Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3iun_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 7.A NE GLU 34.A OE2 no hydrogen 2.741 N/A ARG 7.A NH2 GLU 34.A OE1 no hydrogen 2.952 N/A ARG 7.A NH2 GLU 34.A OE2 no hydrogen 3.466 N/A GLN 8.A NE2 TYR 24.A OH no hydrogen 3.413 N/A GLY 9.A N PRO 23.A O no hydrogen 2.780 N/A GLN 11.A NE2 VAL 12.A O no hydrogen 3.259 N/A GLN 11.A NE2 ASP 13.A OD1 no hydrogen 3.492 N/A ASP 13.A N VAL 20.A O no hydrogen 2.681 N/A TYR 15.A N GLN 18.A O no hydrogen 2.674 N/A GLN 18.A N TYR 15.A O no hydrogen 2.797 N/A VAL 20.A N ASP 13.A O no hydrogen 2.630 N/A ASP 22.A N GLN 11.A O no hydrogen 2.848 N/A ARG 25.A N ASP 22.A O no hydrogen 3.221 N/A ARG 25.A NH1 ASP 13.A OD2 no hydrogen 2.969 N/A ARG 25.A NH1 ASP 22.A OD2 no hydrogen 2.587 N/A ARG 25.A NH2 ASP 13.A OD1 no hydrogen 2.809 N/A ARG 25.A NH2 ASP 13.A OD2 no hydrogen 2.902 N/A TRP 26.A NE1 ARG 7.A O no hydrogen 2.857 N/A LEU 27.A N TYR 24.A O no hydrogen 2.848 N/A GLU 28.A N ARG 25.A O no hydrogen 2.900 N/A ASP 29.A N TRP 26.A O no hydrogen 3.371 N/A ARG 31.A N ASP 29.A OD1 no hydrogen 3.040 N/A SER 32.A N ASP 29.A O no hydrogen 3.418 N/A SER 32.A OG THR 35.A OG1 no hydrogen 3.130 N/A THR 35.A N SER 32.A OG no hydrogen 3.035 N/A THR 35.A OG1 ASP 29.A O no hydrogen 2.875 N/A THR 35.A OG1 SER 32.A OG no hydrogen 3.130 N/A GLU 36.A N SER 32.A O no hydrogen 3.119 N/A ALA 37.A N PRO 33.A O no hydrogen 3.035 N/A TRP 38.A N GLU 34.A O no hydrogen 3.085 N/A TRP 38.A NE1 THR 6.A OG1 no hydrogen 2.876 N/A VAL 39.A N THR 35.A O no hydrogen 2.767 N/A LYS 40.A N GLU 36.A O no hydrogen 2.934 N/A ALA 41.A N ALA 37.A O no hydrogen 3.018 N/A GLN 42.A N TRP 38.A O no hydrogen 2.852 N/A GLN 42.A NE2 GLN 629.A OE1 no hydrogen 2.935 N/A ASN 43.A N VAL 39.A O no hydrogen 2.952 N/A ALA 44.A N LYS 40.A O no hydrogen 3.163 N/A VAL 45.A N ALA 41.A O no hydrogen 3.073 N/A THR 46.A N GLN 42.A O no hydrogen 2.863 N/A THR 46.A OG1 GLN 42.A O no hydrogen 2.995 N/A THR 46.A OG1 ILE 640.A O no hydrogen 2.740 N/A GLN 47.A N ASN 43.A O no hydrogen 2.751 N/A ASP 48.A N ALA 44.A O no hydrogen 2.956 N/A TYR 49.A N VAL 45.A O no hydrogen 3.054 N/A TYR 49.A OH GLU 664.A OE2 no hydrogen 2.488 N/A LEU 50.A N THR 46.A O no hydrogen 3.039 N/A ALA 51.A N GLN 47.A O no hydrogen 2.832 N/A GLN 52.A N TYR 49.A O no hydrogen 3.335 N/A GLN 52.A NE2 ASP 48.A O no hydrogen 3.438 N/A ILE 53.A N LEU 50.A O no hydrogen 2.903 N/A TYR 55.A OH TYR 667.A O no hydrogen 2.751 N/A ARG 56.A N ILE 53.A O no hydrogen 3.455 N/A ARG 56.A NH1 GLN 47.A OE1 no hydrogen 3.160 N/A ARG 56.A NH1 ASP 656.A OD1 no hydrogen 2.957 N/A ARG 56.A NH2 GLN 47.A OE1 no hydrogen 3.551 N/A ILE 59.A N TYR 55.A O no hydrogen 3.079 N/A LYS 60.A N ARG 56.A O no hydrogen 2.997 N/A GLU 61.A N ALA 57.A O no hydrogen 2.992 N/A LYS 62.A N ALA 58.A O no hydrogen 2.980 N/A LYS 62.A NZ ASP 469.A O no hydrogen 3.541 N/A LEU 63.A N ILE 59.A O no hydrogen 3.005 N/A ALA 64.A N LYS 60.A O no hydrogen 2.883 N/A ALA 65.A N GLU 61.A O no hydrogen 2.940 N/A SER 66.A N LEU 63.A O no hydrogen 3.205 N/A SER 66.A OG LYS 62.A O no hydrogen 3.096 N/A SER 66.A OG LEU 63.A O no hydrogen 3.226 N/A SER 66.A OG ASN 466.A OD1 no hydrogen 3.432 N/A LYS 71.A N ASN 87.A O no hydrogen 2.999 N/A GLY 73.A N PHE 85.A O no hydrogen 2.908 N/A PHE 76.A N TYR 83.A O no hydrogen 2.718 N/A ARG 77.A NE GLY 79.A O no hydrogen 2.902 N/A ARG 77.A NH2 GLY 79.A O no hydrogen 3.545 N/A GLU 78.A N TYR 81.A O no hydrogen 2.923 N/A ARG 80.A NE GLU 154.A OE2 no hydrogen 2.998 N/A ARG 80.A NH1 GLN 100.A OE1 no hydrogen 2.906 N/A ARG 80.A NH2 GLU 154.A OE2 no hydrogen 3.319 N/A TYR 81.A N GLU 78.A O no hydrogen 3.411 N/A TYR 81.A OH GLU 154.A OE1 