Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4iuw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 ASP 6.A OD2 no hydrogen 3.300 N/A ARG 3.A NH1 ASP 615.A OD1 no hydrogen 3.049 N/A GLN 5.A N GLN 5.A OE1 no hydrogen 2.884 N/A GLN 5.A NE2 PHE 609.A O no hydrogen 2.870 N/A ASP 6.A N ARG 3.A O no hydrogen 2.871 N/A ASP 7.A N ARG 3.A O no hydrogen 3.018 N/A TYR 9.A N ASN 596.A OD1 no hydrogen 2.841 N/A TYR 9.A OH GLN 17.A OE1 no hydrogen 2.496 N/A LEU 10.A N ASP 7.A OD1 no hydrogen 2.926 N/A ALA 11.A N ASP 7.A O no hydrogen 2.885 N/A VAL 12.A N LEU 8.A O no hydrogen 3.102 N/A ASN 13.A N TYR 9.A O no hydrogen 2.774 N/A GLY 14.A N LEU 10.A O no hydrogen 2.853 N/A GLN 17.A N ASN 13.A O no hydrogen 2.715 N/A GLN 17.A NE2 THR 572.A O no hydrogen 2.895 N/A ALA 18.A N GLY 14.A O no hydrogen 3.015 N/A LYS 19.A N GLU 15.A O no hydrogen 3.382 N/A THR 20.A N TRP 16.A O no hydrogen 3.105 N/A THR 20.A OG1 TRP 16.A O no hydrogen 2.645 N/A LYS 26.A N PRO 23.A O no hydrogen 3.057 N/A LYS 26.A NZ ASP 37.A OD1 no hydrogen 3.355 N/A LYS 26.A NZ ASP 37.A OD2 no hydrogen 2.830 N/A VAL 29.A N LYS 573.A O no hydrogen 2.848 N/A SER 30.A N SER 33.A OG no hydrogen 2.929 N/A SER 30.A OG ASP 32.A OD1 no hydrogen 3.227 N/A SER 30.A OG SER 33.A OG no hydrogen 3.421 N/A ALA 31.A N ALA 571.A O no hydrogen 2.913 N/A SER 33.A N SER 30.A OG no hydrogen 3.079 N/A SER 33.A OG SER 30.A O no hydrogen 3.321 N/A SER 33.A OG SER 30.A OG no hydrogen 3.421 N/A ASN 34.A N SER 30.A O no hydrogen 2.866 N/A LEU 35.A N ALA 31.A O no hydrogen 3.056 N/A THR 36.A N ASP 32.A O no hydrogen 2.787 N/A THR 36.A OG1 ASP 32.A O no hydrogen 2.791 N/A ASP 37.A N SER 33.A O no hydrogen 2.959 N/A ASP 38.A N ASN 34.A O no hydrogen 3.170 N/A ILE 39.A N LEU 35.A O no hydrogen 2.995 N/A ARG 40.A N THR 36.A O no hydrogen 2.838 N/A ARG 40.A NH1 ASP 37.A OD1 no hydrogen 3.075 N/A ARG 40.A NH2 ASP 37.A OD1 no hydrogen 2.711 N/A GLN 41.A N ASP 37.A O no hydrogen 2.948 N/A LYS 42.A N ASP 38.A O no hydrogen 3.240 N/A LEU 43.A N ILE 39.A O no hydrogen 2.963 N/A VAL 44.A N ARG 40.A O no hydrogen 2.898 N/A ALA 45.A N GLN 41.A O no hydrogen 3.283 N/A ASP 46.A N LYS 42.A O no hydrogen 3.021 N/A LEU 47.A N LEU 43.A O no hydrogen 2.725 N/A SER 48.A N VAL 44.A O no hydrogen 2.895 N/A SER 48.A OG VAL 44.A O no hydrogen 2.824 N/A THR 49.A N ASP 46.A O no hydrogen 3.022 N/A THR 49.A OG1 ASP 46.A O no hydrogen 2.854 N/A MET 50.A N LEU 47.A O no hydrogen 3.085 N/A LEU 59.A N THR 56.A OG1.B no hydrogen 3.026 N/A GLN 60.A N THR 56.A O no hydrogen 3.095 N/A GLN 60.A NE2 THR 51.A O no hydrogen 3.203 N/A TYR 61.A N LEU 57.A O no hydrogen 2.823 N/A ALA 62.A N PRO 58.A O no hydrogen 2.923 N/A ALA 63.A N LEU 59.A O no hydrogen 2.922 N/A ARG 64.A N GLN 60.A O no hydrogen 2.889 N/A ARG 64.A NH1 VAL 392.A O no hydrogen 2.577 N/A LEU 65.A N TYR 61.A O no hydrogen 2.831 N/A PHE 66.A N ALA 62.A O no hydrogen 2.909 N/A ALA 67.A N ALA 63.A O no hydrogen 2.923 N/A LYS 68.A N ARG 64.A O no hydrogen 3.055 N/A LYS 68.A NZ ASP 393.A O no hydrogen 2.751 N/A LYS 68.A NZ VAL 394.A O no hydrogen 3.240 N/A LYS 68.A NZ ASP 396.A O no hydrogen 2.779 N/A ALA 69.A N LEU 65.A O no hydrogen 2.837 N/A ASN 70.A N PHE 66.A O no hydrogen 2.656 N/A ASP 71.A N LYS 68.A O no hydrogen 3.274 N/A GLN 72.A N ASN 70.A O no hydrogen 2.855 N/A ARG 74.A N ASP 71.A OD1 no hydrogen 2.994 N/A ARG 74.A NH2.A ASP 395.A O no hydrogen 3.061 N/A ARG 75.A N ASP 71.A O no hydrogen 2.959 N/A ARG 75.A NE LEU 280.A O no hydrogen 2.701 N/A ARG 75.A NH1 ALA 69.A O no hydrogen 2.979 N/A ARG 75.A NH1 HIS 307.A NE2 no hydrogen 3.225 N/A ARG 75.A NH2 THR 278.A O no hydrogen 2.862 N/A ARG 75.A NH2 LEU 280.A O no hydrogen 2.829 N/A ARG 75.A NH2 HIS 307.A NE2 no hydrogen 3.065 N/A GLN 76.A N GLN 72.A O no hydrogen 