Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5i23_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N ASN 19.A OD1 no hydrogen 2.792 N/A TYR 4.A N LYS 80.A O no hydrogen 2.974 N/A TYR 4.A OH HIS 7.A ND1 no hydrogen 2.583 N/A LYS 5.A N THR 17.A O no hydrogen 2.816 N/A GLU 6.A N THR 17.A O no hydrogen 3.203 N/A HIS 7.A ND1 TYR 4.A OH no hydrogen 2.583 N/A LYS 8.A N VAL 15.A O no hydrogen 2.934 N/A ARG 10.A N GLY 13.A O no hydrogen 2.924 N/A GLY 13.A N ARG 10.A O no hydrogen 3.002 N/A LEU 14.A N LEU 25.A O no hydrogen 2.922 N/A VAL 15.A N LYS 8.A O no hydrogen 2.864 N/A ILE 16.A N ILE 23.A O no hydrogen 2.854 N/A THR 17.A N GLU 6.A O no hydrogen 2.687 N/A THR 17.A OG1 ASN 22.A OD1 no hydrogen 2.845 N/A THR 18.A N GLY 21.A O no hydrogen 2.840 N/A THR 18.A OG1 GLY 21.A O no hydrogen 3.294 N/A ASN 19.A N PHE 3.A O no hydrogen 3.155 N/A ASN 19.A ND2 ALA 1.A O no hydrogen 2.843 N/A GLN 20.A N THR 18.A OG1 no hydrogen 2.939 N/A GLY 21.A N THR 18.A OG1 no hydrogen 3.269 N/A ILE 23.A N ILE 16.A O no hydrogen 2.811 N/A ARG 24.A N LEU 36.A O no hydrogen 2.844 N/A ARG 24.A NH2 GLU 34.A OE1 no hydrogen 2.971 N/A LEU 25.A N LEU 14.A O no hydrogen 2.775 N/A GLN 26.A N GLU 34.A O no hydrogen 3.022 N/A LYS 28.A N ALA 32.A O no hydrogen 2.883 N/A LYS 28.A NZ GLN 26.A OE1 no hydrogen 2.884 N/A LYS 28.A NZ GLU 34.A OE1 no hydrogen 3.190 N/A LYS 28.A NZ PRO 52.A O no hydrogen 2.789 N/A LYS 28.A NZ SER 54.A O no hydrogen 2.712 N/A ALA 31.A N SER 29.A OG no hydrogen 3.269 N/A ILE 33.A N LEU 198.A O no hydrogen 2.963 N/A GLU 34.A N GLN 26.A O no hydrogen 2.884 N/A VAL 35.A N TYR 196.A O no hydrogen 2.814 N/A LEU 36.A N ARG 24.A O no hydrogen 2.903 N/A TYR 37.A N SER 194.A O no hydrogen 2.928 N/A TYR 37.A OH GLU 97.A OE2 no hydrogen 2.632 N/A ARG 38.A NE SER 194.A OG no hydrogen 3.035 N/A ARG 38.A NH1 GLN 43.A OE1 no hydrogen 3.138 N/A ARG 38.A NH1 GLY 192.A O no hydrogen 3.099 N/A ALA 39.A N ASN 22.A O no hydrogen 3.005 N/A SER 41.A N ARG 38.A O no hydrogen 2.919 N/A SER 41.A OG ARG 38.A O no hydrogen 2.727 N/A GLN 43.A NE2 TYR 37.A O no hydrogen 3.130 N/A SER 46.A OG ASP 168.A OD2 no hydrogen 2.537 N/A PHE 47.A N ASP 168.A OD1 no hydrogen 3.190 N/A ALA 48.A N ASP 168.A OD1 no hydrogen 3.019 N/A LEU 49.A N SER 46.A OG no hydrogen 3.005 N/A ALA 50.A N VAL 214.A O no hydrogen 2.819 N/A SER 54.A N GLN 51.A O no hydrogen 3.130 N/A SER 54.A OG GLN 51.A O no hydrogen 3.186 N/A ILE 56.A N PHE 27.A O no hydrogen 2.973 N/A GLN 59.A N SER 70.A O no hydrogen 2.903 N/A THR 61.A N GLN 68.A O no hydrogen 2.954 N/A THR 63.A N HIS 66.A O no hydrogen 2.813 N/A THR 63.A OG1 HIS 66.A O no hydrogen 3.448 N/A HIS 66.A N THR 63.A OG1 no hydrogen 3.159 N/A LEU 67.A N ILE 78.A O no hydrogen 2.918 N/A GLN 68.A N THR 61.A O no hydrogen 2.843 N/A PHE 69.A N ALA 76.A O no hydrogen 2.861 N/A SER 70.A N GLN 59.A O no hydrogen 2.832 N/A SER 70.A OG GLY 71.A O no hydrogen 3.512 N/A SER 70.A OG THR 75.A OG1 no hydrogen 2.618 N/A GLY 71.A N LEU 74.A O no hydrogen 2.896 N/A GLY 72.A N GLU 30.A OE1 no hydrogen 2.945 N/A THR 73.A N GLU 30.A O no hydrogen 3.039 N/A THR 73.A OG1 GLU 30.A O no hydrogen 3.340 N/A LEU 74.A N GLU 30.A O no hydrogen 3.205 N/A THR 75.A N TYR 88.A O no hydrogen 2.917 N/A THR 75.A OG1 SER 70.A OG no hydrogen 2.618 N/A ALA 76.A N PHE 69.A O no hydrogen 2.818 N/A ARG 77.A N SER 86.A O no hydrogen 2.757 N/A ILE 78.A N LEU 67.A O no hydrogen 2.767 N/A GLN 79.A N ALA 84.A O no hydrogen 2.815 N/A GLN 79.A NE2 PRO 82.A O no hydrogen 3.035 N/A LYS 80.A N ASN 65.A O no hydrogen 2.833 N/A LYS 80.A NZ GLU 62.A OE2 no hydrogen 2.987 N/A LYS 80.A NZ THR 63.A O no hydrogen 2.897 N/A LYS 80.A NZ GLU 64.A O no hydrogen 3.284 N/A PHE 83.A N VAL 2.A O no hydrogen 2.809 N/A ALA 84.A N GLN 79.A O no hydrogen 3.208 N/A ILE 85.A N GLU 97.A OE1 no hydrogen 2.858 N/A SER 86.A N ARG 77.A O no hydrogen 2.837 N/A SER 86.A OG ARG 77.A O no hydrogen 3.510 N/A TYR 87.A N LEU 95.A O no hydrogen 2.768 N/A TYR 87.A OH TYR 196.A OH no hydrogen 2.603 N/A TYR 88.A N THR 75.A O no hydrogen 2.809 N/A ARG 89.A N GLU 92.A O no hydrogen 2.941 N/A ARG 89.A NH1 LYS 161.A O no hydrogen 3.181 N/A ARG 89.A NH2 GLU 92.A OE2 no hydrogen 3.484 N/A ARG 89.A NH2 LYS 161.A O no hydrogen 3.291 N/A GLU 92.A N ARG 89.A O no hydrogen 2.918 N/A LEU 94.A N TYR 87.A O no hydrogen 2.765 N/A LEU 95.A N TYR 87.A O no hydrogen 3.483 N/A GLU 97.A N ILE 85.A O no hydrogen 2.895 N/A GLU 98.A N ARG 107.A O no hydrogen 2.913 N/A SER 99.A N GLU 98.A OE1 no hydrogen 2.789 N/A SER 99.A OG GLU 98.A OE1 no hydrogen 2.802 N/A GLY 100.A N ARG 107.A O no hydrogen 3.034 N/A GLN 102.A N ASN 105.A O no hydrogen 2.981 N/A ILE 104.A N ALA 189.A O no hydrogen 2.957 N/A PHE 106.A N LEU 187.A O no hydrogen 2.854 N/A ARG 107.A N GLY 100.A O no hydrogen 2.877 N/A ARG 107.A NE GLU 98.A OE1 no hydrogen 2.781 N/A ARG 