no hydrogen 2.949 N/A HIS 82.A N GLN 99.A O no hydrogen 2.937 N/A TYR 83.A N PHE 76.A O no hydrogen 2.697 N/A PHE 84.A N TRP 97.A O no hydrogen 3.014 N/A LYS 86.A N VAL 95.A O no hydrogen 2.842 N/A ASN 87.A N LYS 71.A O no hydrogen 3.018 N/A ASN 87.A ND2 GLN 91.A O no hydrogen 3.227 N/A ASN 87.A ND2 ASN 94.A OD1 no hydrogen 2.617 N/A ASP 88.A N GLN 91.A OE1 no hydrogen 2.890 N/A GLY 89.A N ASN 87.A OD1 no hydrogen 2.747 N/A GLN 93.A N ASN 112.A OD1 no hydrogen 2.926 N/A GLN 93.A NE2 GLY 118.A O no hydrogen 3.486 N/A GLN 93.A NE2 THR 120.A O no hydrogen 2.510 N/A VAL 95.A N LYS 86.A O no hydrogen 2.780 N/A LEU 96.A N LEU 109.A O no hydrogen 2.806 N/A TRP 97.A N PHE 84.A O no hydrogen 2.787 N/A ARG 98.A N GLU 106.A O no hydrogen 2.783 N/A ARG 98.A NH1 TYR 83.A OH no hydrogen 3.467 N/A ARG 98.A NH1 VAL 153.A O no hydrogen 2.916 N/A GLN 99.A N HIS 82.A O no hydrogen 2.875 N/A GLU 106.A N ARG 98.A O no hydrogen 2.798 N/A PHE 108.A N LEU 96.A O no hydrogen 2.821 N/A LEU 109.A N LEU 96.A O no hydrogen 3.000 N/A ASN 112.A N ASP 110.A OD1 no hydrogen 2.906 N/A ASN 112.A ND2 GLN 93.A O no hydrogen 2.894 N/A ASN 112.A ND2 ASP 110.A OD1 no hydrogen 2.777 N/A THR 113.A N ASP 110.A O no hydrogen 3.193 N/A THR 113.A OG1 ASP 110.A O no hydrogen 3.161 N/A LEU 114.A N PRO 111.A O no hydrogen 3.094 N/A SER 115.A OG THR 119.A OG1 no hydrogen 3.021 N/A GLY 118.A N SER 115.A O no hydrogen 2.678 N/A THR 119.A N SER 115.A OG no hydrogen 2.723 N/A THR 119.A OG1 SER 115.A OG no hydrogen 3.021 N/A ALA 121.A N SER 139.A O no hydrogen 2.829 N/A LEU 122.A N GLN 93.A OE1 no hydrogen 3.079 N/A ASP 123.A N SER 137.A O no hydrogen 2.820 N/A GLN 124.A N SER 137.A OG no hydrogen 2.965 N/A GLN 124.A NE2 ASP 123.A OD1 no hydrogen 2.786 N/A SER 126.A N ALA 135.A O no hydrogen 2.965 N/A SER 126.A OG ILE 171.A O no hydrogen 3.146 N/A SER 128.A N ILE 133.A O no hydrogen 2.885 N/A SER 128.A OG ASP 130.A OD1 no hydrogen 2.753 N/A SER 128.A OG ILE 133.A O no hydrogen 3.498 N/A SER 128.A OG ASN 176.A OD1 no hydrogen 3.486 N/A ARG 129.A N GLY 175.A O no hydrogen 3.077 N/A ARG 129.A NE ASP 233.A OD2 no hydrogen 2.854 N/A ARG 129.A NH2 ASP 233.A OD1 no hydrogen 2.594 N/A ASP 130.A N ASN 176.A OD1 no hydrogen 2.822 N/A GLY 131.A N SER 128.A O no hydrogen 2.874 N/A ARG 132.A N ASP 130.A OD1 no hydrogen 2.707 N/A ILE 133.A N SER 128.A OG no hydrogen 3.064 N/A LEU 134.A N MET 151.A O no hydrogen 3.074 N/A ALA 135.A N SER 126.A O no hydrogen 3.033 N/A TYR 136.A N HIS 149.A O no hydrogen 3.102 N/A SER 137.A N GLN 124.A O no hydrogen 3.054 N/A LEU 138.A N GLU 147.A O no hydrogen 3.249 N/A SER 139.A N ALA 121.A O no hydrogen 2.842 N/A SER 143.A N LEU 140.A O no hydrogen 2.900 N/A TRP 145.A N SER 143.A OG no hydrogen 3.253 N/A ARG 146.A NE ASP 123.A OD2 no hydrogen 2.653 N/A ARG 146.A NH1 SER 143.A O no hydrogen 3.191 N/A ARG 146.A NH1 TRP 145.A O no hydrogen 2.619 N/A ARG 146.A NH2 ASP 123.A OD2 no hydrogen 3.298 N/A ILE 148.A N LEU 163.A O no hydrogen 2.909 N/A HIS 149.A N TYR 136.A O no hydrogen 2.767 N/A MET 151.A N LEU 134.A O no hydrogen 2.917 N/A ASP 152.A N GLN 157.A O no hydrogen 2.749 N/A VAL 153.A N ARG 132.A O no hydrogen 3.197 N/A SER 155.A N ASP 152.A OD2 no hydrogen 2.854 N/A SER 155.A OG ASP 152.A OD2 no hydrogen 2.801 N/A LYS 156.A N ASP 152.A O no hydrogen 2.595 N/A LYS 156.A NZ GLU 106.A OE1 no hydrogen 2.981 N/A GLN 157.A N SER 155.A OG no hydrogen 3.231 N/A LEU 159.A N LEU 150.A O no hydrogen 2.687 N/A LEU 163.A N ILE 148.A O no hydrogen 2.894 N/A LYS 164.A N GLN 207.A OE1 no hydrogen 2.878 N/A LYS 164.A NZ GLU 147.A OE2 no hydrogen 2.817 N/A VAL 166.A N ARG 146.A O no hydrogen 3.143 N/A SER 169.A OG GLY 170.A O no hydrogen 2.636 N/A