Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2guf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A N ASP 33.A OD2 no hydrogen 3.062 N/A ASP 2.A N VAL 28.A O no hydrogen 3.122 N/A THR 7.A N SER 4.A O no hydrogen 3.411 N/A THR 7.A OG1 ASP 2.A OD1 no hydrogen 2.700 N/A THR 7.A OG1 ASP 2.A OD2 no hydrogen 3.177 N/A VAL 9.A N GLN 17.A O no hydrogen 2.715 N/A VAL 10.A N GLU 102.A OE1 no hydrogen 2.831 N/A THR 11.A OG1 GLU 102.A OE1 no hydrogen 2.581 N/A ARG 14.A NH2 VAL 111.A O no hydrogen 2.742 N/A PHE 15.A N ASN 13.A OD1 no hydrogen 2.776 N/A GLN 17.A N VAL 9.A O no hydrogen 2.956 N/A GLN 17.A NE2 THR 21.A OG1 no hydrogen 3.002 N/A ARG 19.A N THR 7.A O no hydrogen 2.752 N/A ARG 19.A NH1.A ASP 2.A O no hydrogen 2.769 N/A ARG 19.A NH1.A SER 4.A O no hydrogen 3.117 N/A ARG 19.A NH1.B SER 4.A O no hydrogen 3.360 N/A ARG 19.A NH2.A ASP 2.A O no hydrogen 2.962 N/A ARG 19.A NH2.A THR 26.A O no hydrogen 3.323 N/A ARG 19.A NH2.B THR 26.A O no hydrogen 2.730 N/A SER 20.A N PRO 5.A O no hydrogen 2.879 N/A THR 21.A N PRO 18.A O no hydrogen 2.857 N/A THR 21.A OG1 PRO 18.A O no hydrogen 2.602 N/A VAL 22.A N ARG 19.A O no hydrogen 2.958 N/A LEU 23.A N GLU 319.A OE1 no hydrogen 2.955 N/A THR 26.A OG1.A ALA 24.A O no hydrogen 3.253 N/A THR 27.A N TYR 103.A O no hydrogen 2.741 N/A VAL 29.A N VAL 101.A O no hydrogen 2.886 N/A THR 30.A N ASP 33.A OD1 no hydrogen 2.930 N/A THR 30.A OG1 ASP 33.A OD1 no hydrogen 3.166 N/A ARG 31.A NE ASP 35.A OD1 no hydrogen 3.186 N/A ARG 31.A NH1 ILE 95.A O no hydrogen 2.999 N/A ARG 31.A NH1 VAL 98.A O no hydrogen 2.606 N/A ASP 33.A N THR 30.A OG1 no hydrogen 3.252 N/A ILE 34.A N THR 30.A O no hydrogen 3.062 N/A ASP 35.A N ARG 31.A O no hydrogen 2.804 N/A ARG 36.A N GLN 32.A O no hydrogen 2.867 N/A ARG 36.A NE ASP 480.A OD1 no hydrogen 2.720 N/A ARG 36.A NE ASP 480.A OD2 no hydrogen 3.190 N/A ARG 36.A NH1 ASP 473.A OD1 no hydrogen 2.818 N/A ARG 36.A NH2 ASP 473.A OD1 no hydrogen 3.000 N/A ARG 36.A NH2 ASP 480.A OD1 no hydrogen 3.527 N/A ARG 36.A NH2 ASP 480.A OD2 no hydrogen 2.700 N/A TRP 37.A N ASP 33.A O no hydrogen 2.828 N/A GLN 38.A N ILE 34.A O no hydrogen 2.785 N/A GLN 38.A NE2 ARG 36.A O no hydrogen 3.439 N/A GLN 38.A NE2 VAL 516.A O no hydrogen 3.605 N/A GLN 38.A NE2 GLY 528.A O no hydrogen 3.099 N/A SER 39.A N ILE 34.A O no hydrogen 3.372 N/A SER 39.A OG ASP 44.A OD2 no hydrogen 2.822 N/A ASN 43.A ND2 GLN 56.A OE1 no hydrogen 2.849 N/A ASN 43.A ND2 SER 58.A OG no hydrogen 3.166 N/A ASP 44.A N SER 41.A OG no hydrogen 3.029 N/A VAL 45.A N VAL 42.A O no hydrogen 2.980 N/A LEU 46.A N VAL 42.A O no hydrogen 2.913 N/A ARG 47.A N ASN 43.A O no hydrogen 2.922 N/A ARG 47.A NH1 ASP 44.A OD1 no hydrogen 3.022 N/A ARG 47.A NH1 ASP 513.A OD2 no hydrogen 2.880 N/A ARG 47.A NH2 ASP 513.A OD2 no hydrogen 3.190 N/A ARG 48.A N VAL 45.A O no hydrogen 3.161 N/A ARG 48.A NE ASP 44.A O no hydrogen 2.885 N/A ARG 48.A NE ASP 44.A OD2 no hydrogen 3.285 N/A ARG 48.A NH1 THR 484.A OG1 no hydrogen 2.995 N/A ARG 48.A NH2 ASP 44.A OD2 no hydrogen 2.734 N/A LEU 49.A N LEU 46.A O no hydrogen 2.946 N/A GLY 51.A N ASP 447.A OD1 no hydrogen 2.819 N/A VAL 52.A N LEU 49.A O no hydrogen 3.324 N/A ASP 53.A N PHE 61.A O no hydrogen 2.810 N/A THR 55.A N SER 59.A O no hydrogen 3.037 N/A SER 59.A N THR 55.A O no hydrogen 2.822 N/A PHE 61.A N ASP 53.A O no hydrogen 2.829 N/A ILE 62.A N THR 65.A O no hydrogen 2.785 N/A ARG 63.A N GLY 51.A O no hydrogen 3.004 N/A ARG 63.A NH1 GLU 384.A OE2 no hydrogen 2.995 N/A ARG 63.A NH2 GLU 384.A OE1 no hydrogen 2.800 N/A ARG 63.A NH2 GLU 430.A OE1 no