2.864 N/A GLN 77.A N THR 73.A O no hydrogen 2.881 N/A LEU 78.A N ARG 74.A O no hydrogen 2.916 N/A GLY 79.A N ARG 75.A O no hydrogen 3.148 N/A GLU 81.A N LEU 78.A O no hydrogen 3.127 N/A VAL 83.A N ILE 80.A O no hydrogen 3.058 N/A ARG 84.A N GLU 81.A O no hydrogen 2.894 N/A ARG 84.A NE GLU 81.A OE1 no hydrogen 3.089 N/A ARG 84.A NH1 VAL 171.A O no hydrogen 3.359 N/A ARG 86.A NE GLU 272.A OE2 no hydrogen 3.149 N/A ARG 86.A NH1 ASP 109.A O no hydrogen 2.857 N/A ARG 86.A NH2 ASP 109.A O no hydrogen 2.962 N/A ARG 86.A NH2 GLU 272.A OE2 no hydrogen 2.853 N/A ILE 87.A N VAL 83.A O no hydrogen 3.066 N/A SER 88.A N ARG 84.A O no hydrogen 2.899 N/A SER 88.A OG ARG 84.A O no hydrogen 3.069 N/A PHE 89.A N ASP 85.A O no hydrogen 3.017 N/A LEU 90.A N ARG 86.A O no hydrogen 3.116 N/A MET 91.A N ILE 87.A O no hydrogen 2.838 N/A ALA 92.A N SER 88.A O no hydrogen 2.974 N/A ALA 92.A N PHE 89.A O no hydrogen 3.253 N/A LEU 93.A N LEU 90.A O no hydrogen 3.031 N/A THR 94.A N GLN 98.A OE1 no hydrogen 2.817 N/A THR 94.A OG1 GLN 98.A OE1 no hydrogen 2.767 N/A THR 95.A N GLN 98.A OE1 no hydrogen 3.263 N/A GLN 98.A N THR 95.A OG1 no hydrogen 3.142 N/A PHE 99.A N THR 95.A O no hydrogen 2.965 N/A ARG 100.A N LEU 96.A O no hydrogen 2.881 N/A ARG 100.A NE ASP 97.A OD1 no hydrogen 3.096 N/A ARG 100.A NH2 ASP 97.A OD1 no hydrogen 2.942 N/A SER 101.A N ASP 97.A O no hydrogen 2.925 N/A ALA 102.A N GLN 98.A O no hydrogen 2.925 N/A MET 103.A N ARG 100.A O no hydrogen 3.053 N/A LEU 106.A N ALA 102.A O no hydrogen 2.937 N/A VAL 107.A N MET 103.A O no hydrogen 2.841 N/A ALA 108.A N PRO 104.A O no hydrogen 2.922 N/A ASP 109.A N LYS 105.A O no hydrogen 2.727 N/A GLN 110.A NE2 ALA 108.A O no hydrogen 3.054 N/A GLN 110.A NE2 GLN 410.A OE1 no hydrogen 3.303 N/A TYR 111.A N LEU 106.A O no hydrogen 3.080 N/A VAL 112.A N GLU 272.A OE1 no hydrogen 2.865 N/A SER 116.A N GLY 134.A O no hydrogen 2.853 N/A SER 116.A OG TYR 118.A OH no hydrogen 3.143 N/A TYR 118.A N ASN 132.A O no hydrogen 2.930 N/A TYR 118.A OH SER 116.A OG no hydrogen 3.143 N/A ASP 120.A N ILE 130.A O no hydrogen 3.191 N/A ASP 122.A N HIS 128.A O no hydrogen 3.014 N/A HIS 124.A N ASP 122.A OD1 no hydrogen 2.829 N/A ASP 125.A N ASP 122.A O no hydrogen 3.080 N/A HIS 128.A N ASP 125.A O no hydrogen 2.983 N/A HIS 128.A ND1 ASP 125.A OD2 no hydrogen 2.809 N/A ASN 129.A N GLN 419.A O no hydrogen 3.328 N/A ASN 129.A ND2 GLN 416.A O no hydrogen 3.183 N/A ILE 130.A N ASP 120.A O no hydrogen 2.745 N/A ASN 132.A N TYR 118.A O no hydrogen 2.690 N/A ASN 132.A ND2 TYR 118.A O no hydrogen 3.009 N/A ASN 132.A ND2 ASP 120.A OD1 no hydrogen 2.865 N/A LEU 133.A N ASN 242.A O no hydrogen 2.813 N/A GLY 134.A N SER 116.A O no hydrogen 2.736 N/A THR 138.A N ASP 137.A OD1 no hydrogen 3.040 N/A THR 138.A OG1 LEU 140.A O no hydrogen 2.758 N/A ILE 139.A N ASP 189.A OD1 no hydrogen 2.832 N/A LEU 140.A N TYR 146.A OH no hydrogen 2.986 N/A ALA 144.A N ASP 142.A OD1 no hydrogen 3.053 N/A MET 145.A N ASP 142.A O no hydrogen 3.034 N/A TYR 146.A N ALA 143.A O no hydrogen 3.143 N/A TYR 146.A OH ASP 189.A OD2 no hydrogen 2.540 N/A ASN 147.A N ALA 144.A O no hydrogen 3.257 N/A GLN 148.A N MET 145.A O no hydrogen 3.072 N/A ASN 153.A N ASP 150.A OD1 no hydrogen 2.880 N/A ASN 153.A ND2 MET 145.A O no hydrogen 2.852 N/A ALA 154.A N ASP 150.A O no hydrogen 3.181 N/A ALA 155.A N ALA 151.A O no hydrogen 2.809 N/A ASP 156.A N GLU 152.A O no hydrogen 2.888 N/A LEU 157.A N ASN 153.A O no hydrogen 2.911 N/A ALA 158.A N ALA 154.A O no hydrogen 2.904 N/A ALA 159.A N ALA 155.A O no hydrogen 3.040 N/A TRP 160.A N ASP 156.A O no hydrogen 3.029 N/A SER 161.A N LEU 157.A O no hydrogen 2.839 N/A SER 161.A OG LEU 157.A O no hydrogen 2.730 N/A GLN 162.A N ALA 158.A O no hydrogen 3.015 N/A MET 163.A N ALA 