SER 172.A N PHE 180.A O no hydrogen 3.229 N/A TRP 173.A NE1 SER 126.A O no hydrogen 2.952 N/A LEU 174.A N GLY 178.A O no hydrogen 2.936 N/A GLY 175.A N ASP 233.A OD1 no hydrogen 2.878 N/A GLU 177.A N LEU 174.A O no hydrogen 3.151 N/A PHE 179.A N HIS 201.A O no hydrogen 3.092 N/A PHE 180.A N SER 172.A O no hydrogen 2.870 N/A TYR 181.A N TYR 199.A O no hydrogen 3.021 N/A TYR 181.A OH ASP 210.A OD2 no hydrogen 2.742 N/A SER 182.A N SER 169.A OG no hydrogen 2.755 N/A SER 182.A OG VAL 225.A O no hydrogen 2.649 N/A SER 183.A N LYS 197.A O no hydrogen 2.909 N/A SER 183.A OG ASP 165.A O no hydrogen 2.673 N/A SER 183.A OG ASP 185.A O no hydrogen 3.492 N/A TYR 184.A OH ARG 223.A O no hydrogen 2.619 N/A ASP 185.A N SER 183.A OG no hydrogen 3.279 N/A SER 190.A OG GLY 189.A O no hydrogen 2.533 N/A GLN 195.A N THR 193.A OG1 no hydrogen 3.411 N/A HIS 196.A N HIS 222.A O no hydrogen 2.988 N/A HIS 196.A NE2 LYS 167.A O no hydrogen 2.885 N/A LYS 197.A N SER 183.A O no hydrogen 2.799 N/A LYS 197.A NZ TYR 184.A O no hydrogen 2.977 N/A LYS 197.A NZ GLN 195.A O no hydrogen 2.936 N/A VAL 198.A N PHE 214.A O no hydrogen 2.779 N/A TYR 199.A N TYR 181.A O no hydrogen 2.946 N/A PHE 200.A N ARG 211.A O no hydrogen 3.087 N/A HIS 201.A N PHE 179.A O no hydrogen 2.838 N/A HIS 201.A ND1 ASP 210.A OD1 no hydrogen 2.599 N/A HIS 201.A NE2 GLU 160.A OE1 no hydrogen 2.973 N/A ARG 202.A NH1 GLU 177.A OE1 no hydrogen 2.919 N/A LEU 203.A N GLU 177.A O no hydrogen 2.935 N/A GLY 204.A N GLU 160.A OE2 no hydrogen 2.460 N/A THR 205.A OG1 ARG 202.A O no hydrogen 2.507 N/A GLN 207.A NE2 LYS 164.A O no hydrogen 3.077 N/A GLN 207.A NE2 TYR 181.A OH no hydrogen 3.307 N/A ASP 209.A N ALA 206.A O no hydrogen 2.908 N/A ASP 210.A N GLN 207.A O no hydrogen 2.794 N/A VAL 213.A N VAL 198.A O no hydrogen 2.810 N/A PHE 214.A N VAL 198.A O no hydrogen 3.339 N/A GLY 215.A N GLN 220.A OE1 no hydrogen 2.944 N/A GLN 220.A N ILE 217.A O no hydrogen 2.750 N/A HIS 221.A N PRO 218.A O no hydrogen 3.299 N/A HIS 221.A NE2 ALA 216.A O no hydrogen 2.818 N/A HIS 222.A ND1 GLN 220.A O no hydrogen 2.760 N/A ARG 223.A NH1 ASN 242.A O no hydrogen 2.800 N/A TYR 224.A N ALA 241.A O no hydrogen 2.830 N/A VAL 225.A N HIS 196.A ND1 no hydrogen 2.916 N/A GLY 226.A N SER 239.A O no hydrogen 2.952 N/A THR 228.A N LEU 237.A O no hydrogen 2.811 N/A VAL 229.A N SER 172.A OG no hydrogen 2.736 N/A THR 230.A N PHE 235.A O no hydrogen 2.950 N/A THR 230.A OG1 ASP 232.A OD1 no hydrogen 2.825 N/A THR 230.A OG1 PHE 235.A O no hydrogen 3.539 N/A ASP 233.A N THR 230.A O no hydrogen 2.737 N/A ARG 234.A N ASP 232.A OD1 no hydrogen 2.917 N/A ARG 234.A NE ASP 253.A OD1 no hydrogen 3.566 N/A ARG 234.A NH2 ASP 253.A OD2 no hydrogen 3.151 N/A PHE 235.A N THR 230.A OG1 no hydrogen 3.008 N/A LEU 236.A N LYS 252.A O no hydrogen 2.938 N/A LEU 237.A N THR 228.A O no hydrogen 2.732 N/A ILE 238.A N TYR 250.A O no hydrogen 2.951 N/A SER 239.A N GLY 226.A O no hydrogen 2.889 N/A ALA 240.A N ARG 248.A O no hydrogen 3.026 N/A ALA 241.A N TYR 224.A O no hydrogen 2.744 N/A SER 245.A N SER 243.A OG no hydrogen 3.158 N/A GLY 246.A N ASP 271.A OD1 no hydrogen 2.758 N/A ASN 247.A N ALA 270.A O no hydrogen 3.052 N/A ASN 247.A ND2 ARG 248.A O no hydrogen 2.926 N/A ASN 247.A ND2 VAL 272.A O no hydrogen 3.034 N/A ARG 248.A N ALA 240.A O no hydrogen 2.775 N/A ARG 248.A NE GLY 266.A O no hydrogen 2.772 N/A ARG 248.A NH1 HIS 222.A NE2 no hydrogen 2.922 N/A LEU 249.A N GLN 265.A O no hydrogen 3.045 N/A TYR 250.A N ILE 238.A O no hydrogen 2.846 N/A VAL 251.A N LEU 262.A O no hydrogen 2.854 N/A LYS 252.A N LEU 236.A O no hydrogen 2.926 N/A LEU 254.A N ARG 234.A O no hydrogen 2.774 N/A SER 255.A N ASP 253.A OD1 no hydrogen 2.859 