107.A NH1 GLU 181.A OE1 no hydrogen 2.842 N/A ARG 107.A NH1 GLN 186.A OE1 no hydrogen 2.904 N/A ARG 107.A NH2 GLU 98.A OE1 no hydrogen 3.389 N/A ARG 107.A NH2 GLU 98.A OE2 no hydrogen 2.990 N/A ARG 107.A NH2 GLU 181.A OE1 no hydrogen 3.289 N/A ARG 107.A NH2 GLU 181.A OE2 no hydrogen 2.987 N/A PHE 108.A N LEU 185.A O no hydrogen 2.884 N/A TYR 109.A N ALA 96.A O no hydrogen 2.791 N/A LEU 110.A N ASP 183.A O no hydrogen 2.876 N/A SER 111.A N GLU 114.A OE1 no hydrogen 2.969 N/A GLU 114.A N SER 111.A O no hydrogen 3.253 N/A LYS 115.A N SER 160.A OG no hydrogen 2.887 N/A LYS 115.A NZ ASP 127.A OD2 no hydrogen 2.745 N/A LYS 115.A NZ ASP 566.A OD1 no hydrogen 2.846 N/A LYS 115.A NZ ASP 566.A OD2 no hydrogen 3.505 N/A ILE 116.A N ASP 127.A OD1 no hydrogen 2.889 N/A LEU 117.A N MET 158.A O no hydrogen 2.835 N/A GLY 118.A N GLN 459.A OE1 no hydrogen 2.966 N/A GLY 119.A N ALA 156.A O no hydrogen 2.868 N/A GLN 121.A N PHE 152.A O no hydrogen 2.968 N/A ARG 122.A NE GLY 119.A O no hydrogen 2.910 N/A ARG 122.A NH1 PRO 134.A O no hydrogen 2.828 N/A ARG 122.A NH1 GLY 148.A O no hydrogen 2.752 N/A ARG 122.A NH2 GLY 119.A O no hydrogen 3.123 N/A ARG 122.A NH2 PRO 134.A O no hydrogen 3.151 N/A ILE 123.A N SER 147.A O no hydrogen 2.836 N/A LEU 124.A N GLU 455.A OE2 no hydrogen 3.034 N/A GLY 125.A N GLU 455.A OE2 no hydrogen 2.872 N/A ARG 128.A N ILE 116.A O no hydrogen 2.690 N/A ARG 128.A NE GLY 125.A O no hydrogen 2.783 N/A ARG 128.A NH1 GLY 118.A O no hydrogen 2.672 N/A ARG 128.A NH1 GLY 120.A O no hydrogen 3.121 N/A ARG 128.A NH2 ARG 122.A O no hydrogen 2.733 N/A ARG 128.A NH2 GLU 455.A OE2 no hydrogen 2.878 N/A ARG 129.A N ASP 127.A OD1 no hydrogen 3.065 N/A ARG 129.A NH1 SER 111.A O no hydrogen 2.706 N/A ARG 129.A NH1 GLU 114.A O no hydrogen 3.049 N/A ARG 129.A NH2 SER 182.A O no hydrogen 2.884 N/A GLY 130.A N ILE 177.A O no hydrogen 2.732 N/A GLN 131.A N ARG 128.A O no hydrogen 2.945 N/A ARG 132.A NH1 GLU 188.A OE1 no hydrogen 3.345 N/A ARG 132.A NH1 GLU 188.A OE2 no hydrogen 3.285 N/A ARG 132.A NH2 ASP 176.A OD2 no hydrogen 3.148 N/A ARG 132.A NH2 GLU 188.A OE2 no hydrogen 2.844 N/A PHE 133.A N MET 175.A O no hydrogen 2.916 N/A LEU 135.A N GLY 173.A O no hydrogen 2.806 N/A ASN 137.A N ASN 397.A OD1 no hydrogen 2.885 N/A ASN 137.A ND2 GLY 427.A O no hydrogen 3.421 N/A ARG 138.A N MET 150.A O no hydrogen 3.145 N/A HIS 140.A ND1 SER 147.A OG no hydrogen 2.655 N/A TYR 141.A OH ASP 477.A OD1 no hydrogen 2.644 N/A GLY 142.A N ASP 442.A O no hydrogen 2.824 N/A TYR 143.A N HIS 140.A O no hydrogen 3.285 N/A TYR 143.A OH THR 440.A O no hydrogen 2.635 N/A SER 144.A OG.A THR 446.A OG1 no hydrogen 3.052 N/A SER 147.A N ILE 123.A O no hydrogen 3.195 N/A SER 147.A OG HIS 140.A ND1 no hydrogen 2.655 N/A GLN 149.A N SER 147.A OG no hydrogen 3.250 N/A GLN 149.A NE2 TYR 136.A O no hydrogen 2.835 N/A PHE 152.A N GLN 121.A OE1 no hydrogen 3.094 N/A GLY 153.A N ASN 137.A OD1 no hydrogen 2.929 N/A LEU 154.A N GLY 119.A O no hydrogen 3.169 N/A ILE 157.A N LEU 165.A O no hydrogen 3.025 N/A MET 158.A N LEU 117.A O no hydrogen 2.813 N/A SER 159.A N TYR 163.A O no hydrogen 2.947 N/A SER 159.A OG GLU 114.A OE2 no hydrogen 2.669 N/A SER 160.A N LYS 115.A O no hydrogen 2.907 N/A SER 160.A OG LYS 115.A O no hydrogen 3.385 N/A LYS 161.A N SER 159.A OG no hydrogen 2.944 N/A GLN 162.A N SER 159.A O no hydrogen 2.754 N/A GLN 162.A NE2 GLU 559.A OE1 no hydrogen 2.905 N/A TYR 163.A OH GLU 114.A OE2 no hydrogen 2.554 N/A ILE 164.A N VAL 199.A O no hydrogen 2.794 N/A LEU 165.A N ILE 157.A O no hydrogen 3.126 N/A VAL 166.A N ILE 197.A O no hydrogen 2.780 N/A PHE 167.A N PRO 155.A O no hydrogen 2.820 N/A ASP 168.A N ALA 195.A O no hydrogen 3.094 N/A ASN 169.A N PHE 167.A O no hydrogen 2.888 N/A ASN 169.A ND2 SER 191.A O no hydrogen 2.842 N/A ASN 169.A ND2 ARG 193.A O no hydrogen 2.938 N/A SER 170.A OG THR 394.A O no hydrogen 2.690 N/A ALA 171.A N ASN 169.A OD1 no hydrogen 2.896 N/A SER 172.A N ASP 393.A O no hydrogen 2.827 N/A GLY 173.A N LEU 135.A O no hydrogen 2.903 N/A ALA 174.A N GLU 188.A O no hydrogen 2.862 N/A MET 175.A N PHE 133.A O no hydrogen 2.860 N/A ASP 176.A N GLN 186.A O no hydrogen 2.791 N/A ILE 177.A N GLN 131.A O no hydrogen 2.850 N/A GLY 178.A N ILE 184.A O no hydrogen 2.857 N/A LYS 179.A N ASP 176.A OD1 no hydrogen 2.969 N/A THR 180.A N ASP 176.A OD1 no hydrogen 3.112 N/A THR 180.A OG1 ASP 176.A OD2 no hydrogen 2.539 N/A ILE 184.A N GLU 181.A O no hydrogen 2.920 N/A LEU 185.A N PHE 108.A O no hydrogen 2.809 N/A GLN 186.A N ASP 176.A O no hydrogen 2.878 N/A GLN 186.A NE2 GLU 188.A OE2 no hydrogen 2.804 N/A LEU 187.A N PHE 106.A O no hydrogen 2.832 N/A GLU 188.A N ALA 174.A O no hydrogen 2.976 N/A ALA 189.A N ILE 104.A O no hydrogen 2.944 N/A LYS 190.A N SER 172.A O no hydrogen 2.985 N/A SER 191.A OG THR 394.A OG1 no hydrogen 2.730 N/A ARG 