159.A O no hydrogen 3.189 N/A ALA 164.A N TRP 160.A O no hydrogen 2.884 N/A ALA 165.A N SER 161.A O no hydrogen 2.959 N/A ALA 166.A N GLN 162.A O no hydrogen 3.172 N/A MET 167.A N MET 163.A O no hydrogen 2.961 N/A LEU 168.A N ALA 164.A O no hydrogen 3.074 N/A ALA 169.A N ALA 165.A O no hydrogen 2.934 N/A ALA 170.A N ALA 166.A O no hydrogen 3.076 N/A ALA 170.A N MET 167.A O no hydrogen 3.157 N/A VAL 171.A N LEU 168.A O no hydrogen 3.129 N/A GLY 172.A N ALA 169.A O no hydrogen 2.982 N/A PHE 173.A N LEU 168.A O no hydrogen 2.974 N/A ASP 177.A N SER 174.A OG no hydrogen 3.049 N/A GLN 178.A N SER 174.A O no hydrogen 2.719 N/A THR 179.A N GLN 175.A O no hydrogen 3.022 N/A THR 179.A OG1 GLN 175.A O no hydrogen 3.084 N/A ALA 180.A N THR 176.A O no hydrogen 3.026 N/A TYR 181.A N ASP 177.A O no hydrogen 2.809 N/A VAL 182.A N GLN 178.A O no hydrogen 2.848 N/A GLU 183.A N THR 179.A O no hydrogen 3.000 N/A ALA 184.A N ALA 180.A O no hydrogen 2.978 N/A ALA 185.A N TYR 181.A O no hydrogen 2.904 N/A LYS 186.A N VAL 182.A O no hydrogen 3.019 N/A LYS 186.A NZ SER 161.A OG no hydrogen 2.985 N/A LYS 186.A NZ GLU 183.A OE2 no hydrogen 2.927 N/A ARG 187.A N GLU 183.A O no hydrogen 3.108 N/A ARG 187.A NE GLU 263.A OE2 no hydrogen 2.556 N/A PHE 188.A N ALA 184.A O no hydrogen 3.109 N/A ASP 189.A N ALA 185.A O no hydrogen 2.956 N/A ARG 190.A N LYS 186.A O no hydrogen 2.763 N/A ARG 190.A NH1 ARG 190.A O no hydrogen 2.876 N/A ARG 190.A NH1 ASP 194.A OD1 no hydrogen 3.269 N/A ARG 191.A N ARG 187.A O no hydrogen 3.279 N/A ARG 191.A NE GLU 263.A OE1 no hydrogen 2.985 N/A ARG 191.A NH1 LEU 255.A O no hydrogen 3.072 N/A ARG 191.A NH2 GLU 263.A OE1 no hydrogen 2.618 N/A LEU 192.A N PHE 188.A O no hydrogen 2.712 N/A ALA 193.A N ASP 189.A O no hydrogen 3.044 N/A ASP 194.A N ARG 191.A O no hydrogen 3.334 N/A TYR 195.A N LEU 192.A O no hydrogen 2.814 N/A VAL 196.A N ALA 193.A O no hydrogen 3.389 N/A ASN 199.A N ASP 142.A OD1 no hydrogen 2.953 N/A ASN 199.A ND2 PRO 141.A O no hydrogen 2.833 N/A ASN 199.A ND2 ARG 584.A O no hydrogen 2.944 N/A ASP 201.A N ALA 198.A O no hydrogen 2.925 N/A LEU 202.A N ALA 198.A O no hydrogen 3.127 N/A ALA 203.A N VAL 200.A O no hydrogen 3.235 N/A VAL 204.A N ASP 201.A O no hydrogen 3.106 N/A THR 207.A N VAL 204.A O no hydrogen 3.113 N/A THR 207.A OG1 ASP 201.A O no hydrogen 2.718 N/A THR 207.A OG1 VAL 204.A O no hydrogen 3.156 N/A TYR 208.A N ASP 205.A O no hydrogen 2.895 N/A TYR 208.A OH LEU 202.A O no hydrogen 2.716 N/A ASP 209.A N SER 206.A O no hydrogen 3.291 N/A ASN 210.A N ASN 242.A OD1 no hydrogen 2.597 N/A LEU 212.A N VAL 241.A O no hydrogen 2.807 N/A TRP 214.A N ALA 239.A O no hydrogen 3.033 N/A TRP 214.A NE1 GLU 218.A OE2 no hydrogen 2.825 N/A ALA 216.A N SER 213.A OG no hydrogen 3.144 N/A PHE 217.A N SER 213.A O no hydrogen 3.064 N/A GLU 218.A N TRP 214.A O no hydrogen 3.007 N/A ASP 219.A N GLN 215.A O no hydrogen 2.679 N/A ALA 220.A N ALA 216.A O no hydrogen 2.755 N/A ALA 221.A N PHE 217.A O no hydrogen 2.734 N/A GLY 222.A N GLU 218.A O no hydrogen 2.861 N/A TYR 223.A OH LEU 256.A O no hydrogen 2.776 N/A LEU 224.A N ALA 221.A O no hydrogen 2.972 N/A GLY 225.A N GLY 222.A O no hydrogen 2.966 N/A GLN 228.A N GLN 228.A OE1 no hydrogen 2.736 N/A GLN 228.A NE2 GLY 222.A O no hydrogen 3.165 N/A ALA 229.A N GLY 225.A O no hydrogen 3.043 N/A PHE 230.A N ILE 226.A O no hydrogen 2.880 N/A ALA 231.A N PRO 227.A O no hydrogen 2.866 N/A THR 232.A N GLN 228.A O no hydrogen 3.259 N/A THR 232.A N ALA 229.A O no hydrogen 3.197 N/A THR 232.A OG1 ALA 229.A O no hydrogen 2.905 N/A TYR 233.A N PHE 230.A O no hydrogen 3.024 N/A MET 234.A N ALA 231.A O no hydrogen 3.208 N/A LYS 240.A NZ ASP 122.A OD2 no hydrogen 3.217 N/A VAL 241.A N LEU 212.A O no hydrogen 2.760 N/A ASN 242.A N LEU 131.A