N/A SER 255.A OG ASP 253.A OD1 no hydrogen 2.513 N/A SER 255.A OG ASP 253.A OD2 no hydrogen 3.456 N/A GLN 256.A N ASP 253.A O no hydrogen 3.275 N/A GLN 256.A NE2 ASP 253.A OD2 no hydrogen 2.860 N/A LEU 262.A N VAL 251.A O no hydrogen 2.831 N/A VAL 264.A N LEU 249.A O no hydrogen 2.718 N/A GLN 265.A N LEU 249.A O no hydrogen 3.216 N/A ASP 269.A N ASP 267.A OD1 no hydrogen 2.843 N/A ASP 271.A N ASN 287.A OD1 no hydrogen 2.880 N/A VAL 272.A N ASN 247.A OD1 no hydrogen 3.008 N/A SER 273.A N LEU 285.A O no hydrogen 2.872 N/A VAL 275.A N TYR 283.A O no hydrogen 2.818 N/A ASN 277.A ND2 ASP 232.A OD2 no hydrogen 2.938 N/A ASN 277.A ND2 GLY 279.A O no hydrogen 2.987 N/A LYS 278.A N THR 281.A O no hydrogen 3.013 N/A LYS 278.A NZ GLU 346.A OE2 no hydrogen 2.926 N/A SER 280.A OG ASP 299.A OD1 no hydrogen 2.505 N/A THR 281.A N LYS 278.A O no hydrogen 3.178 N/A LEU 282.A N VAL 298.A O no hydrogen 2.814 N/A TYR 283.A N ASP 276.A O no hydrogen 2.846 N/A TYR 283.A OH TYR 345.A O no hydrogen 2.463 N/A LEU 284.A N VAL 296.A O no hydrogen 2.755 N/A LEU 285.A N SER 273.A O no hydrogen 2.923 N/A THR 286.A N ARG 294.A O no hydrogen 3.101 N/A THR 286.A OG1 ASP 271.A O no hydrogen 2.759 N/A ASN 287.A N ASP 271.A O no hydrogen 3.195 N/A ARG 288.A N THR 286.A OG1 no hydrogen 3.000 N/A ARG 288.A NH1 ASP 267.A OD1 no hydrogen 3.231 N/A ARG 288.A NH1 ASP 267.A OD2 no hydrogen 3.531 N/A ARG 288.A NH2 ASP 267.A OD2 no hydrogen 3.304 N/A ALA 290.A N ASN 287.A O no hydrogen 2.997 N/A ASN 292.A N GLU 314.A OE1 no hydrogen 2.988 N/A ASN 292.A ND2 ARG 315.A O no hydrogen 3.076 N/A ARG 293.A N ALA 290.A O no hydrogen 2.795 N/A ARG 293.A NE LEU 319.A O no hydrogen 2.919 N/A ARG 293.A NH2 LEU 319.A O no hydrogen 2.818 N/A ARG 294.A N THR 286.A O no hydrogen 2.990 N/A ARG 294.A NE ARG 288.A O no hydrogen 3.174 N/A ARG 294.A NH1 ASP 310.A OD1 no hydrogen 2.777 N/A ARG 294.A NH2 ARG 288.A O no hydrogen 2.777 N/A LEU 295.A N ILE 312.A O no hydrogen 3.020 N/A VAL 296.A N LEU 284.A O no hydrogen 2.812 N/A THR 297.A N ARG 309.A O no hydrogen 2.943 N/A VAL 298.A N LEU 282.A O no hydrogen 3.160 N/A ALA 300.A N SER 280.A O no hydrogen 2.742 N/A ALA 301.A N ASP 299.A OD2 no hydrogen 3.038 N/A ASN 302.A N ASP 299.A O no hydrogen 3.125 N/A HIS 307.A N GLY 304.A O no hydrogen 2.896 N/A TRP 308.A N PRO 305.A O no hydrogen 3.373 N/A TRP 308.A NE1 PRO 303.A O no hydrogen 2.771 N/A ARG 309.A N THR 297.A O no hydrogen 3.034 N/A ARG 309.A NH1 ALA 306.A O no hydrogen 3.224 N/A ARG 309.A NH1 TRP 308.A O no hydrogen 2.654 N/A LEU 311.A N LEU 295.A O no hydrogen 2.793 N/A ILE 312.A N LEU 295.A O no hydrogen 2.994 N/A ARG 315.A NH1 GLU 341.A OE1 no hydrogen 3.200 N/A ARG 315.A NH2 GLU 341.A OE1 no hydrogen 2.995 N/A ARG 315.A NH2 GLU 341.A OE2 no hydrogen 2.623 N/A LEU 319.A N ASN 292.A O no hydrogen 2.905 N/A THR 320.A N GLU 331.A O no hydrogen 3.020 N/A HIS 322.A N PHE 329.A O no hydrogen 3.025 N/A HIS 322.A NE2 GLU 331.A OE1 no hydrogen 2.816 N/A GLY 324.A N TYR 327.A O no hydrogen 2.814 N/A SER 325.A N LYS 367.A O no hydrogen 2.798 N/A SER 325.A OG ASP 370.A O no hydrogen 2.759 N/A TYR 327.A N GLY 324.A O no hydrogen 2.781 N/A LEU 328.A N PHE 343.A O no hydrogen 2.876 N/A PHE 329.A N HIS 322.A O no hydrogen 2.671 N/A ALA 330.A N GLU 341.A O no hydrogen 2.778 N/A GLU 331.A N THR 320.A O no hydrogen 2.755 N/A TYR 332.A N ARG 339.A O no hydrogen 2.896 N/A VAL 334.A N THR 337.A O no hydrogen 2.709 N/A THR 337.A N VAL 334.A O no hydrogen 2.941 N/A THR 337.A OG1 VAL 334.A O no hydrogen 3.025 N/A ALA 338.A N GLY 359.A O no hydrogen 2.864 N/A ARG 339.A N TYR 332.A O no hydrogen 3.156 N/A ARG 339.A NH1 THR 337.A OG1 no hydrogen 2.864 N/A ARG 339.A NH1 ALA 338.A O no