193.A NH1 LEU 44.A O no hydrogen 2.963 N/A ARG 193.A NH2 GLU 34.A OE2 no hydrogen 2.838 N/A SER 194.A N GLN 43.A OE1 no hydrogen 2.935 N/A SER 194.A OG TYR 37.A O no hydrogen 2.838 N/A SER 194.A OG GLN 43.A OE1 no hydrogen 3.250 N/A TYR 196.A N VAL 35.A O no hydrogen 2.987 N/A TYR 196.A OH TYR 87.A OH no hydrogen 2.603 N/A TYR 196.A OH GLU 97.A OE2 no hydrogen 2.633 N/A ILE 197.A N VAL 166.A O no hydrogen 2.885 N/A LEU 198.A N ILE 33.A O no hydrogen 2.963 N/A VAL 199.A N ILE 164.A O no hydrogen 2.718 N/A ALA 200.A N ALA 31.A O no hydrogen 2.909 N/A GLY 201.A N GLN 162.A O no hydrogen 3.314 N/A SER 203.A OG ASN 202.A OD1 no hydrogen 3.118 N/A SER 203.A OG SER 206.A OG no hydrogen 2.940 N/A TYR 204.A N GLU 559.A OE2 no hydrogen 2.906 N/A SER 206.A N SER 203.A OG no hydrogen 3.068 N/A SER 206.A OG ASN 202.A OD1 no hydrogen 3.051 N/A SER 206.A OG SER 203.A OG no hydrogen 2.940 N/A LEU 207.A N SER 203.A O no hydrogen 2.931 N/A ILE 208.A N TYR 204.A O no hydrogen 2.990 N/A GLU 209.A N PRO 205.A O no hydrogen 2.829 N/A ASN 210.A N SER 206.A O no hydrogen 2.756 N/A ASN 210.A ND2 ALA 200.A O no hydrogen 2.838 N/A PHE 211.A N LEU 207.A O no hydrogen 2.794 N/A THR 212.A N ILE 208.A O no hydrogen 2.928 N/A THR 212.A OG1 ILE 208.A O no hydrogen 2.944 N/A THR 212.A OG1 GLU 209.A O no hydrogen 3.414 N/A THR 212.A OG1 THR 546.A O no hydrogen 3.558 N/A GLN 213.A N GLU 209.A O no hydrogen 3.016 N/A THR 215.A N PHE 211.A O no hydrogen 2.941 N/A THR 215.A OG1 PHE 211.A O no hydrogen 2.785 N/A GLY 216.A N THR 212.A O no hydrogen 2.845 N/A ARG 217.A NE THR 212.A OG1 no hydrogen 2.803 N/A ARG 217.A NH2 GLU 209.A O no hydrogen 2.815 N/A GLN 218.A NE2 MET 436.A O no hydrogen 3.429 N/A ARG 223.A N GLY 673.A O no hydrogen 3.029 N/A ALA 225.A N PRO 222.A O no hydrogen 2.947 N/A LEU 226.A N ARG 223.A O no hydrogen 2.924 N/A GLY 227.A N TRP 224.A O no hydrogen 2.966 N/A SER 228.A N TYR 530.A OH no hydrogen 2.812 N/A SER 228.A OG PRO 254.A O no hydrogen 2.724 N/A PHE 229.A N TYR 499.A O no hydrogen 3.088 N/A ALA 230.A N THR 257.A O no hydrogen 2.815 N/A SER 231.A OG HIS 502.A ND1 no hydrogen 2.742 N/A ARG 232.A NE GLU 510.A OE2 no hydrogen 2.781 N/A ARG 232.A NH2 GLU 510.A OE1 no hydrogen 2.985 N/A ARG 232.A NH2 GLU 510.A OE2 no hydrogen 3.541 N/A PHE 233.A N GLY 503.A O no hydrogen 2.887 N/A GLY 234.A N ASP 505.A OD2 no hydrogen 2.952 N/A TYR 235.A OH GLU 510.A OE2 no hydrogen 2.648 N/A ARG 236.A N GLU 240.A OE2 no hydrogen 2.808 N/A ARG 236.A NE GLY 234.A O no hydrogen 3.347 N/A ARG 236.A NE ASP 505.A OD2 no hydrogen 2.890 N/A ARG 236.A NH2 ASP 505.A OD1 no hydrogen 3.233 N/A ARG 236.A NH2 ASP 505.A OD2 no hydrogen 3.118 N/A GLU 238.A N ASN 282.A O no hydrogen 2.814 N/A GLU 240.A N SER 237.A OG no hydrogen 2.936 N/A THR 241.A N SER 237.A O no hydrogen 2.947 N/A THR 241.A OG1 SER 237.A O no hydrogen 2.787 N/A ARG 242.A N GLU 238.A O no hydrogen 2.840 N/A ARG 242.A NE GLU 238.A OE2 no hydrogen 2.884 N/A ARG 242.A NH1 ASP 292.A OD2 no hydrogen 2.785 N/A ARG 242.A NH2 GLU 238.A OE2 no hydrogen 3.094 N/A ARG 242.A NH2 ASP 292.A OD2 no hydrogen 2.965 N/A ALA 243.A N ALA 239.A O no hydrogen 2.896 N/A THR 244.A N GLU 240.A O no hydrogen 3.019 N/A THR 244.A OG1 GLU 240.A O no hydrogen 3.060 N/A VAL 245.A N THR 241.A O no hydrogen 3.110 N/A GLN 246.A N ARG 242.A O no hydrogen 2.992 N/A LYS 247.A N ALA 243.A O no hydrogen 2.825 N/A TYR 248.A N THR 244.A O no hydrogen 3.142 N/A LYS 249.A N VAL 245.A O no hydrogen 3.298 N/A LYS 249.A NZ GLN 296.A O no hydrogen 3.239 N/A THR 250.A N GLN 246.A O no hydrogen 2.858 N/A THR 250.A OG1 GLN 246.A O no hydrogen 3.351 N/A THR 250.A OG1 LYS 247.A O no hydrogen 3.546 N/A GLU 251.A N LYS 247.A O no hydrogen 2.822 N/A ASP 252.A N LYS 249.A O no hydrogen 3.325 N/A PHE 253.A N TYR 248.A O no hydrogen 3.003 N/A LEU 255.A N SER 641.A O no hydrogen 2.739 N/A ASP 256.A N SER 228.A O no hydrogen 2.854 N/A THR 257.A N SER 228.A O no hydrogen 3.344 N/A ILE 258.A N LYS 299.A O no hydrogen 2.791 N/A VAL 259.A N ALA 230.A O no hydrogen 2.909 N/A LEU 260.A N VAL 301.A O no hydrogen 2.775 N/A LEU 262.A N ASP 261.A OD1 no hydrogen 2.672 N/A TRP 264.A N ASP 261.A O no hydrogen 3.187 N/A TRP 264.A NE1 ILE 303.A O no hydrogen 2.934 N/A PHE 265.A N LEU 262.A O no hydrogen 3.390 N/A GLY 271.A N PHE 339.A O no hydrogen 3.053 N/A HIS 272.A NE2 ASP 268.A OD2 no hydrogen 2.785 N/A ASN 275.A N HIS 272.A O no hydrogen 2.888 N/A ASN 275.A ND2 PHE 265.A O no hydrogen 3.168 N/A TRP 278.A N ASP 277.A OD1 no hydrogen 2.757 N/A TRP 278.A NE1 GLN 366.A OE1 no hydrogen 2.916 N/A ASP 279.A N TRP 264.A O no hydrogen 2.821 N/A GLU 281.A N ASP 279.A OD1 no hydrogen 3.179 N/A ASN 282.A N ASP 279.A O no hydrogen 3.167 N/A ASN 282.A ND2 ASP 279.A OD2 no hydrogen 2.865 N/A PHE 283.A N ASP 279.A O no hydrogen 2.777 N/A THR 285.A N GLU 238.A OE1 no