hydrogen 2.809 N/A THR 65.A N ILE 62.A O no hydrogen 3.281 N/A ALA 67.A N ILE 60.A O no hydrogen 3.238 N/A SER 68.A N ASN 66.A OD1 no hydrogen 3.135 N/A SER 68.A OG ASN 66.A OD1 no hydrogen 2.561 N/A HIS 69.A N ASN 66.A O no hydrogen 2.929 N/A HIS 69.A ND1 ASN 66.A O no hydrogen 3.018 N/A HIS 69.A NE2 GLU 378.A OE2 no hydrogen 2.468 N/A VAL 70.A N ALA 67.A O no hydrogen 2.924 N/A LEU 71.A N GLY 119.A O no hydrogen 2.954 N/A LEU 73.A N VAL 121.A O no hydrogen 2.858 N/A ILE 74.A N VAL 77.A O no hydrogen 2.723 N/A ASP 75.A N ILE 123.A O no hydrogen 2.858 N/A GLY 76.A N ASN 122.A OD1 no hydrogen 2.916 N/A VAL 77.A N ILE 74.A O no hydrogen 2.839 N/A ARG 78.A NH1 SER 114.A O no hydrogen 3.056 N/A ARG 78.A NH2 SER 114.A O no hydrogen 3.199 N/A LEU 79.A N VAL 72.A O no hydrogen 2.918 N/A ALA 82.A N ASN 80.A OD1 no hydrogen 3.077 N/A GLY 86.A N GLY 83.A O no hydrogen 2.782 N/A ALA 88.A N SER 85.A O no hydrogen 3.090 N/A ASP 89.A N GLY 86.A O no hydrogen 3.163 N/A LEU 90.A N SER 87.A O no hydrogen 2.977 N/A SER 91.A N ALA 88.A O no hydrogen 3.320 N/A SER 91.A OG ALA 88.A O no hydrogen 3.003 N/A GLN 92.A N ASP 89.A O no hydrogen 2.715 N/A PHE 93.A N LEU 90.A O no hydrogen 3.077 N/A LEU 97.A N PRO 94.A O no hydrogen 3.118 N/A VAL 98.A N ILE 95.A O no hydrogen 3.173 N/A GLN 99.A N ILE 124.A O no hydrogen 2.814 N/A ARG 100.A N ILE 124.A O no hydrogen 2.965 N/A ARG 100.A NE GLU 102.A OE2 no hydrogen 2.991 N/A ARG 100.A NH2 GLU 102.A OE2 no hydrogen 3.441 N/A VAL 101.A N VAL 29.A O no hydrogen 2.966 N/A GLU 102.A N ASN 122.A O no hydrogen 2.840 N/A TYR 103.A N THR 27.A O no hydrogen 2.855 N/A TYR 103.A OH PRO 50.A O no hydrogen 2.775 N/A ILE 104.A N VAL 120.A O no hydrogen 2.986 N/A ARG 105.A N PRO 25.A O no hydrogen 2.888 N/A ARG 105.A NE GLU 430.A OE1 no hydrogen 2.723 N/A ARG 105.A NH1 THR 27.A OG1 no hydrogen 2.752 N/A ARG 105.A NH2 GLU 430.A OE2 no hydrogen 2.829 N/A GLY 106.A N GLY 118.A O no hydrogen 2.751 N/A ARG 108.A N ALA 116.A O no hydrogen 2.903 N/A ARG 108.A NH1 ALA 12.A O no hydrogen 2.839 N/A SER 109.A OG GLY 113.A O no hydrogen 2.833 N/A SER 109.A OG TYR 358.A O no hydrogen 3.393 N/A VAL 111.A N ARG 108.A O no hydrogen 3.305 N/A TYR 112.A N ARG 108.A O no hydrogen 2.978 N/A TYR 112.A OH THR 11.A O no hydrogen 2.471 N/A GLY 113.A N SER 109.A O no hydrogen 2.682 N/A SER 114.A OG ASP 115.A OD1 no hydrogen 2.646 N/A ASP 115.A N TYR 358.A O no hydrogen 2.877 N/A ILE 117.A N HIS 69.A O no hydrogen 3.056 N/A ILE 117.A N ASP 115.A O no hydrogen 2.791 N/A GLY 118.A N HIS 69.A O no hydrogen 2.639 N/A VAL 120.A N ILE 104.A O no hydrogen 2.899 N/A VAL 121.A N LEU 71.A O no hydrogen 2.755 N/A ASN 122.A N GLU 102.A O no hydrogen 2.731 N/A ASN 122.A ND2 THR 11.A OG1 no hydrogen 3.025 N/A ILE 123.A N LEU 73.A O no hydrogen 2.963 N/A ILE 124.A N ARG 100.A O no hydrogen 2.642 N/A THR 125.A N ASP 75.A OD1 no hydrogen 2.800 N/A THR 125.A OG1 ASP 75.A OD1 no hydrogen 3.242 N/A THR 125.A OG1 ASP 75.A OD2 no hydrogen 2.488 N/A THR 125.A OG1 TYR 179.A OH no hydrogen 3.255 N/A GLY 131.A N GLN 151.A O no hydrogen 2.857 N/A THR 132.A OG1 THR 150.A OG1 no hydrogen 2.726 N/A GLU 133.A N SER 149.A O no hydrogen 2.979 N/A ILE 134.A N TYR 549.A O no hydrogen 2.936 N/A SER 135.A N ASP 147.A O no hydrogen 2.842 N/A SER 135.A OG SER 548.A OG no hydrogen 3.278 N/A ALA 136.A N GLY 547.A O no hydrogen 3.134 N/A GLY 137.A N ASN 145.A O no hydrogen 2.830 N/A TRP 138.A N LEU 545.A O no hydrogen 2.800 N/A TRP 138.A NE1 TYR 146.A OH no hydrogen 2.971 N/A GLY 139.A N TYR 143.A O no hydrogen 3.150 N/A SER 140.A N TYR 