hydrogen 2.961 N/A GLU 341.A N ALA 330.A O no hydrogen 2.856 N/A GLN 342.A N ARG 351.A O no hydrogen 2.911 N/A GLN 342.A NE2 PRO 391.A O no hydrogen 3.015 N/A PHE 343.A N LEU 328.A O no hydrogen 2.797 N/A ASP 344.A N LYS 348.A O no hydrogen 3.102 N/A TYR 345.A OH ASP 276.A OD2 no hydrogen 2.557 N/A GLU 346.A N ASP 344.A OD1 no hydrogen 2.775 N/A GLY 347.A N ASP 344.A O no hydrogen 3.012 N/A LYS 348.A N ASP 344.A OD1 no hydrogen 2.934 N/A ARG 349.A NE GLU 341.A OE1 no hydrogen 3.506 N/A VAL 350.A N GLN 342.A O no hydrogen 2.633 N/A ARG 351.A NH1 GLN 342.A OE1 no hydrogen 2.857 N/A ARG 351.A NH1 PRO 391.A O no hydrogen 2.892 N/A ARG 351.A NH1 LYS 392.A O no hydrogen 3.444 N/A ARG 351.A NH2 LYS 392.A O no hydrogen 2.655 N/A VAL 353.A N VAL 340.A O no hydrogen 2.816 N/A SER 360.A N GLU 378.A O no hydrogen 2.902 N/A SER 360.A OG PRO 458.A O no hydrogen 2.596 N/A SER 362.A N GLY 376.A O no hydrogen 3.038 N/A PHE 364.A N TYR 374.A O no hydrogen 3.053 N/A ASN 365.A ND2 HIS 322.A ND1 no hydrogen 2.721 N/A GLY 366.A N SER 323.A O no hydrogen 3.092 N/A LYS 367.A N ASP 370.A OD2 no hydrogen 2.541 N/A LYS 367.A NZ ARG 77.A O no hydrogen 2.946 N/A LYS 367.A NZ GLU 78.A OE1 no hydrogen 3.177 N/A HIS 368.A N GLU 231.A OE2 no hydrogen 2.645 N/A HIS 368.A NE2 ASP 276.A OD2 no hydrogen 2.815 N/A ASP 370.A N LYS 367.A O no hydrogen 3.494 N/A LEU 373.A N PHE 389.A O no hydrogen 3.013 N/A PHE 375.A N TYR 387.A O no hydrogen 3.018 N/A GLY 376.A N SER 362.A O no hydrogen 2.721 N/A PHE 377.A N THR 385.A O no hydrogen 2.901 N/A GLU 378.A N SER 360.A O no hydrogen 3.205 N/A ASN 379.A N GLN 382.A O no hydrogen 3.083 N/A GLN 382.A N ASN 379.A O no hydrogen 3.143 N/A THR 385.A N PHE 377.A O no hydrogen 2.814 N/A THR 385.A OG1 GLN 382.A OE1 no hydrogen 3.109 N/A THR 385.A OG1 PRO 383.A O no hydrogen 2.825 N/A LEU 386.A N ARG 400.A O no hydrogen 3.048 N/A TYR 387.A N PHE 375.A O no hydrogen 2.832 N/A TYR 387.A OH GLN 382.A OE1 no hydrogen 3.226 N/A ARG 388.A N SER 397.A O no hydrogen 2.671 N/A ARG 388.A NE GLU 390.A OE2 no hydrogen 2.653 N/A ARG 388.A NH2 GLU 390.A OE1 no hydrogen 3.247 N/A PHE 389.A N LEU 373.A O no hydrogen 2.719 N/A GLU 390.A N ALA 395.A O no hydrogen 2.875 N/A GLY 394.A N GLU 390.A O no hydrogen 2.591 N/A ALA 395.A N SER 393.A OG no hydrogen 3.136 N/A SER 397.A N ARG 388.A O no hydrogen 2.877 N/A TYR 399.A N LEU 386.A O no hydrogen 2.840 N/A ARG 400.A N LEU 386.A O no hydrogen 3.049 N/A ARG 400.A NH1 TYR 399.A O no hydrogen 2.615 N/A ALA 404.A N SER 402.A OG no hydrogen 3.111 N/A PHE 406.A N ALA 404.A O no hydrogen 2.483 N/A GLU 409.A N GLU 409.A OE1 no hydrogen 2.659 N/A ASP 410.A N LYS 407.A O no hydrogen 3.005 N/A TYR 411.A N PRO 408.A O no hydrogen 3.032 N/A TYR 411.A OH ASP 469.A OD1 no hydrogen 2.537 N/A VAL 412.A N TYR 432.A O no hydrogen 2.846 N/A SER 413.A OG SER 431.A OG no hydrogen 3.053 N/A GLU 414.A N ILE 430.A O no hydrogen 2.940 N/A ARG 416.A N LEU 428.A O no hydrogen 2.821 N/A ARG 416.A NH1 GLU 515.A OE1 no hydrogen 3.324 N/A TYR 418.A N VAL 426.A O no hydrogen 3.093 N/A TYR 418.A OH ASP 504.A O no hydrogen 2.795 N/A SER 420.A N THR 424.A O no hydrogen 2.678 N/A SER 420.A OG ASP 504.A OD1 no hydrogen 2.493 N/A LYS 421.A N SER 420.A OG no hydrogen 2.614 N/A THR 424.A N ASP 422.A OD1 no hydrogen 2.896 N/A THR 424.A OG1 ASP 422.A OD1 no hydrogen 2.600 N/A VAL 426.A N TYR 418.A O no hydrogen 2.864 N/A LEU 428.A N ARG 416.A O no hydrogen 2.826 N/A ILE 429.A N VAL 476.A O no hydrogen 2.959 N/A ILE 430.A N GLU 414.A O no hydrogen 3.050 N/A SER 431.A N TYR 474.A O no hydrogen 2.870 N/A SER 431.A OG SER 413.A OG no hydrogen 3.053 N/A TYR 432.A N VAL 412.A O no hydrogen 2.964 N/A TYR 432.A OH GLU 414.A OE2 