O no hydrogen 2.936 N/A ASN 242.A ND2 ASN 132.A OD1 no hydrogen 3.006 N/A ASN 242.A ND2 TYR 208.A O no hydrogen 2.840 N/A ALA 243.A N ASN 210.A O no hydrogen 2.965 N/A VAL 244.A N LEU 133.A O no hydrogen 2.878 N/A TYR 248.A OH PRO 114.A O no hydrogen 2.635 N/A HIS 251.A N TYR 248.A O no hydrogen 2.899 N/A HIS 251.A ND1 ALA 247.A O no hydrogen 2.683 N/A LEU 252.A N LEU 249.A O no hydrogen 2.990 N/A LYS 254.A N HIS 251.A O no hydrogen 2.978 N/A LEU 255.A N HIS 251.A O no hydrogen 2.937 N/A LEU 256.A N LEU 252.A O no hydrogen 2.819 N/A THR 257.A N ASN 260.A OD1 no hydrogen 2.786 N/A ASN 260.A N THR 257.A OG1 no hydrogen 3.207 N/A ASN 260.A ND2 LYS 254.A O no hydrogen 3.309 N/A TYR 261.A OH LEU 93.A O no hydrogen 2.849 N/A GLU 263.A N ASN 260.A O no hydrogen 3.139 N/A HIS 265.A N TYR 261.A O no hydrogen 2.813 N/A HIS 265.A NE2 LEU 90.A O no hydrogen 2.710 N/A ALA 266.A N SER 262.A O no hydrogen 3.044 N/A TRP 267.A N GLU 263.A O no hydrogen 3.154 N/A MET 268.A N TRP 264.A O no hydrogen 2.777 N/A VAL 269.A N HIS 265.A O no hydrogen 3.019 N/A ILE 270.A N ALA 266.A O no hydrogen 2.972 N/A ASN 271.A N TRP 267.A O no hydrogen 2.874 N/A ASN 271.A ND2 TRP 267.A O no hydrogen 2.831 N/A GLU 272.A N MET 268.A O no hydrogen 2.762 N/A LEU 273.A N VAL 269.A O no hydrogen 3.171 N/A LEU 274.A N ILE 270.A O no hydrogen 2.912 N/A THR 275.A N ASN 271.A O no hydrogen 2.881 N/A THR 275.A OG1 ASN 271.A O no hydrogen 2.822 N/A CYS 276.A N GLU 272.A O no hydrogen 2.935 N/A CYS 276.A SG GLU 272.A O no hydrogen 3.362 N/A CYS 276.A SG GLU 272.A OE2 no hydrogen 3.195 N/A ALA 277.A N LEU 273.A O no hydrogen 2.835 N/A TYR 279.A N CYS 276.A O no hydrogen 2.870 N/A TYR 279.A OH GLU 314.A OE1 no hydrogen 2.601 N/A LEU 280.A N ALA 277.A O no hydrogen 3.080 N/A LEU 284.A N SER 281.A OG no hydrogen 3.155 N/A ARG 285.A N SER 281.A O no hydrogen 2.942 N/A ARG 285.A NE ASP 282.A OD1 no hydrogen 2.794 N/A ARG 285.A NH1 SER 302.A O no hydrogen 3.180 N/A ARG 285.A NH1 SER 302.A OG no hydrogen 3.072 N/A ARG 285.A NH2 ASP 282.A OD1 no hydrogen 2.923 N/A ARG 285.A NH2 SER 302.A O no hydrogen 2.948 N/A GLN 286.A N ASP 282.A O no hydrogen 2.973 N/A GLN 286.A NE2 ASP 282.A OD1 no hydrogen 3.009 N/A LEU 287.A N ASP 283.A O no hydrogen 2.958 N/A ALA 288.A N LEU 284.A O no hydrogen 3.012 N/A GLY 289.A N GLN 286.A O no hydrogen 3.048 N/A GLN 290.A N LEU 287.A O no hydrogen 3.025 N/A TYR 291.A OH ILE 139.A O no hydrogen 2.893 N/A ARG 293.A N GLY 289.A O no hydrogen 2.980 N/A ARG 293.A NH1 GLN 286.A O no hydrogen 3.147 N/A ARG 293.A NH2 GLN 286.A O no hydrogen 3.045 N/A PHE 294.A N GLN 290.A O no hydrogen 2.907 N/A LEU 295.A N TYR 291.A O no hydrogen 2.898 N/A ALA 296.A N ASP 292.A O no hydrogen 3.007 N/A GLY 297.A N PHE 294.A O no hydrogen 3.276 N/A GLN 298.A N ARG 293.A O no hydrogen 2.877 N/A GLN 298.A NE2 GLU 300.A O no hydrogen 2.900 N/A GLU 300.A N PRO 24.A O no hydrogen 2.764 N/A SER 302.A OG SER 303.A O no hydrogen 3.540 N/A TRP 304.A NE1 ASN 70.A O no hydrogen 3.098 N/A LYS 306.A N SER 303.A OG no hydrogen 3.035 N/A HIS 307.A N SER 303.A O no hydrogen 3.003 N/A ALA 308.A N TRP 304.A O no hydrogen 2.858 N/A PHE 309.A N THR 305.A O no hydrogen 2.867 N/A GLY 310.A N LYS 306.A O no hydrogen 3.042 N/A ILE 311.A N HIS 307.A O no hydrogen 3.070 N/A ALA 312.A N ALA 308.A O no hydrogen 3.221 N/A ASN 313.A N PHE 309.A O no hydrogen 2.963 N/A ASN 313.A ND2 PHE 309.A O no hydrogen 2.772 N/A GLU 314.A N GLY 310.A O no hydrogen 3.125 N/A GLU 314.A N ILE 311.A O no hydrogen 3.061 N/A PHE 316.A N ALA 312.A O no hydrogen 2.906 N/A ASP 318.A N ASP 317.A OD1 no hydrogen 2.812 N/A ILE 320.A N PHE 316.A O no hydrogen 2.868 N/A GLY 321.A N ASP 317.A O no hydrogen 2.742 N/A GLN 322.A N ASP 318.A O no hydrogen 2.778 N/A GLN 322.A NE2 