Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5dgq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A N GLN 21.A O no hydrogen 2.925 N/A GLN 2.A NE2 GLN 21.A OE1 no hydrogen 2.546 N/A LEU 4.A N ILE 19.A O no hydrogen 2.736 N/A THR 5.A OG1 ASN 6.A O no hydrogen 3.210 N/A ASN 6.A N TYR 10.A OH no hydrogen 3.038 N/A ASN 6.A ND2 ASP 486.A OD1 no hydrogen 2.891 N/A HIS 7.A N LEU 489.A O no hydrogen 2.858 N/A HIS 7.A NE2 ASP 495.A OD1 no hydrogen 2.821 N/A LEU 8.A N ASN 6.A OD1 no hydrogen 2.926 N/A GLY 9.A N ASN 6.A OD1 no hydrogen 3.038 N/A TYR 10.A N CYS 88.A O no hydrogen 2.799 N/A TYR 10.A OH GLN 17.A O no hydrogen 2.747 N/A ARG 12.A N ALA 90.A O no hydrogen 2.939 N/A LYS 16.A N THR 67.A OG1 no hydrogen 3.054 N/A LYS 16.A NZ ARG 12.A O no hydrogen 2.765 N/A LYS 16.A NZ GLY 14.A O no hydrogen 2.915 N/A LYS 16.A NZ THR 67.A O no hydrogen 3.454 N/A LYS 16.A NZ LEU 69.A O no hydrogen 2.725 N/A GLN 17.A NE2 PRO 416.A O no hydrogen 3.060 N/A ALA 18.A N ILE 64.A O no hydrogen 3.051 N/A ILE 19.A N LEU 4.A O no hydrogen 2.897 N/A LEU 20.A N TYR 62.A O no hydrogen 2.761 N/A GLN 21.A N GLN 2.A O no hydrogen 2.911 N/A ALA 22.A N ASP 60.A O no hydrogen 3.236 N/A ALA 31.A N LEU 45.A O no hydrogen 2.798 N/A ASP 32.A N ARG 78.A O no hydrogen 2.915 N/A ILE 33.A N MET 43.A O no hydrogen 2.998 N/A ILE 34.A N ARG 76.A O no hydrogen 2.857 N/A CYS 35.A N GLN 40.A O no hydrogen 2.925 N/A CYS 35.A SG GLN 37.A OE1 no hydrogen 2.775 N/A CYS 35.A SG SER 38.A OG no hydrogen 3.778 N/A CYS 36.A N ASP 74.A O no hydrogen 3.073 N/A CYS 36.A SG SER 86.A OG no hydrogen 3.445 N/A GLN 37.A N GLN 37.A OE1 no hydrogen 2.698 N/A GLY 39.A N CYS 35.A O no hydrogen 2.621 N/A GLN 40.A N SER 38.A OG no hydrogen 3.203 N/A SER 41.A OG ASP 32.A OD1 no hydrogen 2.535 N/A SER 41.A OG MET 43.A O no hydrogen 3.358 N/A ILE 42.A N ILE 33.A O no hydrogen 2.793 N/A GLN 44.A NE2 ASP 32.A OD1 no hydrogen 2.975 N/A LEU 45.A N ALA 31.A O no hydrogen 2.743 N/A GLN 48.A N SER 63.A O no hydrogen 2.851 N/A CYS 50.A N THR 61.A O no hydrogen 2.872 N/A CYS 50.A SG GLN 48.A O no hydrogen 3.656 N/A GLN 55.A N GLN 534.A O no hydrogen 2.840 N/A TRP 56.A N VAL 53.A O no hydrogen 2.772 N/A TYR 62.A N LEU 20.A O no hydrogen 2.826 N/A TYR 62.A OH GLN 23.A O no hydrogen 3.351 N/A SER 63.A N GLN 48.A O no hydrogen 2.796 N/A SER 63.A OG GLN 48.A O no hydrogen 3.431 N/A ILE 64.A N ALA 18.A O no hydrogen 3.013 N/A PHE 66.A N LYS 16.A O no hydrogen 2.883 N/A THR 67.A N ASP 65.A OD1 no hydrogen 2.934 N/A THR 67.A OG1 ASP 65.A OD1 no hydrogen 2.559 N/A LEU 69.A N PHE 66.A O no hydrogen 3.056 N/A GLY 73.A N VAL 89.A O no hydrogen 3.071 N/A TYR 75.A N PHE 87.A O no hydrogen 2.824 N/A TYR 75.A OH ILE 71.A O no hydrogen 2.629 N/A ARG 76.A N ILE 34.A O no hydrogen 2.907 N/A ILE 77.A N SER 84.A OG no hydrogen 2.952 N/A ARG 78.A N ASP 32.A O no hydrogen 2.782 N/A ARG 78.A NE GLU 83.A OE2 no hydrogen 2.893 N/A ARG 78.A NH2 GLU 83.A OE2 no hydrogen 2.959 N/A VAL 79.A N THR 82.A O no hydrogen 2.789 N/A THR 82.A N VAL 79.A O no hydrogen 2.866 