no hydrogen 2.420 N/A ARG 433.A NH1 ASP 469.A OD1 no hydrogen 2.511 N/A LYS 434.A N ASP 410.A O no hydrogen 2.852 N/A ASP 439.A N LYS 437.A O no hydrogen 2.664 N/A GLY 440.A N GLY 516.A O no hydrogen 2.576 N/A SER 441.A N ASP 439.A OD2 no hydrogen 3.247 N/A SER 441.A OG ASP 439.A OD1 no hydrogen 3.027 N/A SER 441.A OG ASP 439.A OD2 no hydrogen 2.879 N/A ASN 442.A ND2 LYS 437.A O no hydrogen 3.157 N/A ASN 442.A ND2 TYR 517.A O no hydrogen 2.949 N/A THR 444.A N ARG 522.A O no hydrogen 2.676 N/A THR 444.A OG1 ASN 442.A O no hydrogen 2.967 N/A ILE 445.A N VAL 473.A O no hydrogen 3.017 N/A LEU 446.A N ALA 524.A O no hydrogen 2.704 N/A TYR 447.A N ALA 475.A O no hydrogen 2.750 N/A GLY 448.A N ARG 526.A O no hydrogen 3.412 N/A PHE 452.A N ASP 573.A OD1 no hydrogen 2.884 N/A ASP 453.A N GLY 481.A O no hydrogen 3.226 N/A VAL 454.A N GLY 451.A O no hydrogen 2.934 N/A LEU 456.A N GLU 484.A OE2 no hydrogen 3.375 N/A PHE 460.A N GLU 378.A OE1 no hydrogen 2.728 N/A SER 463.A OG SER 654.A OG no hydrogen 2.792 N/A VAL 464.A N SER 461.A OG no hydrogen 3.304 N/A ALA 465.A N SER 461.A O no hydrogen 2.861 N/A ASN 466.A N VAL 462.A O no hydrogen 2.893 N/A ASN 466.A ND2 SER 66.A OG no hydrogen 3.108 N/A ASN 466.A ND2 VAL 462.A O no hydrogen 2.715 N/A TRP 467.A N SER 463.A O no hydrogen 2.986 N/A TRP 467.A NE1 VAL 473.A O no hydrogen 2.720 N/A LEU 468.A N VAL 464.A O no hydrogen 2.902 N/A ASP 469.A N ALA 465.A O no hydrogen 2.939 N/A LEU 470.A N TRP 467.A O no hydrogen 2.999 N/A GLY 471.A N LEU 468.A O no hydrogen 2.886 N/A GLY 472.A N TRP 467.A O no hydrogen 3.127 N/A VAL 473.A N PRO 443.A O no hydrogen 3.014 N/A TYR 474.A N SER 431.A O no hydrogen 3.000 N/A ALA 475.A N ILE 445.A O no hydrogen 2.963 N/A VAL 476.A N ILE 429.A O no hydrogen 2.965 N/A ALA 477.A N TYR 447.A O no hydrogen 3.078 N/A ASN 478.A N PRO 427.A O no hydrogen 3.163 N/A ARG 480.A N ASP 504.A OD2 no hydrogen 3.163 N/A ARG 480.A NE ASP 504.A OD1 no hydrogen 3.414 N/A ARG 480.A NE ASP 504.A OD2 no hydrogen 2.882 N/A ARG 480.A NH1 ASP 422.A OD2 no hydrogen 2.805 N/A ARG 480.A NH2 ASP 422.A OD2 no hydrogen 3.123 N/A ARG 480.A NH2 ASP 504.A OD1 no hydrogen 2.676 N/A GLY 481.A N TRP 489.A O no hydrogen 2.868 N/A GLY 483.A N VAL 454.A O no hydrogen 3.120 N/A GLU 484.A N GLU 484.A OE1 no hydrogen 2.762 N/A TYR 485.A OH ASP 335.A OD1 no hydrogen 2.518 N/A TRP 489.A N GLY 486.A O no hydrogen 3.225 N/A TRP 489.A NE1 LEU 479.A O no hydrogen 3.085 N/A HIS 490.A N GLY 486.A O no hydrogen 3.363 N/A HIS 490.A NE2 ASP 573.A OD1 no hydrogen 3.281 N/A HIS 490.A NE2 ASP 573.A OD2 no hydrogen 3.146 N/A LEU 491.A N GLN 487.A O no hydrogen 2.940 N/A ALA 492.A N ALA 488.A O no hydrogen 3.294 N/A GLY 493.A N HIS 490.A O no hydrogen 2.986 N/A THR 494.A N LEU 491.A O no hydrogen 3.183 N/A THR 494.A OG1 LEU 491.A O no hydrogen 3.117 N/A GLN 495.A N ASP 573.A O no hydrogen 2.824 N/A GLN 495.A NE2 TYR 572.A O no hydrogen 3.234 N/A ASN 497.A N THR 494.A O no hydrogen 2.779 N/A LYS 498.A N GLN 495.A O no hydrogen 3.244 N/A LYS 498.A NZ GLY 450.A O no hydrogen 3.025 N/A GLN 499.A N TYR 586.A OH no hydrogen 3.000 N/A GLN 499.A NE2 ASP 503.A OD1 no hydrogen 3.268 N/A ASN 500.A N ASN 497.A O no hydrogen 2.802 N/A ASN 500.A ND2 ALA 492.A O no hydrogen 2.845 N/A VAL 501.A N LYS 498.A O no hydrogen 2.803 N/A ASP 503.A N GLN 499.A O no hydrogen 2.967 N/A ASP 504.A N ASN 500.A O no hydrogen 2.956 N/A PHE 505.A N VAL 501.A O no hydrogen 3.079 N/A ILE 506.A N PHE 502.A O no hydrogen 2.728 N/A ALA 507.A N ASP 503.A O no hydrogen 2.689 N/A ALA 508.A N ASP 504.A O no hydrogen 2.923 N/A ALA 509.A N PHE 505.A O no hydrogen 3.097 N/A GLU 510.A N ILE 506.A O no hydrogen 3.119 N/A TYR 511.A N ALA 507.A O