PRO 380.A O no hydrogen 2.986 N/A TYR 323.A N VAL 319.A O no hydrogen 3.055 N/A TYR 324.A N ILE 320.A O no hydrogen 2.823 N/A GLY 325.A N GLY 321.A O no hydrogen 3.110 N/A GLN 326.A N GLN 322.A O no hydrogen 2.991 N/A THR 327.A N TYR 323.A O no hydrogen 3.023 N/A THR 327.A OG1 TYR 323.A O no hydrogen 2.697 N/A TYR 328.A N TYR 324.A O no hydrogen 2.779 N/A TYR 328.A OH ASP 46.A OD2 no hydrogen 2.376 N/A PHE 329.A N GLY 325.A O no hydrogen 3.094 N/A LYS 334.A N GLY 330.A O no hydrogen 3.093 N/A LYS 334.A NZ MET 377.A O no hydrogen 3.212 N/A ALA 335.A N ALA 331.A O no hydrogen 2.938 N/A ASP 336.A N ASP 332.A O no hydrogen 3.079 N/A VAL 337.A N ALA 333.A O no hydrogen 2.834 N/A THR 338.A N LYS 334.A O no hydrogen 2.803 N/A THR 338.A OG1 LYS 334.A O no hydrogen 2.809 N/A ALA 339.A N ALA 335.A O no hydrogen 3.015 N/A MET 340.A N ASP 336.A O no hydrogen 2.918 N/A VAL 341.A N VAL 337.A O no hydrogen 2.975 N/A LYS 342.A N THR 338.A O no hydrogen 3.024 N/A GLN 343.A N ALA 339.A O no hydrogen 2.877 N/A ILE 344.A N MET 340.A O no hydrogen 2.902 N/A LEU 345.A N VAL 341.A O no hydrogen 2.892 N/A ALA 346.A N LYS 342.A O no hydrogen 3.011 N/A GLN 347.A N GLN 343.A O no hydrogen 2.926 N/A TYR 348.A N ILE 344.A O no hydrogen 2.836 N/A TYR 348.A OH SER 478.A OG no hydrogen 2.685 N/A ARG 349.A N LEU 345.A O no hydrogen 3.043 N/A ARG 349.A NH2 LEU 370.A O no hydrogen 3.201 N/A VAL 350.A N ALA 346.A O no hydrogen 3.119 N/A GLN 351.A N GLN 347.A O no hydrogen 2.881 N/A GLN 351.A NE2 ASP 544.A OD1 no hydrogen 2.981 N/A LEU 352.A N TYR 348.A O no hydrogen 2.939 N/A GLU 353.A N ARG 349.A O no hydrogen 2.912 N/A ASN 354.A N VAL 350.A O no hydrogen 2.897 N/A ASN 355.A N GLN 351.A O no hydrogen 2.877 N/A ASN 355.A N LEU 352.A O no hydrogen 3.213 N/A THR 356.A N GLN 630.A OXT no hydrogen 2.874 N/A THR 356.A OG1 GLN 630.A O no hydrogen 2.554 N/A THR 356.A OG1 GLN 630.A OXT no hydrogen 3.222 N/A TRP 357.A NE1 ILE 627.A O no hydrogen 3.009 N/A SER 359.A N ASP 502.A OD1 no hydrogen 3.166 N/A SER 359.A N ASP 502.A OD2 no hydrogen 2.973 N/A SER 359.A OG ASP 502.A OD2 no hydrogen 2.674 N/A THR 362.A OG1 ASP 502.A OD2 no hydrogen 2.519 N/A LYS 363.A N SER 359.A O no hydrogen 2.936 N/A LYS 363.A NZ LEU 352.A O no hydrogen 3.087 N/A LYS 363.A NZ GLU 353.A O no hydrogen 2.749 N/A LYS 363.A NZ ASN 355.A O no hydrogen 2.812 N/A GLN 364.A N PRO 360.A O no hydrogen 3.006 N/A LYS 365.A N ALA 361.A O no hydrogen 3.343 N/A LYS 365.A NZ GLU 490.A OE1 no hydrogen 2.773 N/A LYS 365.A NZ GLU 490.A OE2 no hydrogen 3.456 N/A ALA 366.A N THR 362.A O no hydrogen 2.965 N/A MET 367.A N LYS 363.A O no hydrogen 2.937 N/A ARG 368.A N GLN 364.A O no hydrogen 2.968 N/A ARG 368.A NE GLU 490.A OE2 no hydrogen 3.046 N/A ARG 368.A NH2 TYR 491.A OH no hydrogen 2.955 N/A LYS 369.A N LYS 365.A O no hydrogen 3.278 N/A LYS 369.A NZ TYR 437.A OH no hydrogen 3.474 N/A LYS 369.A NZ SER 480.A O no hydrogen 2.941 N/A LYS 369.A NZ TYR 488.A O no hydrogen 2.942 N/A LEU 370.A N ALA 366.A O no hydrogen 3.417 N/A ALA 371.A N MET 367.A O no hydrogen 2.890 N/A THR 372.A N ARG 368.A O no hydrogen 2.893 N/A THR 372.A OG1 GLU 490.A O no hydrogen 2.799 N/A GLN 374.A N ASN 442.A O no hydrogen 3.112 N/A GLN 374.A NE2.B THR 372.A O no hydrogen 2.900 N/A LYS 376.A N ILE 444.A O no hydrogen 2.738 N/A LYS 376.A NZ ARG 423.A O no hydrogen 2.779 N/A LYS 376.A NZ GLN 425.A O no hydrogen 3.043 N/A LYS 376.A NZ ASP 443.A OD2 no hydrogen 3.132 N/A GLY 378.A N PHE 446.A O no hydrogen 2.767 N/A TYR 379.A N MET 377.A O no hydrogen 2.923 N/A TYR 387.A N PHE 384.A O no hydrogen 2.983 N/A TYR 387.A OH ASP 318.A OD2 no hydrogen 2.732 N/A ASP 388.A N SER 385.A O no hydrogen 2.830 N/A HIS 389.A N LEU 386.A O no hydrogen 2.815 N/A HIS 389.A ND1 SER 385.A O no hydrogen 2.997 N/A