N/A SER 84.A N ILE 77.A O no hydrogen 2.757 N/A SER 84.A OG ALA 85.A O no hydrogen 2.684 N/A PHE 87.A N TYR 75.A O no hydrogen 2.881 N/A CYS 88.A N LEU 8.A O no hydrogen 3.022 N/A CYS 88.A SG GLY 73.A O no hydrogen 4.019 N/A VAL 89.A N GLY 73.A O no hydrogen 2.812 N/A ALA 90.A N TYR 10.A O no hydrogen 3.188 N/A GLY 92.A N GLU 11.A OE2 no hydrogen 2.848 N/A LEU 93.A N GLU 11.A OE1 no hydrogen 3.008 N/A GLN 96.A N GLY 92.A O no hydrogen 2.819 N/A GLN 96.A NE2 ASN 97.A OD1 no hydrogen 2.925 N/A ASN 97.A N LEU 93.A O no hydrogen 2.994 N/A THR 98.A N LEU 94.A O no hydrogen 2.873 N/A THR 98.A OG1 LEU 94.A O no hydrogen 2.693 N/A THR 98.A OG1 TYR 564.A OH no hydrogen 2.785 N/A VAL 102.A N THR 98.A O no hydrogen 2.999 N/A LEU 103.A N PHE 99.A O no hydrogen 3.150 N/A HIS 104.A N SER 100.A O no hydrogen 3.013 N/A TYR 105.A N ASP 101.A O no hydrogen 2.844 N/A PHE 106.A N VAL 102.A O no hydrogen 3.084 N/A LYS 107.A N LEU 103.A O no hydrogen 2.942 N/A SER 108.A N HIS 104.A O no hydrogen 2.781 N/A SER 108.A OG TYR 105.A O no hydrogen 2.565 N/A GLN 109.A N PHE 106.A O no hydrogen 2.915 N/A GLN 109.A NE2 SER 108.A OG no hydrogen 3.228 N/A ARG 110.A N LYS 107.A O no hydrogen 3.345 N/A ARG 110.A NE GLU 193.A OE1 no hydrogen 2.969 N/A ARG 110.A NH2 GLU 192.A OE2 no hydrogen 2.800 N/A ARG 110.A NH2 GLU 193.A OE2 no hydrogen 2.954 N/A CYS 111.A N GLY 136.A O no hydrogen 2.820 N/A CYS 111.A SG ASP 119.A OD2 no hydrogen 3.399 N/A SER 112.A N TYR 138.A OH no hydrogen 3.059 N/A TYR 115.A N SER 112.A O no hydrogen 3.113 N/A TYR 115.A OH LYS 221.A O no hydrogen 2.616 N/A GLU 116.A N SER 112.A O no hydrogen 3.024 N/A CYS 117.A N GLY 113.A O no hydrogen 2.944 N/A ALA 118.A N ILE 114.A O no hydrogen 2.948 N/A ASP 119.A N TYR 115.A O no hydrogen 2.960 N/A LYS 120.A N GLU 116.A O no hydrogen 3.277 N/A LYS 120.A N CYS 117.A O no hydrogen 3.350 N/A LYS 121.A N ALA 118.A O no hydrogen 3.116 N/A VAL 122.A N VAL 131.A O no hydrogen 2.846 N/A LEU 124.A N GLU 129.A O no hydrogen 3.043 N/A PHE 125.A N VAL 228.A O no hydrogen 2.863 N/A THR 127.A N LEU 124.A O no hydrogen 3.042 N/A THR 127.A OG1 LEU 124.A O no hydrogen 2.854 N/A GLU 129.A N THR 127.A OG1 no hydrogen 2.979 N/A VAL 131.A N VAL 122.A O no hydrogen 2.899 N/A VAL 133.A N ASP 119.A O no hydrogen 2.722 N/A HIS 134.A N ASP 132.A OD1 no hydrogen 3.146 N/A HIS 134.A ND1 ASP 132.A OD1 no hydrogen 2.614 N/A TRP 137.A NE1 GLU 193.A OE1 no hydrogen 2.902 N/A TYR 138.A N GLN 109.A O no hydrogen 2.895 N/A ASP 139.A N SER 145.A O no hydrogen 2.980 N/A ALA 140.A N ASP 143.A O no hydrogen 3.157 N/A SER 141.A N GLN 556.A O no hydrogen 2.904 N/A SER 141.A OG ASN 517.A OD1 no hydrogen 2.674 N/A GLY 142.A N GLU 555.A OE2 no hydrogen 2.853 N/A ASP 143.A N ALA 140.A O no hydrogen 3.069 N/A SER 145.A N ASP 143.A OD1 no hydrogen 3.009 N/A SER 145.A OG ASP 143.A OD1 no hydrogen 2.970 N/A LYS 146.A N VAL 215.A O no hydrogen 2.896 N/A LYS 146.A NZ ASP 119.A OD2 no hydrogen 2.562 N/A LYS 146.A NZ VAL 133.A O no hydrogen 2.869 N/A LYS 146.A NZ GLY 135.A O no hydrogen 