no hydrogen 3.034 N/A LEU 512.A N ALA 508.A O no hydrogen 3.158 N/A LYS 513.A N GLU 510.A O no hydrogen 3.167 N/A LYS 513.A NZ THR 520.A OG1 no hydrogen 2.840 N/A LYS 513.A NZ LEU 545.A O no hydrogen 3.120 N/A ALA 514.A N GLU 510.A O no hydrogen 2.902 N/A GLU 515.A N TYR 511.A O no hydrogen 2.887 N/A GLY 516.A N LYS 513.A O no hydrogen 2.811 N/A TYR 517.A N LEU 512.A O no hydrogen 2.903 N/A TYR 517.A OH GLU 414.A OE2 no hydrogen 2.860 N/A THR 518.A N LEU 512.A O no hydrogen 3.226 N/A THR 518.A OG1 ASN 442.A O no hydrogen 2.732 N/A THR 518.A OG1 ARG 519.A O no hydrogen 3.453 N/A ARG 519.A N THR 518.A OG1 no hydrogen 2.694 N/A ARG 519.A NE ASP 521.A OD1 no hydrogen 2.734 N/A ARG 522.A N ARG 519.A O no hydrogen 2.544 N/A ARG 522.A NH1 SER 441.A O no hydrogen 2.627 N/A LEU 523.A N THR 520.A O no hydrogen 3.237 N/A ALA 524.A N THR 444.A O no hydrogen 2.755 N/A ILE 525.A N VAL 548.A O no hydrogen 3.085 N/A ARG 526.A N LEU 446.A O no hydrogen 2.759 N/A GLY 527.A N LEU 550.A O no hydrogen 3.478 N/A SER 529.A N ALA 552.A O no hydrogen 2.882 N/A ASN 530.A ND2 TYR 574.A OH no hydrogen 2.600 N/A GLY 531.A N GLY 528.A O no hydrogen 2.630 N/A LEU 533.A N SER 529.A O no hydrogen 3.044 N/A LEU 534.A N ASN 530.A O no hydrogen 3.141 N/A VAL 535.A N GLY 531.A O no hydrogen 3.101 N/A GLY 536.A N GLY 532.A O no hydrogen 2.840 N/A ALA 537.A N LEU 533.A O no hydrogen 2.855 N/A VAL 538.A N LEU 534.A O no hydrogen 3.021 N/A MET 539.A N VAL 535.A O no hydrogen 2.842 N/A THR 540.A N GLY 536.A O no hydrogen 3.236 N/A THR 540.A N ALA 537.A O no hydrogen 3.067 N/A THR 540.A OG1 GLY 536.A O no hydrogen 2.766 N/A THR 540.A OG1 ALA 537.A O no hydrogen 2.737 N/A GLN 541.A N ALA 537.A O no hydrogen 2.896 N/A ARG 542.A N VAL 538.A O no hydrogen 2.749 N/A ARG 542.A NE ASP 544.A OD1 no hydrogen 3.315 N/A LEU 545.A N ARG 542.A O no hydrogen 3.040 N/A ARG 547.A N LEU 523.A O no hydrogen 2.995 N/A ARG 547.A NH1 ARG 547.A O no hydrogen 2.946 N/A ARG 547.A NH1 SER 604.A OG no hydrogen 2.967 N/A VAL 548.A N LEU 523.A O no hydrogen 3.208 N/A ALA 549.A N SER 604.A O no hydrogen 2.784 N/A LEU 550.A N ILE 525.A O no hydrogen 2.923 N/A ALA 552.A N GLY 527.A O no hydrogen 2.861 N/A VAL 553.A N THR 608.A O no hydrogen 2.805 N/A VAL 555.A N SER 529.A O no hydrogen 3.346 N/A LEU 556.A N HIS 620.A ND1 no hydrogen 2.964 N/A ASP 557.A N HIS 620.A ND1 no hydrogen 2.884 N/A MET 558.A N SER 591.A OG no hydrogen 3.011 N/A LEU 559.A N ASP 557.A OD1 no hydrogen 2.981 N/A ARG 560.A N ASP 557.A OD1 no hydrogen 2.942 N/A ARG 560.A NE GLU 28.A OE2 no hydrogen 2.825 N/A ARG 560.A NH2 GLU 28.A OE1 no hydrogen 2.944 N/A ARG 560.A NH2 GLU 28.A OE2 no hydrogen 3.566 N/A TYR 561.A OH GLY 575.A O no hydrogen 2.463 N/A THR 563.A N ARG 560.A O no hydrogen 3.020 N/A THR 563.A OG1 ARG 560.A O no hydrogen 2.840 N/A PHE 564.A N TYR 561.A O no hydrogen 3.167 N/A GLY 567.A N PHE 564.A O no hydrogen 3.222 N/A TRP 570.A N GLY 567.A O no hydrogen 3.120 N/A ALA 571.A N THR 568.A O no hydrogen 3.181 N/A TYR 574.A N TRP 570.A O no hydrogen 3.139 N/A GLY 575.A N ALA 571.A O no hydrogen 2.690 N/A THR 576.A N ASP 579.A OD2 no hydrogen 2.760 N/A THR 576.A OG1 ASP 579.A OD1 no hydrogen 2.516 N/A SER 577.A OG LEU 559.A O no hydrogen 2.948 N/A ASP 579.A N THR 576.A O no hydrogen 2.926 N/A ASP 579.A N THR 576.A OG1 no hydrogen 3.186 N/A MET 583.A N SER 580.A OG no hydrogen 3.107 N/A PHE 584.A N SER 580.A O no hydrogen 2.855 N/A ASP 585.A N GLU 581.A O no hydrogen 3.082 N/A TYR 586.A N ALA 582.A O no hydrogen 3.175 N/A LEU 587.A N MET 583.A O no hydrogen 2.843 N/A LYS 588.A N PHE 584.A O no hydrogen 2.789 N/A GLY 589.A N ASP 585.A O no hydrogen 2.978 N/A TYR 590.A N LEU 587.A O no hydrogen 3.317 