hydrogen 2.801 N/A THR 285.A OG1 GLU 238.A OE1 no hydrogen 3.188 N/A THR 285.A OG1 GLU 238.A OE2 no hydrogen 2.684 N/A MET 289.A N THR 285.A O no hydrogen 2.969 N/A MET 290.A N PRO 286.A O no hydrogen 2.999 N/A ALA 291.A N LEU 287.A O no hydrogen 2.969 N/A ASP 292.A N ASP 288.A O no hydrogen 2.723 N/A PHE 293.A N MET 289.A O no hydrogen 2.904 N/A LYS 294.A N MET 290.A O no hydrogen 2.869 N/A GLN 295.A N ALA 291.A O no hydrogen 3.013 N/A GLN 296.A N PHE 293.A O no hydrogen 2.940 N/A GLY 297.A N LYS 294.A O no hydrogen 2.890 N/A VAL 298.A N PHE 293.A O no hydrogen 2.840 N/A LYS 299.A N ASP 256.A O no hydrogen 2.759 N/A LYS 299.A NZ ASP 256.A O no hydrogen 3.190 N/A LYS 299.A NZ ASP 256.A OD2 no hydrogen 2.863 N/A LYS 299.A NZ GLY 297.A O no hydrogen 2.791 N/A LYS 299.A NZ GLU 644.A OE2 no hydrogen 2.951 N/A VAL 301.A N ILE 258.A O no hydrogen 2.975 N/A ILE 303.A N LEU 260.A O no hydrogen 2.954 N/A THR 304.A N TRP 372.A O no hydrogen 2.812 N/A THR 304.A OG1 TYR 360.A OH no hydrogen 2.685 N/A THR 304.A OG1 TRP 372.A O no hydrogen 3.166 N/A VAL 308.A N GLY 343.A O no hydrogen 2.965 N/A LEU 309.A N MET 273.A O no hydrogen 2.990 N/A THR 310.A N ASN 341.A O no hydrogen 2.780 N/A THR 310.A OG1 ASN 341.A O no hydrogen 3.310 N/A THR 310.A OG1 ASN 341.A OD1 no hydrogen 3.313 N/A SER 311.A OG GLY 271.A O no hydrogen 2.801 N/A SER 312.A N LEU 309.A O no hydrogen 3.045 N/A SER 312.A OG LEU 309.A O no hydrogen 2.918 N/A LYS 313.A N ASN 275.A OD1 no hydrogen 2.654 N/A ARG 314.A N SER 312.A OG no hydrogen 3.411 N/A ARG 314.A NE ASN 275.A O no hydrogen 2.836 N/A ARG 314.A NH2 LEU 276.A O no hydrogen 3.033 N/A TRP 315.A N SER 312.A O no hydrogen 3.492 N/A ALA 318.A N ARG 314.A O no hydrogen 2.863 N/A VAL 319.A N TRP 315.A O no hydrogen 2.982 N/A LYS 320.A N ASP 316.A O no hydrogen 2.909 N/A ALA 321.A N ASP 317.A O no hydrogen 2.840 N/A LYS 322.A N VAL 319.A O no hydrogen 2.989 N/A ALA 323.A N ALA 318.A O no hydrogen 2.968 N/A ALA 325.A N ILE 344.A O no hydrogen 2.830 N/A LYS 326.A N GLN 386.A O no hydrogen 3.108 N/A ASP 327.A N GLN 331.A O no hydrogen 2.882 N/A GLY 330.A N ASP 327.A O no hydrogen 2.925 N/A GLN 331.A N ASP 327.A OD1 no hydrogen 3.039 N/A LYS 333.A N ALA 325.A O no hydrogen 2.972 N/A LYS 333.A NZ ASP 384.A OD1 no hydrogen 3.241 N/A LYS 333.A NZ ASP 384.A OD2 no hydrogen 3.241 N/A PHE 335.A N GLY 342.A O no hydrogen 2.787 N/A LEU 337.A N GLY 340.A O no hydrogen 2.728 N/A GLY 340.A N LEU 337.A O no hydrogen 3.117 N/A ASN 341.A ND2 GLU 336.A OE2 no hydrogen 2.921 N/A GLY 342.A N PHE 335.A O no hydrogen 2.893 N/A GLY 343.A N VAL 308.A O no hydrogen 2.962 N/A ILE 345.A N PRO 306.A O no hydrogen 2.882 N/A ASP 346.A N ALA 323.A O no hydrogen 2.823 N/A VAL 347.A N ILE 345.A O no hydrogen 3.066 N/A PHE 348.A N ASP 346.A OD1 no hydrogen 3.130 N/A SER 349.A N ASP 346.A O no hydrogen 3.066 N/A SER 349.A OG ASP 346.A O no hydrogen 2.845 N/A GLU 351.A N GLU 351.A OE1 no hydrogen 2.831 N/A GLY 352.A N SER 349.A OG no hydrogen 2.954 N/A SER 353.A N SER 349.A O no hydrogen 3.014 N/A SER 353.A OG SER 349.A O no hydrogen 2.728 N/A ARG 354.A N LYS 350.A O no hydrogen 2.983 N/A TRP 355.A N GLU 351.A O no hydrogen 3.049 N/A TRP 355.A NE1 ASP 317.A OD2 no hydrogen 2.916 N/A PHE 356.A N GLY 352.A O no hydrogen 2.988 N/A SER 357.A N SER 353.A O no hydrogen 2.897 N/A SER 357.A OG SER 353.A O no hydrogen 2.826 N/A SER 358.A N.A ARG 354.A O no hydrogen 3.000 N/A SER 358.A N.B ARG 354.A O no hydrogen 3.009 N/A SER 358.A OG.B ARG 354.A O no hydrogen 2.786 N/A ILE 359.A N TRP 355.A O no hydrogen 3.433 N/A TYR 360.A N PHE 356.A O no hydrogen 3.123 N/A TYR 360.A OH THR 304.A OG1 no hydrogen 2.685 N/A LYS 361.A N SER 357.A O no hydrogen 2.904 N/A ASP 362.A N SER 358.A O.A no hydrogen 3.056 N/A ASP 362.A N SER 358.A O.B no hydrogen 3.095 N/A LEU 363.A N ILE 359.A O no hydrogen 3.122 N/A SER 364.A N TYR 360.A O no hydrogen 2.892 N/A SER 364.A OG TYR 360.A O no hydrogen 2.703 N/A LYS 365.A N LYS 361.A O no hydrogen 2.879 N/A GLN 366.A N ASP 362.A O no hydrogen 3.126 N/A GLN 366.A NE2 ASP 362.A O no hydrogen 3.624 N/A GLN 366.A NE2 ASP 362.A OD1 no hydrogen 3.137 N/A GLY 367.A N SER 364.A O no hydrogen 3.068 N/A VAL 368.A N LEU 363.A O no hydrogen 3.445 N/A ALA 369.A N THR 300.A O no hydrogen 2.990 N/A TRP 371.A N PHE 421.A O no hydrogen 2.922 N/A TRP 371.A NE1 SER 364.A OG no hydrogen 3.026 N/A TRP 372.A N LEU 302.A O no hydrogen 3.127 N/A GLY 373.A N MET 423.A O no hydrogen 2.769 N/A ASP 374.A N THR 304.A O no hydrogen 2.969 N/A GLU 379.A N LEU 375.A O no hydrogen 3.012 N/A HIS 381.A ND1 HIS 396.A ND1 no hydrogen 3.040 N/A HIS 381.A NE2 HIS 387.A NE2 no hydrogen 2.968 N/A THR 385.A N PRO 382.A O no hydrogen 2.993 N/A THR 385.A OG1 PRO 382.A O no hydrogen 2.726 N/A GLN 386.A N LYS 326.A O no hydrogen 2.801 N/A GLN 386.A NE2 ASP 384.A O no hydrogen 