543.A O no hydrogen 2.942 N/A SER 140.A OG TYR 543.A O no hydrogen 3.396 N/A TYR 143.A N GLY 139.A O no hydrogen 3.190 N/A TYR 143.A N SER 140.A O no hydrogen 3.412 N/A GLN 144.A N HIS 168.A O no hydrogen 2.751 N/A ASN 145.A N GLY 137.A O no hydrogen 2.825 N/A ASN 145.A ND2 ASP 165.A OD1 no hydrogen 2.838 N/A ASN 145.A ND2 TYR 166.A O no hydrogen 2.937 N/A TYR 146.A N TYR 166.A O no hydrogen 2.848 N/A TYR 146.A OH GLN 144.A OE1 no hydrogen 2.330 N/A ASP 147.A N SER 135.A O no hydrogen 2.925 N/A VAL 148.A N GLY 164.A O no hydrogen 3.104 N/A SER 149.A N GLU 133.A O no hydrogen 3.066 N/A THR 150.A N LEU 162.A O no hydrogen 2.983 N/A THR 150.A OG1 GLY 131.A O no hydrogen 3.135 N/A THR 150.A OG1 THR 132.A OG1 no hydrogen 2.726 N/A GLN 151.A N GLY 131.A O no hydrogen 2.817 N/A GLN 151.A NE2 ARG 127.A O no hydrogen 3.280 N/A GLN 152.A N VAL 160.A O no hydrogen 2.841 N/A GLN 153.A NE2 GLY 155.A O no hydrogen 3.136 N/A LEU 154.A N THR 158.A O no hydrogen 2.634 N/A THR 158.A N GLY 155.A O no hydrogen 3.339 N/A THR 158.A OG1 HIS 184.A ND1 no hydrogen 2.572 N/A ARG 159.A N GLU 183.A O no hydrogen 2.798 N/A ARG 159.A NE.B GLN 153.A OE1 no hydrogen 2.649 N/A ARG 159.A NH1.B GLU 183.A OE1 no hydrogen 3.263 N/A VAL 160.A N GLN 152.A O no hydrogen 2.976 N/A THR 161.A N ALA 181.A O no hydrogen 2.974 N/A THR 161.A OG1 GLN 151.A OE1 no hydrogen 2.875 N/A LEU 162.A N THR 150.A O no hydrogen 2.859 N/A LEU 163.A N TYR 179.A O no hydrogen 2.821 N/A GLY 164.A N VAL 148.A O no hydrogen 2.805 N/A ASP 165.A N THR 177.A O no hydrogen 2.882 N/A TYR 166.A N TYR 146.A O no hydrogen 2.792 N/A ALA 167.A N SER 175.A O no hydrogen 2.850 N/A HIS 168.A N GLN 144.A O no hydrogen 2.901 N/A HIS 168.A NE2 ASP 171.A O no hydrogen 2.739 N/A THR 169.A N PHE 173.A O no hydrogen 3.019 N/A HIS 170.A N ASN 141.A O no hydrogen 3.137 N/A PHE 173.A N THR 169.A O no hydrogen 2.724 N/A LEU 174.A N ARG 202.A O no hydrogen 2.847 N/A SER 175.A N ALA 167.A O no hydrogen 2.728 N/A LYS 176.A N ASP 200.A O no hydrogen 2.972 N/A THR 177.A N ASP 165.A O no hydrogen 2.924 N/A LEU 178.A N GLY 198.A O no hydrogen 2.980 N/A TYR 179.A N LEU 163.A O no hydrogen 2.884 N/A TYR 179.A OH THR 125.A OG1 no hydrogen 3.255 N/A GLY 180.A N GLY 196.A O no hydrogen 2.845 N/A ALA 181.A N THR 161.A O no hydrogen 2.928 N/A LEU 182.A N VAL 194.A O no hydrogen 2.685 N/A GLU 183.A N ARG 159.A O no hydrogen 2.764 N/A HIS 184.A N GLY 192.A O no hydrogen 2.930 N/A HIS 184.A ND1 THR 158.A OG1 no hydrogen 2.572 N/A ASN 185.A N LYS 157.A O no hydrogen 2.919 N/A THR 187.A N TRP 190.A O no hydrogen 3.171 N/A ALA 189.A N THR 187.A OG1 no hydrogen 2.990 N/A TRP 190.A N THR 187.A OG1 no hydrogen 2.952 N/A SER 191.A N ARG 220.A O no hydrogen 2.758 N/A GLY 192.A N HIS 184.A O no hydrogen 2.791 N/A PHE 193.A N GLY 218.A O no hydrogen 2.944 N/A VAL 194.A N LEU 182.A O no hydrogen 3.006 N/A ARG 195.A N ASP 216.A O no hydrogen 2.832 N/A GLY 196.A N GLY 180.A O no hydrogen 2.812 N/A TYR 197.A N SER 214.A O no hydrogen 2.867 N/A GLY 198.A N LEU 178.A O no hydrogen 3.055 N/A TYR 199.A N SER 212.A O no hydrogen 2.870 N/A ASP 200.A N LYS 176.A O no hydrogen 2.811 N/A ASN 201.A N LEU 210.A O no hydrogen 2.779 N/A ARG 202.A N LEU 174.A O no hydrogen 2.804 N/A THR 203.A N ARG 208.A O no hydrogen 2.849 N/A ASN 204.A N GLY 172.A O no hydrogen 2.820 N/A ASN 204.A ND2 ASP 171.A OD2 no hydrogen 3.197 N/A TYR 205.A N ASP 206.A O no hydrogen 2.775 N/A THR 207.A N TYR 242.A O no hydrogen 2.808 N/A THR 207.A OG1 ASN 204.A OD1 no hydrogen 3.165 N/A ARG 208.A N THR 203.A O no hydrogen 2.722 N/A ARG 