SER 391.A N GLN 408.A OE1 no hydrogen 2.950 N/A THR 400.A N ASP 397.A OD1 no hydrogen 2.817 N/A THR 400.A OG1.A ASP 397.A OD1 no hydrogen 2.566 N/A THR 400.A OG1.B ASP 397.A O no hydrogen 2.691 N/A THR 400.A OG1.B ASP 397.A OD1 no hydrogen 2.670 N/A ALA 401.A N ASP 397.A O no hydrogen 2.984 N/A ILE 402.A N LEU 398.A O no hydrogen 2.919 N/A LEU 403.A N LEU 399.A O no hydrogen 2.850 N/A LYS 404.A N THR 400.A O no hydrogen 3.074 N/A LYS 404.A NZ ASP 393.A OD2 no hydrogen 3.469 N/A LYS 404.A NZ ASP 396.A OD1 no hydrogen 3.541 N/A LYS 404.A NZ ASP 396.A OD2 no hydrogen 2.741 N/A LEU 405.A N ALA 401.A O no hydrogen 3.003 N/A SER 406.A N ILE 402.A O no hydrogen 2.904 N/A SER 406.A OG GLN 110.A OE1 no hydrogen 2.648 N/A ALA 407.A N LEU 403.A O no hydrogen 2.912 N/A GLN 408.A N LYS 404.A O no hydrogen 2.795 N/A GLN 408.A NE2 SER 391.A OG no hydrogen 2.859 N/A THR 409.A N LEU 405.A O no hydrogen 2.853 N/A THR 409.A OG1 LEU 405.A O no hydrogen 2.602 N/A GLN 410.A N SER 406.A O no hydrogen 2.988 N/A ALA 411.A N ALA 407.A O no hydrogen 3.019 N/A PHE 412.A N GLN 408.A O no hydrogen 2.978 N/A TRP 413.A N THR 409.A O no hydrogen 3.011 N/A PHE 414.A N GLN 410.A O no hydrogen 3.027 N/A LYS 415.A N ALA 411.A O no hydrogen 3.328 N/A LYS 415.A N PHE 412.A O no hydrogen 3.034 N/A GLN 416.A N TRP 413.A O no hydrogen 3.090 N/A GLN 416.A NE2 PHE 412.A O no hydrogen 2.975 N/A GLN 419.A N GLN 416.A O no hydrogen 3.148 N/A GLN 419.A NE2 LYS 415.A O no hydrogen 3.335 N/A VAL 421.A N GLU 127.A O no hydrogen 2.831 N/A ASN 424.A N ASP 422.A OD1 no hydrogen 3.071 N/A ASN 424.A ND2 ARG 382.A O no hydrogen 3.017 N/A GLN 425.A N ASP 422.A O no hydrogen 3.126 N/A HIS 431.A N HIS 431.A ND1 no hydrogen 2.986 N/A LEU 432.A N PRO 429.A O no hydrogen 3.139 N/A ALA 435.A N ASN 434.A OD1 no hydrogen 2.782 N/A SER 436.A N THR 445.A O no hydrogen 3.079 N/A SER 436.A OG ASN 427.A OD1 no hydrogen 2.654 N/A TYR 437.A OH ASN 442.A OD1 no hydrogen 2.654 N/A ASP 438.A N ASP 443.A O no hydrogen 3.020 N/A LEU 440.A N ASP 438.A OD1 no hydrogen 2.914 N/A LYS 441.A NZ ASP 422.A O no hydrogen 3.170 N/A LYS 441.A NZ GLN 425.A O no hydrogen 3.438 N/A ASN 442.A ND2 LYS 369.A O no hydrogen 2.782 N/A ASN 442.A ND2 THR 372.A OG1 no hydrogen 3.008 N/A ASP 443.A N ASP 438.A O no hydrogen 3.268 N/A ILE 444.A N GLN 374.A O no hydrogen 2.866 N/A THR 445.A N SER 436.A O no hydrogen 2.840 N/A PHE 446.A N LYS 376.A O no hydrogen 2.801 N/A ALA 448.A N GLY 378.A O no hydrogen 2.863 N/A GLY 449.A N GLY 430.A O no hydrogen 2.913 N/A ILE 450.A N PRO 447.A O no hydrogen 3.098 N/A LEU 451.A N ALA 448.A O no hydrogen 2.951 N/A GLN 452.A NE2 TYR 324.A OH no hydrogen 2.816 N/A GLN 452.A NE2 GLY 449.A O no hydrogen 2.908 N/A TYR 455.A N GLN 452.A O no hydrogen 2.840 N/A TYR 456.A N GLN 452.A O no hydrogen 3.106 N/A TYR 456.A OH ASP 336.A OD2 no hydrogen 2.694 N/A SER 457.A N ASN 465.A OD1 no hydrogen 2.886 N/A LYS 459.A N SER 457.A OG no hydrogen 3.047 N/A TRP 460.A N SER 457.A O no hydrogen 2.908 N/A THR 461.A N GLU 464.A OE1 no hydrogen 3.114 N/A ARG 462.A NH1 LEU 549.A O no hydrogen 3.226 N/A ARG 462.A NH2 GLN 343.A OE1 no hydrogen 2.669 N/A GLU 464.A N THR 461.A OG1 no hydrogen 3.147 N/A ASN 465.A N THR 461.A O no hydrogen 3.010 N/A ASN 465.A ND2 SER 457.A O no hydrogen 3.003 N/A LEU 466.A N ARG 462.A O no hydrogen 2.985 N/A GLY 467.A N ALA 463.A O no hydrogen 3.095 N/A GLY 468.A N GLU 464.A O no hydrogen 2.838 N/A THR 469.A N ASN 465.A O no hydrogen 2.683 N/A THR 469.A OG1 TYR 455.A O no hydrogen 2.616 N/A GLY 470.A N ASN 465.A O no hydrogen 2.905 N/A ALA 471.A N LEU 466.A O no hydrogen 2.876 N/A ILE 473.A N THR 469.A O no hydrogen 2.841 N/A GLY 474.A N GLY 470.A O no hydrogen 2.830 N/A HIS 475.A N ALA 471.A O no hydrogen 2.726 N/A HIS 475.A