2.866 N/A HIS 387.A N GLY 390.A O no hydrogen 2.888 N/A HIS 387.A ND1 ASP 346.A OD1 no hydrogen 2.629 N/A HIS 387.A NE2 HIS 381.A NE2 no hydrogen 2.968 N/A ALA 388.A N ASP 346.A OD2 no hydrogen 2.834 N/A GLY 390.A N HIS 387.A O no hydrogen 3.261 N/A ALA 392.A N THR 385.A O no hydrogen 2.918 N/A THR 394.A N ASP 391.A O no hydrogen 3.026 N/A THR 394.A N ASP 391.A OD1 no hydrogen 2.993 N/A THR 394.A OG1 SER 191.A OG no hydrogen 2.730 N/A THR 394.A OG1 ASP 391.A OD1 no hydrogen 2.532 N/A VAL 395.A N ASP 391.A O no hydrogen 3.093 N/A HIS 396.A ND1 HIS 381.A ND1 no hydrogen 3.040 N/A HIS 396.A NE2 ASN 137.A O no hydrogen 2.716 N/A ASN 397.A N SER 170.A O no hydrogen 2.925 N/A ASN 397.A ND2 LEU 135.A O no hydrogen 3.050 N/A ALA 398.A N VAL 395.A O no hydrogen 2.974 N/A TYR 399.A N HIS 396.A O no hydrogen 3.243 N/A TYR 399.A OH ILE 345.A O no hydrogen 2.674 N/A HIS 401.A ND1 SER 431.A OG no hydrogen 2.696 N/A ARG 402.A N ALA 398.A O no hydrogen 2.968 N/A ARG 402.A NE VAL 347.A O no hydrogen 2.831 N/A ARG 402.A NH1 GLU 405.A OE1 no hydrogen 2.866 N/A ARG 402.A NH1 GLN 409.A OE1 no hydrogen 3.223 N/A ARG 402.A NH2 SER 353.A OG no hydrogen 2.952 N/A TRP 403.A N TYR 399.A O no hydrogen 2.843 N/A TRP 403.A NE1 TYR 360.A OH no hydrogen 2.964 N/A ALA 404.A N GLY 400.A O no hydrogen 2.863 N/A GLU 405.A N HIS 401.A O no hydrogen 2.967 N/A MET 406.A N ARG 402.A O no hydrogen 2.917 N/A LEU 407.A N TRP 403.A O no hydrogen 3.025 N/A TYR 408.A N ALA 404.A O no hydrogen 2.787 N/A GLN 409.A N GLU 405.A O no hydrogen 2.893 N/A GLN 410.A N MET 406.A O no hydrogen 2.983 N/A GLN 410.A NE2 GLN 414.A OE1 no hydrogen 2.908 N/A GLN 411.A N LEU 407.A O no hydrogen 2.885 N/A GLN 411.A NE2 SER 364.A OG no hydrogen 3.036 N/A GLN 411.A NE2 GLN 410.A OE1 no hydrogen 2.906 N/A LEU 412.A N TYR 408.A O no hydrogen 2.971 N/A ASP 413.A N GLN 409.A O no hydrogen 2.959 N/A GLN 414.A N GLN 410.A O no hydrogen 2.943 N/A GLN 414.A NE2 LYS 361.A O no hydrogen 2.915 N/A PHE 415.A N GLN 411.A O no hydrogen 2.816 N/A LEU 418.A N PHE 415.A O no hydrogen 3.094 N/A ARG 419.A NE ASP 675.A O no hydrogen 3.016 N/A ARG 419.A NH1 PRO 221.A O no hydrogen 2.881 N/A ARG 419.A NH1 TYR 537.A OH no hydrogen 2.829 N/A ARG 419.A NH2 TYR 537.A OH no hydrogen 3.524 N/A ARG 419.A NH2 ASP 671.A OD2 no hydrogen 2.794 N/A ARG 419.A NH2 ASP 675.A O no hydrogen 2.865 N/A MET 423.A N TRP 371.A O no hydrogen 2.881 N/A MET 424.A N ILE 437.A O no hydrogen 3.144 N/A ARG 425.A NE GLU 377.A OE2 no hydrogen 2.749 N/A ARG 425.A NH2 GLU 377.A OE1 no hydrogen 2.955 N/A ARG 425.A NH2 GLU 377.A OE2 no hydrogen 3.457 N/A ARG 425.A NH2 GLU 379.A OE2 no hydrogen 2.899 N/A PHE 428.A N SER 431.A OG no hydrogen 2.918 N/A SER 431.A N PHE 428.A O no hydrogen 3.117 N/A SER 431.A OG HIS 401.A ND1 no hydrogen 2.696 N/A SER 431.A OG PHE 428.A O no hydrogen 3.104 N/A GLN 432.A N GLN 432.A OE1 no hydrogen 2.832 N/A GLN 432.A NE2 THR 215.A OG1 no hydrogen 3.364 N/A GLN 432.A NE2 GLY 216.A O no hydrogen 2.832 N/A ARG 433.A N GLY 430.A O no hydrogen 2.872 N/A ARG 433.A NE TYR 434.A OH no hydrogen 3.231 N/A ARG 433.A NH1 PHE 47.A O no hydrogen 3.247 N/A ARG 433.A NH1 THR 215.A O no hydrogen 2.959 N/A ARG 433.A NH2 PHE 47.A O no hydrogen 3.077 N/A ARG 433.A NH2 TYR 434.A OH no hydrogen 2.906 N/A TYR 434.A N SER 431.A O no hydrogen 2.939 N/A GLY 435.A N GLN 432.A O no hydrogen 3.065 N/A ILE 437.A N ILE 422.A O no hydrogen 2.906 N/A THR 440.A N HIS 469.A O no hydrogen 2.979 N/A THR 440.A OG1 TYR 143.A OH no hydrogen 3.110 N/A THR 440.A OG1 GLN 453.A OE1 no hydrogen 2.706 N/A ASP 442.A N TYR 151.A OH no hydrogen 3.186 N/A VAL 443.A N GLY 441.A O no hydrogen 2.884 N/A SER 444.A N TYR 143.A O no hydrogen 3.012 N/A SER 444.A OG TYR 143.A O no hydrogen 2.882 N/A SER 444.A OG THR 446.A OG1 no hydrogen 2.713 N/A ARG 445.A N ALA 476.A O no hydrogen 3.350 N/A ARG 445.A NH1 ASP 477.A O no hydrogen 3.107 N/A ARG 445.A NH1 GLN 504.A O no hydrogen 3.065 N/A ARG 445.A NH2 GLN 504.A O no hydrogen 3.067 N/A THR 446.A OG1 SER 144.A OG.A no hydrogen 3.052 N/A THR 446.A OG1 SER 444.A OG no hydrogen 2.713 N/A GLY 449.A N THR 446.A OG1 no hydrogen 3.153 N/A LEU 450.A N THR 446.A O no hydrogen 3.148 N/A ALA 451.A N TRP 447.A O no hydrogen 2.776 N/A SER 452.A N GLY 448.A O no hydrogen 3.173 N/A SER 452.A OG SER 144.A O.A no hydrogen 2.717 N/A SER 452.A OG SER 144.A O.B no hydrogen 2.765 N/A SER 452.A OG GLY 448.A O no hydrogen 2.948 N/A GLN 453.A N LEU 450.A O no hydrogen 3.080 N/A GLN 453.A NE2 TYR 143.A OH no hydrogen 3.155 N/A GLN 453.A NE2 GLY 449.A O no hydrogen 2.799 N/A LEU 456.A N SER 452.A O no hydrogen 3.081 N/A ALA 457.A N GLN 453.A O no hydrogen 2.866 N/A LEU 458.A N VAL 454.A O no hydrogen 2.954 N/A GLN 459.A N GLU 455.A O no hydrogen 3.028 N/A GLN 459.A NE2 MET 126.A O no hydrogen 2.882 N/A MET 460.A N LEU 456.A O