208.A NE ASP 239.A OD1 no hydrogen 2.792 N/A ARG 208.A NH1 ASP 89.A OD2 no hydrogen 3.357 N/A ARG 208.A NH1 TYR 205.A OH no hydrogen 3.307 N/A ARG 208.A NH2 ASP 89.A OD1 no hydrogen 3.462 N/A ARG 208.A NH2 ASP 89.A OD2 no hydrogen 2.850 N/A ARG 208.A NH2 ASP 239.A OD2 no hydrogen 2.841 N/A LYS 209.A N TYR 240.A O no hydrogen 2.790 N/A LYS 209.A NZ TYR 242.A OH no hydrogen 3.174 N/A LEU 210.A N ASN 201.A O no hydrogen 2.915 N/A TYR 211.A N LYS 238.A O no hydrogen 2.860 N/A SER 212.A N TYR 199.A O no hydrogen 2.940 N/A GLN 213.A N HIS 236.A O no hydrogen 2.796 N/A SER 214.A N TYR 197.A O no hydrogen 2.738 N/A SER 214.A OG TYR 197.A OH no hydrogen 3.240 N/A SER 214.A OG ASP 216.A OD1 no hydrogen 3.542 N/A TRP 215.A N TYR 234.A O no hydrogen 2.614 N/A ASP 216.A N ARG 195.A O no hydrogen 2.758 N/A ALA 217.A N THR 232.A O no hydrogen 2.866 N/A GLY 218.A N PHE 193.A O no hydrogen 2.797 N/A LEU 219.A N LEU 230.A O no hydrogen 2.744 N/A ARG 220.A N SER 191.A O no hydrogen 2.675 N/A TYR 221.A N SER 228.A O no hydrogen 2.934 N/A ASN 222.A N ALA 189.A O no hydrogen 2.728 N/A GLY 223.A N ILE 226.A O no hydrogen 2.718 N/A LYS 227.A N ASN 268.A O no hydrogen 2.713 N/A SER 228.A N TYR 221.A O no hydrogen 2.973 N/A SER 228.A OG ALA 266.A O no hydrogen 3.480 N/A SER 228.A OG ASN 267.A OD1 no hydrogen 2.795 N/A GLN 229.A N ALA 266.A O no hydrogen 2.849 N/A LEU 230.A N LEU 219.A O no hydrogen 2.811 N/A ILE 231.A N GLN 264.A O no hydrogen 2.965 N/A THR 232.A N ALA 217.A O no hydrogen 2.778 N/A SER 233.A N THR 262.A O no hydrogen 3.029 N/A SER 233.A OG ASP 216.A OD2 no hydrogen 2.703 N/A TYR 234.A N TRP 215.A O no hydrogen 2.776 N/A SER 235.A N GLN 260.A O no hydrogen 2.947 N/A HIS 236.A N GLN 213.A O no hydrogen 2.716 N/A HIS 236.A NE2 GLU 257.A OE2 no hydrogen 2.455 N/A SER 237.A N MET 258.A O no hydrogen 2.899 N/A LYS 238.A N TYR 211.A O no hydrogen 2.820 N/A ASP 239.A N ASP 256.A O no hydrogen 2.869 N/A TYR 240.A N LYS 209.A O no hydrogen 2.833 N/A ASN 241.A N THR 254.A O no hydrogen 3.018 N/A TYR 242.A N THR 207.A O no hydrogen 2.920 N/A HIS 245.A N ASP 243.A OD1 no hydrogen 2.739 N/A HIS 245.A ND1 ASP 243.A OD1 no hydrogen 2.966 N/A TYR 246.A N ASP 243.A O no hydrogen 2.817 N/A GLY 247.A N ASP 243.A O no hydrogen 2.888 N/A ASP 250.A N GLY 247.A O no hydrogen 3.108 N/A SER 252.A N ASP 250.A OD2 no hydrogen 3.126 N/A SER 252.A OG ASP 250.A OD2 no hydrogen 2.968 N/A ALA 253.A N ASP 250.A O no hydrogen 2.970 N/A THR 254.A N ASN 241.A O no hydrogen 2.856 N/A THR 254.A OG1 ASN 241.A O no hydrogen 3.533 N/A ASP 256.A N ASP 239.A O no hydrogen 2.832 N/A GLU 257.A N THR 288.A O no hydrogen 2.822 N/A MET 258.A N SER 237.A O no hydrogen 2.869 N/A LYS 259.A N THR 286.A O no hydrogen 2.991 N/A GLN 260.A N SER 235.A O no hydrogen 3.018 N/A GLN 260.A NE2 GLN 285.A OE1 no hydrogen 2.787 N/A TYR 261.A N LYS 284.A O no hydrogen 2.841 N/A THR 262.A N SER 233.A O no hydrogen 2.948 N/A THR 262.A OG1 GLN 283.A OE1 no hydrogen 3.255 N/A VAL 263.A N TRP 282.A O no hydrogen 2.840 N/A GLN 264.A N ILE 231.A O no hydrogen 2.900 N/A GLN 264.A NE2 GLY 76.A O no hydrogen 3.412 N/A TRP 265.A N VAL 280.A O no hydrogen 2.850 N/A TRP 265.A NE1 SER 228.A OG no hydrogen 3.003 N/A ALA 266.A N GLN 229.A O no hydrogen 2.919 N/A ASN 267.A N ALA 278.A O no hydrogen 2.763 N/A ASN 267.A ND2 ALA 278.A O no hydrogen 3.523 N/A ASN 268.A N LYS 227.A O no hydrogen 2.760 N/A VAL 269.A N ILE 276.A O no hydrogen 2.886 N/A ILE 270.A N LEU 225.A O no hydrogen 2.901 N/A VAL 271.A N GLY 274.A O no hydrogen 3.063 N/A HIS 273.A N GLN 311.A OE1 no