.A N HIS 505.A O no hydrogen 3.006 N/A TYR 510.A N ILE 506.A O no hydrogen 3.040 N/A HIS 511.A N SER 508.A O no hydrogen 3.233 N/A LEU 512.A N LEU 507.A O no hydrogen 2.811 N/A ALA 515.A N LEU 512.A O no hydrogen 2.978 N/A LYS 519.A NZ THR 523.A OG1 no hydrogen 3.219 N/A GLN 520.A N THR 516.A O no hydrogen 3.078 N/A ALA 521.A N PRO 517.A O no hydrogen 2.985 N/A GLU 522.A N GLN 518.A O no hydrogen 2.862 N/A THR 523.A N LYS 519.A O no hydrogen 3.125 N/A THR 523.A OG1 LYS 519.A O no hydrogen 2.729 N/A LEU 524.A N GLN 520.A O no hydrogen 2.995 N/A PHE 525.A N ALA 521.A O no hydrogen 2.814 N/A CYS 526.A N GLU 522.A O no hydrogen 3.078 N/A CYS 526.A SG GLU 522.A O no hydrogen 3.267 N/A LEU 527.A N THR 523.A O no hydrogen 2.980 N/A SER 528.A N LEU 524.A O no hydrogen 2.956 N/A SER 528.A OG ALA 554.A O no hydrogen 2.583 N/A THR 529.A N PHE 525.A O no hydrogen 3.000 N/A THR 529.A OG1 PHE 525.A O no hydrogen 3.136 N/A ALA 530.A N CYS 526.A O no hydrogen 2.932 N/A PHE 531.A N LEU 527.A O no hydrogen 2.944 N/A ALA 532.A N SER 528.A O no hydrogen 2.946 N/A ARG 533.A N THR 529.A O no hydrogen 3.027 N/A TYR 534.A N ALA 530.A O no hydrogen 3.069 N/A TYR 534.A OH PHE 463.A O no hydrogen 2.576 N/A SER 535.A N PHE 531.A O no hydrogen 3.229 N/A SER 535.A OG ALA 532.A O no hydrogen 2.839 N/A SER 535.A OG SER 546.A OG no hydrogen 3.399 N/A SER 536.A N ARG 533.A O no hydrogen 2.915 N/A SER 536.A OG ARG 533.A O no hydrogen 2.610 N/A ILE 539.A N SER 536.A O no hydrogen 3.288 N/A PHE 540.A N TYR 534.A O no hydrogen 2.930 N/A GLY 541.A N SER 536.A O no hydrogen 2.871 N/A THR 542.A N ASP 545.A O no hydrogen 2.780 N/A THR 542.A OG1 ASP 545.A O no hydrogen 3.409 N/A SER 546.A OG SER 535.A O no hydrogen 2.573 N/A ARG 551.A N PRO 547.A O no hydrogen 3.303 N/A ARG 551.A NE SER 546.A O no hydrogen 2.921 N/A ARG 551.A NH1 PHE 582.A O no hydrogen 2.715 N/A ARG 551.A NH2 SER 546.A O no hydrogen 2.947 N/A GLY 552.A N PRO 548.A O no hydrogen 2.940 N/A TYR 553.A N ALA 549.A O no hydrogen 3.151 N/A ALA 554.A N LEU 550.A O no hydrogen 3.070 N/A GLU 555.A N ARG 551.A O no hydrogen 3.011 N/A ALA 556.A N GLY 552.A O no hydrogen 3.043 N/A LEU 557.A N TYR 553.A O no hydrogen 3.110 N/A MET 558.A N ALA 554.A O no hydrogen 3.261 N/A GLN 559.A N GLU 555.A O no hydrogen 2.908 N/A LYS 560.A N ALA 556.A O no hydrogen 2.992 N/A ALA 561.A N LEU 557.A O no hydrogen 3.191 N/A TRP 562.A N MET 558.A O no hydrogen 3.039 N/A GLU 563.A N GLN 559.A O no hydrogen 2.898 N/A LEU 564.A N LYS 560.A O no hydrogen 2.847 N/A SER 565.A N ALA 561.A O no hydrogen 2.889 N/A ILE 568.A N SER 565.A O no hydrogen 3.211 N/A PHE 569.A N PRO 566.A O no hydrogen 3.060 N/A GLN 574.A N SER 571.A OG no hydrogen 2.749 N/A THR 576.A OG1 SER 572.A O no hydrogen 3.348 N/A GLU 577.A N GLU 573.A O no hydrogen 2.751 N/A TRP 578.A N GLN 574.A O no hydrogen 3.247 N/A TRP 578.A NE1 SER 598.A OG no hydrogen 2.850 N/A SER 579.A N PHE 575.A O no hydrogen 3.126 N/A SER 579.A OG GLU 555.A OE2 no hydrogen 2.827 N/A ASP 580.A N THR 576.A O no hydrogen 2.935 N/A ARG 581.A N GLU 577.A O no hydrogen 3.273 N/A ARG 581.A NH1 GLU 577.A OE1 no hydrogen 2.842 N/A ARG 581.A NH2 GLU 577.A OE1 no hydrogen 2.853 N/A PHE 582.A N TRP 578.A O no hydrogen 2.953 N/A HIS 583.A N SER 579.A O no hydrogen 3.106 N/A VAL 595.A N THR 592.A OG1 no hydrogen 2.399 N/A ASP 597.A N SER 593.A O no hydrogen 3.196 N/A SER 598.A N VAL 594.A O no hydrogen 2.962 N/A MET 599.A N VAL 595.A O no hydrogen 2.995 N/A GLN 600.A N ALA 596.A O no hydrogen 2.980 N/A GLN 600.A NE2 TRP 619.A O no hydrogen 3.250 N/A ARG 601.A N ASP 597.A O no hydrogen 2.957 N/A HIS 602.A N SER 598.A O no hydrogen 3.225 N/A ALA 603.A N MET 599.A O no hydrogen 3.030 N/A ARG 604.A N GLN 600.A O no hydrogen 3.020 N/A LYS 605.A N ARG 601.A O no hydrogen 3.343 N/A LYS 605.A NZ TYR 606.A OH no hydrogen 3.147 N/A TYR 606.A N HIS 602.A O no hydrogen 3.214 N/A PHE 607.A N ALA 603.A O no hydrogen 2.895 N/A LEU 611.A N PHE 607.A O no hydrogen 3.085 N/A SER 612.A N PRO 608.A O no hydrogen 3.175 N/A SER 612.A OG PRO 608.A O no hydrogen 3.022 N/A SER 612.A OG SER 609.A O no hydrogen 3.090 N/A SER 613.A N SER 609.A O no hydrogen 3.306 N/A SER 613.A N VAL 610.A O no hydrogen 3.103 N/A SER 613.A OG SER 609.A O no hydrogen 3.146 N/A SER 613.A OG VAL 610.A O no hydrogen 2.721 N/A ILE 614.A N LEU 611.A O no hydrogen 3.155 N/A LEU 615.A N LEU 611.A O no hydrogen 2.860 N/A TRP 619.A N PRO 616.A O no hydrogen 3.047 N/A TRP 619.A NE1 ALA 466.A O no hydrogen 3.132 N/A TRP 619.A NE1 GLN 469.A O no hydrogen 3.090 N/A ALA 620.A N LEU 617.A O no hydrogen 2.866 N/A