no hydrogen 3.184 N/A SER 461.A N ALA 457.A O no hydrogen 2.774 N/A SER 461.A OG ALA 457.A O no hydrogen 2.714 N/A LEU 462.A N LEU 458.A O no hydrogen 2.943 N/A LEU 463.A N MET 460.A O no hydrogen 3.242 N/A GLY 464.A N SER 461.A O no hydrogen 3.512 N/A PHE 465.A N MET 460.A O no hydrogen 3.025 N/A HIS 469.A N PRO 438.A O no hydrogen 3.254 N/A HIS 469.A ND1 TYR 467.A O no hydrogen 2.988 N/A SER 470.A N GLN 496.A OE1 no hydrogen 3.402 N/A LEU 472.A N ARG 500.A O no hydrogen 3.137 N/A GLY 474.A N ASP 471.A O no hydrogen 3.004 N/A PHE 475.A N VAL 443.A O no hydrogen 3.084 N/A ALA 476.A N VAL 443.A O no hydrogen 2.914 N/A ASP 477.A N GLN 504.A OE1 no hydrogen 2.849 N/A LYS 483.A NZ ASP 515.A OD1 no hydrogen 3.560 N/A LYS 483.A NZ ASP 515.A OD2 no hydrogen 2.895 N/A LYS 483.A NZ GLU 517.A OE1 no hydrogen 2.641 N/A MET 485.A N ASP 482.A OD1 no hydrogen 3.354 N/A TYR 486.A N ASP 482.A O no hydrogen 2.948 N/A TYR 486.A OH SER 509.A O no hydrogen 2.635 N/A ILE 487.A N LYS 483.A O no hydrogen 2.995 N/A ARG 488.A N GLU 484.A O no hydrogen 3.028 N/A ARG 488.A NH1 GLN 491.A OE1 no hydrogen 2.979 N/A ARG 488.A NH1 ASP 620.A O no hydrogen 3.103 N/A ARG 488.A NH1 THR 623.A O no hydrogen 2.847 N/A ARG 488.A NH2 ASP 620.A O no hydrogen 2.882 N/A TRP 489.A N MET 485.A O no hydrogen 2.912 N/A TRP 489.A NE1 SER 470.A OG no hydrogen 3.093 N/A LEU 490.A N TYR 486.A O no hydrogen 2.953 N/A GLN 491.A N ILE 487.A O no hydrogen 2.879 N/A GLN 491.A NE2 LEU 621.A O no hydrogen 2.823 N/A TYR 492.A N ARG 488.A O no hydrogen 3.034 N/A GLY 493.A N TRP 489.A O no hydrogen 2.882 N/A VAL 494.A N GLN 491.A O no hydrogen 3.075 N/A PHE 495.A N TYR 492.A O no hydrogen 2.828 N/A GLN 496.A N GLY 493.A O no hydrogen 3.368 N/A GLN 496.A NE2 GLY 493.A O no hydrogen 3.054 N/A GLN 496.A NE2 VAL 498.A O no hydrogen 2.902 N/A TYR 499.A OH LEU 490.A O no hydrogen 2.839 N/A ARG 500.A NE HIS 469.A NE2 no hydrogen 3.089 N/A ARG 500.A NH1 ASP 471.A OD1 no hydrogen 3.012 N/A ARG 500.A NH2 HIS 469.A NE2 no hydrogen 3.409 N/A ARG 500.A NH2 ASP 471.A OD1 no hydrogen 2.586 N/A HIS 502.A N LEU 472.A O no hydrogen 3.412 N/A GLN 504.A N PHE 475.A O no hydrogen 3.023 N/A GLN 504.A NE2 TYR 141.A OH no hydrogen 2.912 N/A ASP 505.A N PHE 233.A O no hydrogen 2.915 N/A HIS 506.A NE2 ASP 477.A O no hydrogen 2.949 N/A HIS 506.A NE2 GLY 478.A O no hydrogen 2.741 N/A ILE 507.A N GLN 504.A O no hydrogen 3.293 N/A SER 509.A OG SER 231.A O no hydrogen 2.747 N/A GLU 510.A N GLU 510.A OE1 no hydrogen 2.654 N/A PHE 513.A N GLU 510.A O no hydrogen 3.238 N/A GLN 514.A NE2 PRO 508.A O no hydrogen 3.130 N/A GLN 514.A NE2 GLU 510.A O no hydrogen 3.182 N/A THR 518.A N ASP 515.A OD1 no hydrogen 2.884 N/A THR 518.A OG1 ASP 515.A OD1 no hydrogen 2.822 N/A LYS 519.A N ASP 515.A O no hydrogen 2.921 N/A LYS 519.A NZ GLU 251.A OE1 no hydrogen 2.819 N/A LYS 519.A NZ GLU 516.A OE2 no hydrogen 2.947 N/A ALA 520.A N GLU 516.A O no hydrogen 2.827 N/A ILE 521.A N GLU 517.A O no hydrogen 3.080 N/A LEU 522.A N THR 518.A O no hydrogen 2.889 N/A ARG 523.A N LYS 519.A O no hydrogen 2.829 N/A ARG 523.A NE GLU 251.A O no hydrogen 2.823 N/A ARG 523.A NE ASP 252.A O no hydrogen 3.301 N/A ARG 523.A NH2 GLU 251.A O no hydrogen 2.847 N/A VAL 526.A N LEU 522.A O no hydrogen 2.831 N/A LYS 527.A N ARG 523.A O no hydrogen 2.969 N/A LYS 527.A NZ ASP 252.A OD2 no hydrogen 2.720 N/A LEU 528.A N PRO 524.A O no hydrogen 2.845 N/A ARG 529.A N LEU 525.A O no hydrogen 3.009 N/A ARG 529.A NE LEU 226.A O no hydrogen 2.984 N/A ARG 529.A NH1 VAL 494.A O no hydrogen 2.995 N/A ARG 529.A NH1 GLN 496.A O no hydrogen 2.904 N/A ARG 529.A NH2 LEU 226.A O no hydrogen 3.348 N/A ARG 529.A NH2 PRO 497.A O no hydrogen 2.899 N/A TYR 530.A N VAL 526.A O no hydrogen 3.377 N/A TYR 530.A OH ASP 256.A OD1 no hydrogen 2.516 N/A ARG 531.A N LYS 527.A O no hydrogen 2.836 N/A MET 532.A N LEU 528.A O no hydrogen 2.805 N/A LEU 533.A N TYR 530.A O no hydrogen 3.053 N/A TYR 535.A OH TRP 573.A O no hydrogen 2.632 N/A ILE 536.A N MET 532.A O no hydrogen 3.119 N/A TYR 537.A N LEU 533.A O no hydrogen 2.813 N/A TYR 537.A OH ASP 671.A OD1 no hydrogen 2.499 N/A TYR 537.A OH ASP 671.A OD2 no hydrogen 3.262 N/A THR 538.A N PRO 534.A O no hydrogen 3.166 N/A THR 538.A OG1 PRO 534.A O no hydrogen 2.722 N/A ALA 539.A N TYR 535.A O no hydrogen 3.112 N/A ALA 540.A N ILE 536.A O no hydrogen 2.857 N/A TYR 541.A N TYR 537.A O no hydrogen 2.913 N/A GLN 542.A N THR 538.A O no hydrogen 2.977 N/A GLN 542.A NE2 GLU 667.A OE2 no hydrogen 2.662 N/A ASN 543.A N ALA 539.A O no hydrogen 2.902 N/A THR 544.A N ALA 540.A O no hydrogen 2.949 N/A THR 544.A OG1 GLN 218.A O no hydrogen 2.710 N/A LEU 545.A N TYR 541.A O no hydrogen 2.932 N/A THR 546.A N GLN 542.A O no hydrogen 2.885 N/A THR 546.A OG1 GLN 542.A O no hydrogen 3.002 N/A GLY 547.A N ASN 543.A O no hydrogen 2.841 N/A MET 548.A