hydrogen 3.087 N/A SER 275.A N LEU 310.A O no hydrogen 2.938 N/A ILE 276.A N VAL 269.A O no hydrogen 3.033 N/A GLY 277.A N THR 308.A O no hydrogen 2.872 N/A ALA 278.A N ASN 267.A O no hydrogen 2.887 N/A GLY 279.A N TYR 306.A O no hydrogen 3.048 N/A VAL 280.A N TRP 265.A O no hydrogen 2.837 N/A ASP 281.A N GLY 304.A O no hydrogen 2.954 N/A TRP 282.A N VAL 263.A O no hydrogen 2.843 N/A GLN 283.A N ASN 302.A O no hydrogen 2.836 N/A LYS 284.A N TYR 261.A O no hydrogen 2.892 N/A GLN 285.A N GLN 300.A O no hydrogen 2.872 N/A THR 286.A N LYS 259.A O no hydrogen 2.787 N/A THR 287.A N TYR 298.A O no hydrogen 3.001 N/A THR 288.A N GLU 257.A O no hydrogen 2.847 N/A THR 291.A OG1 ASP 296.A OD2 no hydrogen 2.237 N/A TYR 293.A N THR 291.A OG1 no hydrogen 3.391 N/A ASP 296.A N TYR 293.A O no hydrogen 2.894 N/A GLY 297.A N VAL 294.A O no hydrogen 2.987 N/A TYR 298.A N THR 287.A O no hydrogen 2.831 N/A GLN 300.A N GLN 285.A O no hydrogen 2.897 N/A ARG 301.A N SER 328.A OG no hydrogen 2.806 N/A ARG 301.A NH1 ASP 299.A OD1 no hydrogen 2.863 N/A ASN 302.A N GLN 283.A O no hydrogen 2.783 N/A ASN 302.A ND2 ASP 325.A OD2 no hydrogen 2.965 N/A THR 303.A N ASP 326.A O no hydrogen 3.017 N/A GLY 304.A N ASP 281.A O no hydrogen 2.868 N/A ILE 305.A N SER 324.A O no hydrogen 2.996 N/A TYR 306.A N GLY 279.A O no hydrogen 2.994 N/A LEU 307.A N ALA 322.A O no hydrogen 2.771 N/A THR 308.A N GLY 277.A O no hydrogen 2.846 N/A GLY 309.A N GLY 320.A O no hydrogen 2.936 N/A LEU 310.A N SER 275.A O no hydrogen 2.824 N/A GLN 311.A N PHE 318.A O no hydrogen 2.841 N/A GLN 311.A NE2 VAL 271.A O no hydrogen 2.771 N/A GLN 311.A NE2 LEU 310.A O no hydrogen 3.092 N/A GLN 312.A N HIS 273.A O no hydrogen 2.743 N/A GLN 312.A NE2 THR 317.A OG1 no hydrogen 3.372 N/A VAL 313.A N PHE 316.A O no hydrogen 2.824 N/A PHE 316.A N VAL 313.A O no hydrogen 3.080 N/A THR 317.A N GLY 341.A O no hydrogen 2.867 N/A PHE 318.A N GLN 311.A O no hydrogen 2.810 N/A GLU 319.A N SER 339.A O no hydrogen 3.054 N/A GLY 320.A N GLY 309.A O no hydrogen 2.915 N/A ALA 321.A N GLN 337.A O no hydrogen 2.971 N/A ALA 322.A N LEU 307.A O no hydrogen 2.884 N/A ARG 323.A N THR 335.A O no hydrogen 2.888 N/A ARG 323.A NE ASP 325.A OD1 no hydrogen 3.112 N/A ARG 323.A NE ASP 325.A OD2 no hydrogen 2.794 N/A ARG 323.A NH1 VAL 111.A O no hydrogen 2.903 N/A ARG 323.A NH1 ASP 281.A OD1 no hydrogen 2.883 N/A ARG 323.A NH2 ASP 281.A OD2 no hydrogen 2.749 N/A ARG 323.A NH2 ASP 325.A OD2 no hydrogen 2.645 N/A SER 324.A N ILE 305.A O no hydrogen 2.913 N/A ASP 325.A N HIS 333.A O no hydrogen 2.842 N/A ASP 326.A N THR 303.A O no hydrogen 2.628 N/A ASN 327.A N GLY 331.A O no hydrogen 2.724 N/A SER 328.A N ARG 301.A O no hydrogen 2.790 N/A SER 328.A OG ARG 301.A O no hydrogen 3.355 N/A GLN 329.A NE2.A TYR 367.A OH no hydrogen 2.296 N/A GLY 331.A N ASN 327.A O no hydrogen 2.646 N/A HIS 333.A N ASP 325.A O no hydrogen 3.092 N/A HIS 333.A NE2 PHE 330.A O no hydrogen 2.518 N/A THR 335.A N ARG 323.A O no hydrogen 2.932 N/A TRP 336.A N THR 356.A OG1 no hydrogen 3.129 N/A GLN 337.A N ALA 321.A O no hydrogen 2.916 N/A GLN 337.A NE2 PRO 107.A O no hydrogen 3.070 N/A THR 338.A N TYR 354.A O no hydrogen 2.823 N/A THR 338.A OG1.A GLU 319.A O no hydrogen 3.162 N/A SER 339.A N GLU 319.A O no hydrogen 2.891 N/A SER 339.A OG SER 353.A OG no hydrogen 2.593 N/A ALA 340.A N ALA 352.A O no hydrogen 2.908 N/A GLY 341.A N THR 317.A O no hydrogen 2.829 N/A TRP 342.A N PHE 350.A O no hydrogen 2.806 N/A GLU 343.A N ASP 315.A O no hydrogen 2.803 N/A GLY 347.A N GLU 343.A OE1 no hydrogen 2.821 N/A TYR 348.A