ND1 ASP 539.A OD1 no hydrogen 2.739 N/A GLU 476.A N THR 472.A O no hydrogen 2.927 N/A ILE 477.A N ILE 473.A O no hydrogen 3.084 N/A SER 478.A N GLY 474.A O no hydrogen 2.865 N/A SER 478.A OG TYR 348.A OH no hydrogen 2.685 N/A SER 478.A OG GLY 474.A O no hydrogen 2.658 N/A HIS 479.A N HIS 475.A O no hydrogen 3.156 N/A HIS 479.A N GLU 476.A O no hydrogen 3.203 N/A HIS 479.A ND1 ASP 482.A OD2 no hydrogen 2.503 N/A SER 480.A N ILE 477.A O no hydrogen 2.950 N/A SER 480.A OG ILE 477.A O no hydrogen 2.700 N/A PHE 481.A N SER 478.A O no hydrogen 3.055 N/A ASP 482.A N HIS 479.A O no hydrogen 3.464 N/A ASN 484.A N ASP 482.A OD1 no hydrogen 2.787 N/A GLY 485.A N ASP 482.A OD1 no hydrogen 2.716 N/A ALA 486.A N ASP 482.A O no hydrogen 2.983 N/A LEU 487.A N ASN 484.A O no hydrogen 2.922 N/A TYR 488.A N GLY 485.A O no hydrogen 2.847 N/A TYR 488.A OH ASP 205.A OD2 no hydrogen 2.724 N/A ASP 489.A N ASN 493.A O no hydrogen 2.797 N/A GLU 490.A N GLU 490.A OE1 no hydrogen 2.660 N/A TYR 491.A N ASP 489.A OD1 no hydrogen 2.877 N/A GLY 492.A N ASP 489.A O no hydrogen 3.006 N/A ASN 493.A N ASP 489.A OD1 no hydrogen 2.922 N/A LEU 494.A N MET 123.A O no hydrogen 2.877 N/A HIS 495.A N LEU 487.A O no hydrogen 3.075 N/A TRP 497.A NE1 TYR 488.A O no hydrogen 2.812 N/A TRP 498.A N ASN 496.A OD1 no hydrogen 3.066 N/A TRP 498.A NE1 ALA 486.A O no hydrogen 3.227 N/A THR 499.A N THR 362.A OG1 no hydrogen 3.238 N/A ASP 502.A N THR 499.A OG1 no hydrogen 3.198 N/A LYS 503.A N THR 499.A O no hydrogen 2.906 N/A LYS 503.A NZ ASP 507.A OD1 no hydrogen 3.217 N/A GLN 504.A N PRO 500.A O no hydrogen 2.916 N/A ALA 505.A N ALA 501.A O no hydrogen 2.981 N/A PHE 506.A N ASP 502.A O no hydrogen 2.930 N/A ASP 507.A N LYS 503.A O no hydrogen 2.910 N/A GLN 508.A N GLN 504.A O no hydrogen 3.177 N/A LEU 509.A N ALA 505.A O no hydrogen 3.198 N/A VAL 510.A N PHE 506.A O no hydrogen 3.019 N/A LYS 511.A N ASP 507.A O no hydrogen 2.863 N/A LYS 511.A NZ GLN 508.A OE1 no hydrogen 3.456 N/A ALA 512.A N GLN 508.A O no hydrogen 2.815 N/A MET 513.A N LEU 509.A O no hydrogen 2.802 N/A ALA 514.A N VAL 510.A O no hydrogen 2.884 N/A ALA 515.A N LYS 511.A O no hydrogen 3.086 N/A GLN 516.A N ALA 512.A O no hydrogen 2.882 N/A GLN 516.A N MET 513.A O no hydrogen 3.250 N/A PHE 517.A N ALA 514.A O no hydrogen 3.286 N/A ASP 518.A N ALA 514.A O no hydrogen 2.772 N/A GLY 519.A N VAL 527.A O no hydrogen 2.734 N/A ARG 520.A N PHE 517.A O no hydrogen 3.154 N/A ARG 520.A NE GLN 516.A O no hydrogen 2.738 N/A ARG 520.A NH2 GLN 516.A O no hydrogen 2.978 N/A TYR 522.A N VAL 525.A O no hydrogen 2.823 N/A GLY 524.A N ASP 521.A OD2 no hydrogen 3.217 N/A VAL 525.A N TYR 522.A O no hydrogen 2.761 N/A VAL 527.A N ARG 520.A O no hydrogen 2.813 N/A GLY 529.A N ASP 518.A OD1 no hydrogen 2.826 N/A THR 530.A N ASN 528.A OD1 no hydrogen 2.847 N/A LEU 531.A N ASN 528.A OD1 no hydrogen 2.896 N/A THR 532.A N ASN 528.A O no hydrogen 3.265 N/A THR 532.A OG1 ASN 528.A O no hydrogen 2.821 N/A VAL 533.A N THR 530.A O no hydrogen 3.224 N/A ASN 536.A N THR 532.A O no hydrogen 3.110 N/A MET 537.A N VAL 533.A O no hydrogen 2.921 N/A ALA 538.A N SER 534.A O no hydrogen 3.108 N/A ASP 539.A N GLU 535.A O no hydrogen 2.919 N/A ASN 540.A N ASN 536.A O no hydrogen 3.086 N/A ASN 540.A ND2 LEU 625.A O no hydrogen 2.905 N/A ALA 541.A N MET 537.A O no hydrogen 3.036 N/A GLY 542.A N ALA 538.A O no hydrogen 2.827 N/A MET 543.A N ASP 539.A O no hydrogen 2.968 N/A ASP 544.A N ASN 540.A O no hydrogen 3.032 N/A VAL 545.A N ALA 541.A O no hydrogen 3.171 N/A ALA 546.A N GLY 542.A O no hydrogen 3.212 N/A LEU 547.A N MET 543.A O no hydrogen 2.785 N/A ALA 548.A N ASP 544.A O no hydrogen 3.008 N/A LEU 549.A N VAL 545.A O no hydrogen 3.305 N/A LEU 549.A N ALA 546.A O no hydrogen 3.016 N/A LEU 550.A