N THR 546.A OG1 no hydrogen 3.159 N/A ARG 552.A N PHE 572.A O no hydrogen 2.757 N/A ARG 552.A NE PRO 549.A O no hydrogen 2.722 N/A ARG 552.A NE LEU 550.A O no hydrogen 3.260 N/A ARG 552.A NH1 ASP 575.A OD1 no hydrogen 2.776 N/A ARG 552.A NH2 PRO 549.A O no hydrogen 3.441 N/A PHE 556.A N PRO 553.A O no hydrogen 3.111 N/A SER 557.A N LEU 554.A O no hydrogen 2.882 N/A SER 557.A OG LEU 554.A O no hydrogen 2.695 N/A ASP 558.A N PHE 555.A O no hydrogen 3.385 N/A LYS 560.A N ASP 558.A OD1 no hydrogen 3.021 N/A ASN 561.A N ASP 558.A O no hydrogen 3.248 N/A LEU 564.A N ASN 561.A O no hydrogen 3.236 N/A ILE 565.A N PRO 562.A O no hydrogen 3.081 N/A ASP 566.A N ALA 563.A O no hydrogen 3.279 N/A ASN 567.A N LEU 564.A O no hydrogen 2.946 N/A THR 569.A N ASN 567.A OD1 no hydrogen 2.894 N/A THR 569.A OG1 ASN 567.A OD1 no hydrogen 3.498 N/A SER 570.A N ASN 567.A OD1 no hydrogen 2.955 N/A SER 570.A OG THR 580.A OG1 no hydrogen 2.611 N/A TYR 571.A N VAL 579.A O no hydrogen 2.961 N/A TYR 571.A OH PHE 495.A O no hydrogen 2.593 N/A PHE 572.A N ARG 552.A O no hydrogen 2.823 N/A TRP 573.A N LEU 577.A O no hydrogen 2.929 N/A GLY 574.A N LEU 550.A O no hydrogen 2.990 N/A SER 576.A N TYR 535.A OH no hydrogen 2.870 N/A LEU 578.A N LEU 627.A O no hydrogen 2.887 N/A VAL 579.A N TYR 571.A O no hydrogen 2.783 N/A THR 580.A N PRO 625.A O no hydrogen 2.969 N/A THR 580.A OG1 SER 570.A OG no hydrogen 2.611 N/A GLY 586.A N GLU 484.A OE2 no hydrogen 2.826 N/A VAL 590.A N LEU 617.A O no hydrogen 2.862 N/A ILE 592.A N LEU 615.A O no hydrogen 2.693 N/A GLY 597.A N THR 610.A O no hydrogen 2.879 N/A TRP 599.A N TYR 608.A O no hydrogen 2.791 N/A TRP 599.A NE1 PRO 595.A O no hydrogen 2.764 N/A PHE 600.A N VAL 628.A O no hydrogen 2.764 N/A ASP 601.A N THR 606.A O no hydrogen 2.855 N/A PHE 602.A N VAL 626.A O no hydrogen 2.947 N/A TRP 603.A N ASP 601.A OD1 no hydrogen 2.933 N/A TRP 603.A NE1 ILE 624.A O no hydrogen 2.718 N/A LYS 604.A N ASP 601.A OD1 no hydrogen 3.322 N/A ASP 605.A N ASP 601.A O no hydrogen 2.776 N/A ARG 607.A NE ASP 658.A OD1 no hydrogen 2.924 N/A ARG 607.A NH2 ASP 658.A OD1 no hydrogen 2.783 N/A TYR 608.A N TRP 599.A O no hydrogen 2.718 N/A GLN 609.A NE2.A ASP 611.A OD1 no hydrogen 2.790 N/A THR 610.A N GLY 597.A O no hydrogen 3.020 N/A THR 610.A OG1 ALA 613.A O no hydrogen 2.748 N/A GLY 612.A N THR 610.A OG1 no hydrogen 2.991 N/A LEU 615.A N ILE 592.A O no hydrogen 2.852 N/A LEU 617.A N VAL 590.A O no hydrogen 2.909 N/A THR 619.A N GLU 588.A O no hydrogen 3.077 N/A THR 619.A OG1 VAL 587.A O no hydrogen 2.518 N/A THR 623.A OG1 ASP 620.A OD1 no hydrogen 2.543 N/A THR 623.A OG1 ASP 620.A OD2 no hydrogen 3.390 N/A LEU 627.A N LEU 578.A O no hydrogen 2.939 N/A VAL 628.A N PHE 600.A O no hydrogen 2.675 N/A LYS 629.A N SER 576.A O no hydrogen 2.885 N/A ALA 630.A N VAL 598.A O no hydrogen 3.015 N/A GLY 631.A N TYR 656.A O no hydrogen 2.759 N/A ALA 632.A N LYS 629.A O no hydrogen 3.025 N/A MET 634.A N HIS 654.A O no hydrogen 2.784 N/A TYR 636.A N GLU 652.A O no hydrogen 2.687 N/A VAL 637.A N ARG 531.A O no hydrogen 3.050 N/A THR 642.A OG1 ASP 256.A OD2 no hydrogen 3.566 N/A THR 642.A OG1 GLY 297.A O no hydrogen 2.702 N/A THR 643.A N ASP 256.A OD1 no hydrogen 2.940 N/A THR 643.A N ASP 256.A OD2 no hydrogen 3.364 N/A THR 643.A OG1 ASP 256.A OD2 no hydrogen 2.638 N/A GLU 644.A N THR 642.A OG1 no hydrogen 3.231 N/A ASP 645.A N THR 642.A O no hydrogen 2.934 N/A TYR 646.A N THR 643.A O no hydrogen 3.041 N/A TYR 646.A OH GLU 670.A OE1 no hydrogen 2.437 N/A ARG 647.A NE ASP 649.A OD2 no hydrogen 2.946 N/A ARG 647.A NH1 GLY 711.A O no hydrogen 2.723 N/A ARG 647.A NH2 ASP 649.A OD1 no hydrogen 3.171 N/A ARG 647.A NH2 ASP 649.A OD2 no hydrogen 3.544 N/A ARG 647.A NH2 GLY 711.A O no hydrogen 2.956 N/A SER 648.A OG GLU 670.A OE2 no hydrogen 2.443 N/A LEU 651.A N ALA 717.A O no hydrogen 2.818 N/A GLU 652.A N TYR 636.A O no hydrogen 2.843 N/A ILE 653.A N THR 719.A O no hydrogen 2.783 N/A HIS 654.A N MET 634.A O no hydrogen 2.873 N/A HIS 654.A ND1 HIS 723.A NE2 no hydrogen 2.837 N/A HIS 654.A NE2 GLU 652.A OE2 no hydrogen 2.720 N/A TYR 655.A N VAL 721.A O no hydrogen 2.832 N/A TYR 656.A N ALA 632.A O no hydrogen 3.047 N/A ALA 657.A N HIS 723.A O no hydrogen 3.077 N/A SER 660.A N ASP 658.A OD2 no hydrogen 2.936 N/A SER 660.A OG ASP 658.A OD2 no hydrogen 2.613 N/A VAL 661.A N ASP 658.A O no hydrogen 2.757 N/A ALA 664.A N ALA 691.A O no hydrogen 2.933 N/A GLY 666.A N LEU 689.A O no hydrogen 2.859 N/A ILE 668.A N LEU 687.A O no hydrogen 2.807 N/A PHE 669.A N THR 538.A OG1 no hydrogen 2.867 N/A GLU 670.A N ASP 685.A O no hydrogen 2.934 N/A GLY 673.A N ASP 671.A OD1 no hydrogen 2.767 N/A LYS 674.A N ASP 672.A OD1 no hydrogen 2.876 N/A ASP 675.A N ASP 672.A OD1 no hydrogen 2.865 N/A ASN 677.A N ASP 675.A OD1 no hydrogen 2.842 N/A SER 678.A N ASP 675.A O no