N ILE 345.A O no hydrogen 3.010 N/A TYR 348.A OH THR 391.A OG1 no hydrogen 2.667 N/A ARG 349.A N GLU 388.A O no hydrogen 2.760 N/A ARG 349.A NE GLU 388.A OE1 no hydrogen 2.692 N/A ARG 349.A NH1 SER 20.A O no hydrogen 3.299 N/A ARG 349.A NH2 SER 20.A O no hydrogen 2.568 N/A ARG 349.A NH2 GLU 388.A OE1 no hydrogen 2.871 N/A PHE 350.A N TRP 342.A O no hydrogen 3.043 N/A ILE 351.A N ALA 386.A O no hydrogen 2.901 N/A ALA 352.A N ALA 340.A O no hydrogen 2.878 N/A SER 353.A N GLU 384.A O no hydrogen 2.755 N/A SER 353.A OG SER 339.A OG no hydrogen 2.593 N/A TYR 354.A N THR 338.A O no hydrogen 2.845 N/A GLY 355.A N GLN 382.A O no hydrogen 2.980 N/A THR 356.A N TRP 336.A O no hydrogen 2.782 N/A THR 356.A OG1 TRP 336.A O no hydrogen 3.440 N/A SER 357.A N SER 380.A O no hydrogen 3.085 N/A TYR 358.A N SER 109.A OG no hydrogen 3.148 N/A TYR 358.A OH ASP 325.A OD1 no hydrogen 2.874 N/A LYS 359.A N GLU 378.A O no hydrogen 2.943 N/A ALA 360.A N SER 114.A OG no hydrogen 2.857 N/A ASN 362.A N GLN 365.A OE1 no hydrogen 3.133 N/A GLN 365.A N ASN 362.A OD1 no hydrogen 3.088 N/A LEU 366.A N ASN 362.A O no hydrogen 2.955 N/A TYR 367.A N LEU 363.A O no hydrogen 2.824 N/A GLY 368.A N GLY 364.A O no hydrogen 2.821 N/A GLY 371.A N GLY 368.A O no hydrogen 2.847 N/A ASN 372.A N GLN 365.A O no hydrogen 2.959 N/A ASN 374.A N ASN 372.A OD1 no hydrogen 2.815 N/A ASN 374.A ND2 ASN 372.A OD1 no hydrogen 3.590 N/A LEU 375.A N ASN 372.A O no hydrogen 3.271 N/A GLU 378.A N LYS 359.A O no hydrogen 2.794 N/A LYS 379.A N SER 406.A O no hydrogen 3.072 N/A LYS 379.A NZ PRO 377.A O no hydrogen 2.488 N/A LYS 379.A NZ ASP 407.A OD2 no hydrogen 2.922 N/A SER 380.A N SER 357.A O no hydrogen 2.956 N/A SER 380.A OG SER 357.A OG no hydrogen 3.388 N/A SER 380.A OG ASN 403.A OD1 no hydrogen 2.655 N/A LYS 381.A N ASP 404.A O no hydrogen 2.946 N/A LYS 381.A NZ TYR 354.A OH no hydrogen 2.806 N/A GLN 382.A N GLY 355.A O no hydrogen 2.919 N/A GLN 382.A NE2 ILE 117.A O no hydrogen 2.618 N/A GLN 382.A NE2 SER 380.A OG no hydrogen 3.349 N/A TRP 383.A N ARG 402.A O no hydrogen 2.919 N/A GLU 384.A N SER 353.A O no hydrogen 2.945 N/A GLY 385.A N GLY 400.A O no hydrogen 2.878 N/A ALA 386.A N ILE 351.A O no hydrogen 2.756 N/A PHE 387.A N ILE 398.A O no hydrogen 2.911 N/A GLU 388.A N ARG 349.A O no hydrogen 2.885 N/A GLY 389.A N TRP 396.A O no hydrogen 3.234 N/A LEU 390.A N GLY 347.A O no hydrogen 2.996 N/A THR 391.A N VAL 394.A O no hydrogen 2.768 N/A THR 391.A OG1 TYR 348.A OH no hydrogen 2.667 N/A VAL 394.A N THR 391.A O no hydrogen 2.764 N/A ASN 395.A N ASN 434.A O no hydrogen 3.021 N/A ASN 395.A ND2 ASN 434.A OD1 no hydrogen 2.932 N/A TRP 396.A N GLY 389.A O no hydrogen 2.886 N/A TRP 396.A NE1 THR 391.A OG1 no hydrogen 2.950 N/A ARG 397.A N THR 432.A O no hydrogen 2.989 N/A ARG 397.A NH1.A SER 399.A OG no hydrogen 2.586 N/A ARG 397.A NH1.B LEU 23.A O no hydrogen 3.058 N/A ARG 397.A NH1.B GLU 388.A OE2 no hydrogen 3.120 N/A ARG 397.A NH2.A GLU 384.A OE1 no hydrogen 3.138 N/A ARG 397.A NH2.A SER 399.A OG no hydrogen 2.964 N/A ARG 397.A NH2.B LEU 23.A O no hydrogen 2.602 N/A ILE 398.A N PHE 387.A O no hydrogen 2.915 N/A SER 399.A N GLU 430.A O no hydrogen 2.850 N/A SER 399.A OG GLU 384.A OE1 no hydrogen 2.738 N/A GLY 400.A N GLY 385.A O no hydrogen 2.867 N/A TYR 401.A N GLY 428.A O no hydrogen 2.910 N/A ARG 402.A N TRP 383.A O no hydrogen 2.809 N/A ARG 402.A NH2 ASP 404.A OD1 no hydrogen 2.866 N/A ASN 403.A N ILE 426.A O no hydrogen 2.798 N/A ASP 404.A N LYS 381.A O no hydrogen 2.860 N/A VAL 405.A N ALA 424.A O no hydrogen 2.814 N/A SER 