N LEU 547.A O no hydrogen 3.012 N/A GLY 551.A N ALA 548.A O no hydrogen 3.117 N/A LEU 559.A N ASP 555.A O no hydrogen 3.066 N/A GLN 560.A N VAL 556.A O no hydrogen 2.861 N/A GLN 560.A NE2 ALA 608.A O no hydrogen 3.006 N/A ALA 561.A N LYS 557.A O no hydrogen 2.990 N/A PHE 562.A N ASP 558.A O no hydrogen 2.907 N/A PHE 563.A N LEU 559.A O no hydrogen 3.154 N/A ILE 564.A N GLN 560.A O no hydrogen 2.924 N/A THR 565.A N ALA 561.A O no hydrogen 2.961 N/A THR 565.A OG1 ALA 561.A O no hydrogen 2.683 N/A TYR 566.A N PHE 562.A O no hydrogen 2.970 N/A TYR 566.A OH ARG 594.A O no hydrogen 2.681 N/A ALA 567.A N PHE 563.A O no hydrogen 2.960 N/A ARG 568.A N ILE 564.A O no hydrogen 2.911 N/A SER 569.A N THR 565.A O no hydrogen 3.024 N/A SER 569.A OG TYR 566.A O no hydrogen 2.697 N/A TRP 570.A N ALA 567.A O no hydrogen 3.195 N/A ALA 571.A N ARG 568.A O no hydrogen 3.166 N/A THR 572.A N TYR 9.A OH no hydrogen 2.917 N/A THR 572.A OG1 TRP 570.A O no hydrogen 2.893 N/A LYS 573.A N VAL 29.A O no hydrogen 2.706 N/A LYS 573.A NZ GLN 17.A O no hydrogen 2.764 N/A LYS 573.A NZ THR 20.A O no hydrogen 2.741 N/A ARG 575.A N SER 27.A O no hydrogen 3.151 N/A ARG 575.A NE LYS 26.A O no hydrogen 2.724 N/A ARG 575.A NH2 PRO 23.A O no hydrogen 2.969 N/A ARG 575.A NH2 LYS 26.A O no hydrogen 3.166 N/A GLU 577.A N GLU 577.A OE1 no hydrogen 2.748 N/A ALA 579.A N ARG 575.A O no hydrogen 3.022 N/A LYS 580.A N PRO 576.A O no hydrogen 3.123 N/A THR 581.A N GLU 577.A O no hydrogen 3.272 N/A THR 581.A OG1 LEU 295.A O no hydrogen 3.286 N/A THR 581.A OG1 GLU 577.A O no hydrogen 3.416 N/A VAL 582.A N ARG 578.A O no hydrogen 2.794 N/A LEU 583.A N ALA 579.A O no hydrogen 2.745 N/A ARG 584.A N THR 581.A O no hydrogen 3.119 N/A ARG 584.A NH2 GLU 152.A OE2 no hydrogen 2.520 N/A GLN 585.A N VAL 582.A O no hydrogen 2.974 N/A ASP 586.A N VAL 582.A O no hydrogen 2.775 N/A HIS 588.A N ASP 586.A OD1 no hydrogen 3.014 N/A HIS 588.A ND1 ASP 586.A OD1 no hydrogen 2.699 N/A LEU 593.A N PRO 590.A O no hydrogen 2.884 N/A ARG 594.A N PRO 590.A O no hydrogen 2.973 N/A ARG 594.A NE ASP 539.A OD2 no hydrogen 2.871 N/A ARG 594.A NH2 ASP 539.A OD1 no hydrogen 2.995 N/A ARG 594.A NH2 ASP 539.A OD2 no hydrogen 3.520 N/A VAL 595.A N ALA 591.A O no hydrogen 3.021 N/A ASN 596.A N THR 592.A O no hydrogen 2.946 N/A ASN 596.A ND2 ASP 7.A OD1 no hydrogen 2.825 N/A VAL 597.A N LEU 593.A O no hydrogen 2.941 N/A GLN 600.A N VAL 597.A O no hydrogen 3.462 N/A GLN 600.A NE2 ASN 596.A O no hydrogen 2.871 N/A ASN 601.A N PRO 598.A O no hydrogen 3.062 N/A PHE 602.A N VAL 599.A O no hydrogen 3.126 N/A TRP 605.A N PHE 602.A O no hydrogen 2.970 N/A TRP 605.A NE1 MET 617.A O no hydrogen 3.007 N/A TYR 606.A OH GLN 600.A O no hydrogen 2.578 N/A GLN 607.A N PRO 603.A O no hydrogen 3.031 N/A ALA 608.A N ALA 604.A O no hydrogen 2.676 N/A PHE 609.A N TRP 605.A O no hydrogen 3.341 N/A VAL 611.A N TYR 606.A O no hydrogen 3.100 N/A GLN 612.A N ASP 615.A OD2 no hydrogen 2.739 N/A GLN 612.A NE2 ASN 610.A O no hydrogen 3.080 N/A ASP 615.A N GLN 612.A O no hydrogen 2.995 N/A GLY 616.A N ASP 6.A OD1 no hydrogen 2.846 N/A MET 617.A N GLN 5.A O no hydrogen 2.744 N/A TYR 618.A N ASP 615.A O no hydrogen 3.213 N/A ARG 619.A N TYR 606.A OH no hydrogen 2.919 N/A ARG 619.A NH1 VAL 597.A O no hydrogen 2.958 N/A ARG 619.A NH2 VAL 597.A O no hydrogen 2.909 N/A GLN 622.A N GLN 620.A OE1.B no hydrogen 2.818 N/A LYS 623.A N GLN 620.A O no hydrogen 2.800 N/A ARG 624.A N PRO 621.A O no hydrogen 3.092 N/A ARG 624.A NE ARG 619.A O no hydrogen 2.771 N/A ARG 624.A NH2 ARG 619.A O no hydrogen 2.904 N/A THR 626.A OG1 HIS 629.A O no hydrogen 3.105 N/A HIS 629.A ND1 ASP 544.A OD1 no hydrogen 2.568 N/A GLN 630.A NE2 THR 626.A O no hydrogen 3.154 N/A GLN 630.A NE2 ILE 627.A O no hydrogen 3.287 N/A