hydrogen 3.176 N/A SER 678.A OG ASP 671.A OD2 no hydrogen 2.673 N/A SER 678.A OG ASP 675.A O no hydrogen 3.369 N/A ARG 681.A N ASN 677.A O no hydrogen 3.017 N/A ASN 682.A N ILE 679.A O no hydrogen 3.172 N/A GLN 683.A N SER 678.A O no hydrogen 2.940 N/A ASP 685.A N GLU 670.A O no hydrogen 2.787 N/A LEU 686.A N THR 705.A O no hydrogen 2.950 N/A LEU 687.A N ILE 668.A O no hydrogen 2.894 N/A THR 688.A N ALA 703.A O no hydrogen 2.896 N/A THR 688.A OG1 ALA 703.A O no hydrogen 3.294 N/A LEU 689.A N GLY 666.A O no hydrogen 2.953 N/A GLN 690.A N GLN 701.A O no hydrogen 2.857 N/A ALA 691.A N ALA 664.A O no hydrogen 2.832 N/A THR 692.A N HIS 699.A O no hydrogen 2.832 N/A HIS 693.A N PRO 662.A O no hydrogen 2.901 N/A THR 694.A N GLN 697.A O no hydrogen 2.877 N/A THR 694.A OG1 GLN 697.A O no hydrogen 3.249 N/A GLN 697.A NE2 HIS 778.A ND1.B no hydrogen 3.510 N/A LEU 698.A N LEU 777.A O no hydrogen 2.981 N/A HIS 699.A N THR 692.A O no hydrogen 2.966 N/A PHE 700.A N LEU 775.A O no hydrogen 2.804 N/A GLN 701.A N GLN 690.A O no hydrogen 2.827 N/A LEU 702.A N LEU 773.A O no hydrogen 2.790 N/A ALA 703.A N THR 688.A O no hydrogen 3.061 N/A ARG 704.A NE ASP 685.A OD1 no hydrogen 2.884 N/A ARG 704.A NH1 GLU 714.A O no hydrogen 2.857 N/A ARG 704.A NH2 ASP 685.A OD2 no hydrogen 2.881 N/A ARG 704.A NH2 PRO 713.A O no hydrogen 2.944 N/A THR 705.A N LEU 686.A O no hydrogen 2.898 N/A LYS 707.A N ASN 682.A O no hydrogen 2.865 N/A GLY 708.A N PHE 684.A O no hydrogen 2.899 N/A MET 712.A N TYR 709.A O no hydrogen 3.118 N/A ARG 716.A N TRP 768.A O no hydrogen 2.953 N/A ARG 716.A NE SER 648.A O no hydrogen 3.169 N/A ARG 716.A NE SER 648.A OG no hydrogen 3.046 N/A ARG 716.A NH1 ASP 685.A OD2 no hydrogen 2.703 N/A ARG 716.A NH2 SER 648.A OG no hydrogen 3.323 N/A ARG 716.A NH2 GLU 670.A OE2 no hydrogen 3.444 N/A ARG 716.A NH2 ASP 685.A OD2 no hydrogen 2.854 N/A ALA 717.A N ASP 649.A O no hydrogen 2.955 N/A THR 718.A N PHE 766.A O no hydrogen 2.924 N/A THR 718.A OG1 ARG 716.A O no hydrogen 3.152 N/A THR 719.A N LEU 651.A O no hydrogen 2.960 N/A LEU 720.A N LEU 764.A O no hydrogen 2.828 N/A VAL 721.A N ILE 653.A O no hydrogen 2.755 N/A ILE 722.A N LEU 762.A O no hydrogen 2.887 N/A HIS 723.A N TYR 655.A O no hydrogen 2.750 N/A HIS 723.A ND1 ASP 605.A OD1 no hydrogen 2.550 N/A HIS 723.A ND1 ASP 605.A OD2 no hydrogen 3.183 N/A HIS 723.A NE2 HIS 654.A ND1 no hydrogen 2.837 N/A ASN 724.A ND2 ALA 657.A O no hydrogen 2.946 N/A ALA 725.A N ARG 760.A O no hydrogen 3.091 N/A GLN 728.A N.A SER 726.A OG no hydrogen 2.933 N/A GLN 728.A N.B SER 726.A OG no hydrogen 2.919 N/A GLN 730.A N HIS 778.A O.A no hydrogen 3.014 N/A GLN 730.A N HIS 778.A O.B no hydrogen 3.224 N/A HIS 731.A N HIS 778.A O.A no hydrogen 3.484 N/A HIS 731.A N HIS 778.A O.B no hydrogen 3.482 N/A HIS 731.A ND1 ASP 733.A OD1 no hydrogen 3.093 N/A LEU 732.A N ILE 739.A O no hydrogen 3.132 N/A ASP 733.A N ARG 776.A O no hydrogen 2.833 N/A ILE 734.A N LYS 737.A O no hydrogen 2.857 N/A ASN 735.A N ASN 774.A O no hydrogen 2.808 N/A LYS 737.A N ILE 734.A O no hydrogen 3.130 N/A THR 738.A OG1 ASP 733.A OD1 no hydrogen 3.352 N/A ILE 739.A N LEU 732.A O no hydrogen 2.723 N/A ALA 742.A N ALA 753.A O no hydrogen 2.907 N/A CYS 746.A SG ALA 744.A O no hydrogen 4.047 N/A SER 748.A N ASP 745.A O no hydrogen 3.158 N/A SER 748.A OG ASP 745.A O no hydrogen 3.375 N/A THR 749.A OG1 ASP 745.A O no hydrogen 2.802 N/A CYS 754.A N GLN 763.A O no hydrogen 2.926 N/A CYS 754.A SG ALA 744.A O no hydrogen 3.295 N/A TYR 755.A N ALA 742.A O no hydrogen 2.862 N/A TYR 755.A OH ALA 725.A O no hydrogen 3.276 N/A ASP 756.A N GLN 761.A O no hydrogen 2.789 N/A GLN 757.A NE2 GLU 758.A OE2 no hydrogen 3.044 N/A ARG 759.A N ASP 756.A OD1 no hydrogen 2.941 N/A ARG 759.A NH1 ASP 756.A OD2 no hydrogen 2.750 N/A ARG 760.A NE ASN 724.A OD1 no hydrogen 3.393 N/A ARG 760.A NH2 ASN 724.A OD1 no hydrogen 3.140 N/A GLN 761.A N ASP 756.A O no hydrogen 3.336 N/A GLN 761.A NE2 ASP 605.A OD2 no hydrogen 3.122 N/A LEU 762.A N ILE 722.A O no hydrogen 3.010 N/A GLN 763.A N CYS 754.A O no hydrogen 2.805 N/A LEU 764.A N LEU 720.A O no hydrogen 2.926 N/A VAL 765.A N LEU 752.A O no hydrogen 2.882 N/A PHE 766.A N THR 718.A O no hydrogen 2.962 N/A TRP 768.A N ARG 716.A O no hydrogen 2.746 N/A ARG 770.A NH1 GLU 714.A OE1 no hydrogen 3.370 N/A ARG 770.A NH1 GLU 714.A OE2 no hydrogen 3.454 N/A LEU 773.A N LEU 702.A O no hydrogen 2.953 N/A ASN 774.A N ASN 735.A OD1 no hydrogen 2.763 N/A LEU 775.A N PHE 700.A O no hydrogen 2.864 N/A ARG 776.A N ASP 733.A O no hydrogen 2.817 N/A LEU 777.A N LEU 698.A O no hydrogen 2.817 N/A HIS 778.A N.A HIS 731.A O no hydrogen 2.983 N/A HIS 778.A N.B HIS 731.A O no hydrogen 3.046 N/A LYS 779.A N ASN 696.A O no hydrogen 3.022 N/A LYS 779.A NZ ASP 695.A O no hydrogen 2.749 N/A LYS 779.A NZ GLN 728.A OE1.B no hydrogen 3.062 N/A