406.A N LYS 379.A O no hydrogen 2.649 N/A LEU 408.A N GLY 422.A O no hydrogen 3.113 N/A ILE 409.A N GLU 378.A OE2 no hydrogen 2.881 N/A ASP 410.A N TYR 419.A O no hydrogen 3.017 N/A ASP 412.A N LYS 417.A O no hydrogen 2.816 N/A ASP 413.A N ASP 413.A OD1 no hydrogen 2.455 N/A HIS 414.A N ASP 412.A OD1 no hydrogen 2.997 N/A THR 415.A OG1 ASP 412.A OD2 no hydrogen 2.737 N/A LEU 416.A N ASP 413.A O no hydrogen 3.391 N/A LYS 417.A N ASP 412.A O no hydrogen 3.083 N/A TYR 418.A N TYR 370.A O no hydrogen 2.981 N/A TYR 419.A N ASP 410.A O no hydrogen 2.901 N/A ASN 420.A ND2 ASP 407.A OD1 no hydrogen 2.714 N/A GLU 421.A N LEU 408.A O no hydrogen 2.680 N/A GLY 422.A N ASN 420.A OD1 no hydrogen 2.804 N/A ALA 424.A N VAL 405.A O no hydrogen 2.859 N/A ARG 425.A N ARG 452.A O no hydrogen 2.827 N/A ILE 426.A N ASN 403.A O no hydrogen 2.863 N/A LYS 427.A N ASP 450.A O no hydrogen 2.855 N/A GLY 428.A N TYR 401.A O no hydrogen 2.999 N/A VAL 429.A N TYR 448.A O no hydrogen 2.922 N/A GLU 430.A N SER 399.A O no hydrogen 2.975 N/A ALA 431.A N TYR 446.A O no hydrogen 2.737 N/A THR 432.A N ARG 397.A O no hydrogen 2.783 N/A ALA 433.A N VAL 444.A O no hydrogen 3.023 N/A ASN 434.A N ASN 395.A O no hydrogen 3.010 N/A PHE 435.A N HIS 442.A O no hydrogen 3.036 N/A THR 437.A N LEU 440.A O no hydrogen 2.774 N/A LEU 440.A N THR 437.A O no hydrogen 2.978 N/A THR 441.A N ASP 473.A O no hydrogen 2.797 N/A THR 441.A OG1 ASP 436.A OD1 no hydrogen 2.834 N/A HIS 442.A N PHE 435.A O no hydrogen 2.765 N/A THR 443.A N GLN 471.A O no hydrogen 2.970 N/A VAL 444.A N ALA 433.A O no hydrogen 2.887 N/A SER 445.A N LYS 469.A O no hydrogen 2.803 N/A TYR 446.A N ALA 431.A O no hydrogen 2.739 N/A TYR 446.A OH GLN 466.A OE1 no hydrogen 2.558 N/A ASP 447.A N GLN 467.A O no hydrogen 2.894 N/A TYR 448.A N VAL 429.A O no hydrogen 2.834 N/A VAL 449.A N LYS 465.A O no hydrogen 2.795 N/A ASP 450.A N LYS 427.A O no hydrogen 2.664 N/A ARG 452.A N ARG 425.A O no hydrogen 2.818 N/A ARG 452.A NE ASP 450.A OD1 no hydrogen 3.323 N/A ARG 452.A NE ASP 450.A OD2 no hydrogen 2.893 N/A ARG 452.A NH1 ASP 457.A O no hydrogen 2.794 N/A ASN 453.A N THR 458.A O no hydrogen 2.877 N/A ASN 453.A ND2 GLU 421.A OE2 no hydrogen 2.710 N/A ALA 454.A N LYS 423.A O no hydrogen 2.850 N/A ILE 455.A N ASN 453.A OD1 no hydrogen 2.788 N/A THR 456.A N ASN 453.A OD1 no hydrogen 3.025 N/A THR 456.A OG1 THR 458.A OG1 no hydrogen 3.270 N/A ASP 457.A N ASN 453.A O no hydrogen 2.767 N/A THR 458.A N THR 456.A OG1 no hydrogen 3.217 N/A THR 458.A OG1 THR 456.A OG1 no hydrogen 3.270 N/A LEU 460.A N ALA 451.A O no hydrogen 2.845 N/A ARG 462.A N TYR 492.A O no hydrogen 2.571 N/A ARG 462.A NH2 TYR 411.A O no hydrogen 2.882 N/A ARG 463.A NE GLY 64.A O no hydrogen 2.843 N/A ARG 463.A NH1 ASP 410.A OD1 no hydrogen 3.280 N/A ARG 463.A NH1 ASP 410.A OD2 no hydrogen 3.111 N/A ARG 463.A NH1 LEU 461.A O no hydrogen 2.949 N/A ARG 463.A NH2 GLY 64.A O no hydrogen 2.946 N/A ARG 463.A NH2 ASP 410.A OD1 no hydrogen 3.082 N/A ARG 463.A NH2 ASP 410.A OD2 no hydrogen 3.214 N/A ALA 464.A N ASP 53.A OD2 no hydrogen 2.859 N/A LYS 465.A N THR 490.A O no hydrogen 2.995 N/A GLN 467.A N ASP 447.A O no hydrogen 2.967 N/A GLN 467.A NE2 GLY 51.A O no hydrogen 3.200 N/A VAL 468.A N TYR 487.A O no hydrogen 2.817 N/A LYS 469.A N SER 445.A O no hydrogen 2.892 N/A LYS 469.A NZ LEU 49.A O no hydrogen 2.999 N/A LYS 469.A NZ VAL 52.A O no hydrogen 3.160 N/A LYS 469.A NZ GLN 467.A OE1 no hydrogen 2.710 N/A TYR 470.A N TYR 485.A O no hydrogen 2.986 N/A GLN 471.A N THR 443.A O no hydrogen 2.733 N/A GLN 471.A NE2 ASP 