N/A SER 591.A N LEU 587.A O no hydrogen 2.838 N/A SER 591.A OG LEU 556.A O no hydrogen 3.401 N/A LEU 593.A N LEU 556.A O no hydrogen 3.060 N/A HIS 594.A NE2 ASP 557.A OD1 no hydrogen 3.348 N/A ASN 595.A N PRO 592.A O no hydrogen 3.069 N/A ASN 595.A ND2 LYS 588.A O no hydrogen 3.166 N/A ASN 595.A ND2 SER 591.A O no hydrogen 2.854 N/A ARG 597.A N TYR 602.A OH no hydrogen 2.685 N/A GLY 599.A N ASP 631.A O no hydrogen 3.143 N/A VAL 600.A N ARG 597.A O no hydrogen 3.341 N/A TYR 602.A N ASN 632.A OD1 no hydrogen 2.792 N/A SER 604.A N ARG 547.A O no hydrogen 2.919 N/A SER 604.A OG GLU 664.A OE1 no hydrogen 2.538 N/A THR 605.A N PRO 637.A O no hydrogen 2.944 N/A THR 605.A OG1 PRO 603.A O no hydrogen 2.963 N/A THR 605.A OG1 GLN 638.A OE1 no hydrogen 2.960 N/A MET 606.A N ALA 549.A O no hydrogen 3.212 N/A VAL 607.A N LEU 639.A O no hydrogen 2.716 N/A THR 608.A N PRO 551.A O no hydrogen 3.206 N/A THR 609.A N ARG 641.A O no hydrogen 3.284 N/A THR 609.A OG1 ALA 610.A O no hydrogen 2.943 N/A ASP 611.A N GLU 643.A O no hydrogen 2.843 N/A HIS 612.A ND1 ASP 30.A OD2 no hydrogen 2.726 N/A ARG 615.A NH2 SER 529.A OG no hydrogen 3.134 N/A VAL 616.A N ASN 613.A OD1 no hydrogen 2.935 N/A HIS 620.A N VAL 617.A O no hydrogen 3.344 N/A PHE 622.A N PRO 618.A O no hydrogen 2.821 N/A LYS 623.A N ALA 619.A O no hydrogen 2.981 N/A LYS 623.A NZ ASP 22.A OD1 no hydrogen 3.254 N/A LYS 623.A NZ ASP 22.A OD2 no hydrogen 2.983 N/A LYS 623.A NZ GLU 28.A OE2 no hydrogen 2.698 N/A LYS 623.A NZ ASP 557.A OD2 no hydrogen 2.776 N/A PHE 624.A N HIS 620.A O no hydrogen 2.964 N/A ALA 625.A N SER 621.A O no hydrogen 2.846 N/A ALA 626.A N PHE 622.A O no hydrogen 2.962 N/A THR 627.A N LYS 623.A O no hydrogen 3.020 N/A THR 627.A OG1 LYS 623.A O no hydrogen 2.729 N/A LEU 628.A N PHE 624.A O no hydrogen 2.976 N/A GLN 629.A N ALA 625.A O no hydrogen 3.010 N/A GLN 629.A NE2 GLN 42.A OE1 no hydrogen 2.919 N/A GLN 629.A NE2 GLN 638.A O no hydrogen 3.093 N/A ALA 630.A N ALA 626.A O no hydrogen 3.219 N/A ASP 631.A N THR 627.A O no hydrogen 2.884 N/A ASN 632.A N LEU 628.A O no hydrogen 2.986 N/A ALA 633.A N VAL 600.A O no hydrogen 3.052 N/A GLY 634.A N ASN 632.A OD1 no hydrogen 3.447 N/A GLN 638.A N TYR 3.A OH no hydrogen 2.682 N/A GLN 638.A NE2 PRO 603.A O no hydrogen 3.045 N/A GLN 638.A NE2 HIS 636.A O no hydrogen 3.226 N/A LEU 639.A N THR 605.A O no hydrogen 2.795 N/A ARG 641.A N VAL 607.A O no hydrogen 2.683 N/A ARG 641.A NE ASP 656.A OD2 no hydrogen 2.973 N/A ARG 641.A NH1 GLU 643.A OE2 no hydrogen 2.907 N/A ARG 641.A NH2 GLU 643.A OE2 no hydrogen 3.155 N/A ARG 641.A NH2 ASP 656.A OD2 no hydrogen 3.541 N/A GLU 643.A N THR 609.A O no hydrogen 2.823 N/A LYS 649.A NZ THR 644.A O no hydrogen 2.521 N/A LEU 650.A N PRO 646.A O no hydrogen 3.145 N/A ILE 651.A N VAL 647.A O no hydrogen 2.822 N/A GLU 652.A N ALA 648.A O no hydrogen 2.955 N/A GLN 653.A N LYS 649.A O no hydrogen 2.920 N/A SER 654.A N LEU 650.A O no hydrogen 3.064 N/A SER 654.A OG SER 463.A OG no hydrogen 2.792 N/A ALA 655.A N ILE 651.A O no hydrogen 3.053 N/A ASP 656.A N GLU 652.A O no hydrogen 3.086 N/A ILE 657.A N GLN 653.A O no hydrogen 3.091 N/A TYR 658.A N SER 654.A O no hydrogen 2.945 N/A ALA 659.A N ALA 655.A O no hydrogen 2.696 N/A PHE 660.A N ASP 656.A O no hydrogen 2.891 N/A THR 661.A N ILE 657.A O no hydrogen 2.790 N/A THR 661.A OG1 ILE 657.A O no hydrogen 2.807 N/A LEU 662.A N TYR 658.A O no hydrogen 2.920 N/A TYR 663.A N ALA 659.A O no hydrogen 2.807 N/A GLU 664.A N PHE 660.A O no hydrogen 2.831 N/A MET 665.A N LEU 662.A O no hydrogen 2.986 N/A GLY 666.A N TYR 663.A O no hydrogen 3.327 N/A TYR 667.A N LEU 662.A O no hydrogen 3.231 N/A ARG 672.A NH2 ASP 469.A O no hydrogen 3.273 N/A