473.A OD1 no hydrogen 2.892 N/A LEU 472.A N ILE 483.A O no hydrogen 2.874 N/A ASP 473.A N THR 441.A O no hydrogen 2.882 N/A TRP 474.A N TRP 481.A O no hydrogen 2.967 N/A GLN 475.A NE2 ASP 480.A OD2 no hydrogen 2.969 N/A LEU 476.A N PHE 479.A O no hydrogen 2.860 N/A PHE 479.A N LEU 476.A O no hydrogen 3.075 N/A ASP 480.A N ALA 517.A O no hydrogen 2.883 N/A TRP 481.A N TRP 474.A O no hydrogen 2.597 N/A GLY 482.A N ALA 515.A O no hydrogen 2.960 N/A ILE 483.A N LEU 472.A O no hydrogen 2.734 N/A THR 484.A N ASP 513.A O no hydrogen 2.938 N/A THR 484.A OG1 GLN 471.A OE1 no hydrogen 2.600 N/A TYR 485.A N TYR 470.A O no hydrogen 2.851 N/A TYR 485.A OH SER 510.A OG no hydrogen 2.702 N/A GLN 486.A N LEU 511.A O no hydrogen 2.894 N/A GLN 486.A NE2 ARG 47.A O no hydrogen 3.503 N/A TYR 487.A N VAL 468.A O no hydrogen 2.833 N/A LEU 488.A N VAL 509.A O no hydrogen 2.973 N/A GLY 489.A N GLN 466.A O no hydrogen 2.732 N/A THR 490.A OG1 MET 506.A O no hydrogen 3.065 N/A ARG 491.A N MET 506.A O no hydrogen 3.192 N/A ARG 491.A NH1 ASP 53.A OD1 no hydrogen 3.197 N/A ARG 491.A NH1 ASP 53.A OD2 no hydrogen 3.003 N/A ARG 491.A NH1 ARG 462.A O no hydrogen 2.784 N/A ARG 491.A NH2 ASP 53.A OD1 no hydrogen 2.770 N/A ASP 493.A N VAL 504.A O no hydrogen 2.891 N/A LYS 494.A N ASP 493.A OD1 no hydrogen 2.659 N/A ASP 495.A N GLN 502.A O no hydrogen 2.805 N/A SER 497.A N ASP 495.A OD1 no hydrogen 3.152 N/A SER 497.A OG ASP 495.A OD1 no hydrogen 2.739 N/A GLN 502.A NE2 PRO 500.A O no hydrogen 3.376 N/A VAL 504.A N ASP 493.A O no hydrogen 2.823 N/A MET 506.A N ARG 491.A O no hydrogen 2.679 N/A VAL 509.A N LEU 488.A O no hydrogen 2.865 N/A SER 510.A OG TYR 485.A OH no hydrogen 2.702 N/A LEU 511.A N GLN 486.A O no hydrogen 2.870 N/A ASP 513.A N THR 484.A O no hydrogen 2.839 N/A LEU 514.A N ILE 530.A O no hydrogen 2.820 N/A ALA 515.A N GLY 482.A O no hydrogen 2.767 N/A VAL 516.A N GLY 528.A O no hydrogen 2.848 N/A ALA 517.A N ASP 480.A O no hydrogen 2.963 N/A TYR 518.A N VAL 526.A O no hydrogen 2.752 N/A THR 521.A N LEU 524.A O no hydrogen 3.155 N/A HIS 523.A N THR 521.A OG1 no hydrogen 3.093 N/A LEU 524.A N THR 521.A OG1 no hydrogen 2.944 N/A THR 525.A N SER 548.A O no hydrogen 2.995 N/A VAL 526.A N TYR 518.A O no hydrogen 2.926 N/A ARG 527.A N SER 546.A O no hydrogen 2.793 N/A GLY 528.A N VAL 516.A O no hydrogen 2.818 N/A LYS 529.A N THR 544.A O no hydrogen 2.843 N/A LYS 529.A NZ.A GLN 38.A O no hydrogen 2.830 N/A LYS 529.A NZ.B TRP 37.A O no hydrogen 2.999 N/A LYS 529.A NZ.B GLN 38.A O no hydrogen 3.293 N/A ILE 530.A N LEU 514.A O no hydrogen 2.694 N/A ALA 531.A N GLU 542.A O no hydrogen 2.767 N/A ASN 532.A N ASP 513.A OD1 no hydrogen 2.990 N/A ASN 532.A ND2 LYS 536.A O no hydrogen 2.831 N/A ASN 532.A ND2 ALA 539.A O no hydrogen 2.989 N/A LEU 533.A N TRP 512.A O no hydrogen 2.785 N/A ASP 535.A N ASN 532.A O no hydrogen 3.006 N/A LYS 536.A N ASN 532.A OD1 no hydrogen 2.942 N/A ARG 541.A N ASP 535.A OD1 no hydrogen 2.820 N/A ARG 541.A NE LEU 533.A O no hydrogen 2.842 N/A ARG 541.A NH2 LEU 533.A O no hydrogen 2.906 N/A GLU 542.A N ALA 531.A O no hydrogen 2.949 N/A TYR 543.A N SER 140.A OG no hydrogen 2.866 N/A THR 544.A N LYS 529.A O no hydrogen 2.808 N/A LEU 545.A N TRP 138.A O no hydrogen 2.916 N/A SER 546.A N ARG 527.A O no hydrogen 2.878 N/A GLY 547.A N ALA 136.A O no hydrogen 3.008 N/A SER 548.A N THR 525.A O no hydrogen 2.817 N/A SER 548.A OG SER 135.A OG no hydrogen 3.278 N/A TYR 549.A N ILE 134.A O no hydrogen 2.738 N/A THR 550.A N HIS 523.A O no hydrogen 2.922 N/A PHE 551.A N THR 132.A O no hydrogen 2.857 N/A