2.786 N/A TYR 147.A OH ASP 143.A OD2 no hydrogen 2.737 N/A PHE 148.A N MET 213.A O no hydrogen 2.846 N/A SER 149.A N MET 213.A O no hydrogen 3.461 N/A SER 149.A OG HIS 150.A O no hydrogen 3.337 N/A SER 149.A OG PRO 159.A O no hydrogen 2.622 N/A HIS 150.A ND1 GLN 161.A OE1 no hydrogen 2.820 N/A TYR 153.A OH THR 443.A O no hydrogen 2.560 N/A GLY 154.A N LEU 151.A O no hydrogen 2.974 N/A ASN 155.A N SER 152.A O no hydrogen 3.009 N/A TYR 156.A N GLY 154.A O no hydrogen 2.799 N/A ASN 158.A ND2 SER 149.A OG no hydrogen 2.934 N/A ASN 158.A ND2 SER 152.A OG no hydrogen 2.866 N/A GLN 160.A N GLU 371.A OE1 no hydrogen 2.679 N/A GLN 160.A NE2 ARG 247.A O no hydrogen 2.921 N/A GLN 160.A NE2 GLU 371.A OE2 no hydrogen 3.210 N/A GLN 161.A N PHE 148.A O no hydrogen 2.940 N/A GLN 161.A NE2 ASP 139.A OD1 no hydrogen 2.968 N/A THR 162.A N TYR 147.A O no hydrogen 3.004 N/A THR 162.A OG1 TYR 147.A O no hydrogen 2.885 N/A VAL 165.A N GLN 161.A O no hydrogen 3.094 N/A VAL 166.A N THR 162.A O no hydrogen 3.247 N/A TRP 167.A N PRO 163.A O no hydrogen 2.983 N/A TRP 167.A NE1 GLU 321.A OE2 no hydrogen 2.739 N/A ASN 168.A N MET 164.A O no hydrogen 2.911 N/A ASN 168.A ND2 ALA 562.A O no hydrogen 3.098 N/A MET 169.A N VAL 165.A O no hydrogen 2.925 N/A LEU 170.A N VAL 166.A O no hydrogen 2.879 N/A THR 171.A N TRP 167.A O no hydrogen 2.783 N/A THR 171.A OG1 TRP 167.A O no hydrogen 2.762 N/A ALA 172.A N ASN 168.A O no hydrogen 2.898 N/A TYR 173.A N MET 169.A O no hydrogen 2.842 N/A TYR 173.A OH SER 268.A OG no hydrogen 2.490 N/A GLU 174.A N LEU 170.A O no hydrogen 3.055 N/A VAL 175.A N THR 171.A O no hydrogen 3.091 N/A LEU 176.A N ALA 172.A O no hydrogen 2.909 N/A GLU 177.A N GLU 174.A O no hydrogen 3.191 N/A GLU 179.A N LEU 176.A O no hydrogen 2.850 N/A ILE 182.A N GLU 179.A O no hydrogen 3.184 N/A ARG 187.A N ALA 183.A O no hydrogen 3.324 N/A ARG 187.A NH1 ILE 182.A O no hydrogen 3.032 N/A ARG 187.A NH1 ASP 184.A OD1 no hydrogen 2.722 N/A ARG 187.A NH2 LEU 176.A O no hydrogen 3.107 N/A ARG 187.A NH2 GLU 179.A O no hydrogen 2.961 N/A ARG 187.A NH2 ILE 182.A O no hydrogen 3.433 N/A VAL 188.A N ASP 184.A O no hydrogen 2.845 N/A ARG 189.A N PHE 185.A O no hydrogen 2.988 N/A ARG 189.A NH1 SER 100.A OG no hydrogen 2.813 N/A ARG 189.A NH2 SER 100.A O no hydrogen 3.140 N/A LEU 190.A N THR 186.A O no hydrogen 2.790 N/A VAL 191.A N ARG 187.A O no hydrogen 2.822 N/A GLU 192.A N VAL 188.A O no hydrogen 2.975 N/A GLU 193.A N ARG 189.A O no hydrogen 3.153 N/A ALA 194.A N LEU 190.A O no hydrogen 2.878 N/A LEU 195.A N VAL 191.A O no hydrogen 2.922 N/A TYR 196.A N GLU 192.A O no hydrogen 2.815 N/A TYR 196.A OH GLY 136.A O no hydrogen 2.654 N/A GLY 197.A N GLU 193.A O no hydrogen 3.047 N/A ALA 198.A N ALA 194.A O no hydrogen 2.778 N/A ASP 199.A N LEU 195.A O no hydrogen 2.822 N/A PHE 200.A N TYR 196.A O no hydrogen 3.231 N/A LEU 201.A N GLY 197.A O no hydrogen 2.903 N/A LEU 202.A N ALA 198.A O no hydrogen 2.979 N/A ARG 203.A N ASP 199.A O no hydrogen 3.100 N/A ARG 203.A NH1 HIS 134.A O no hydrogen 2.967 N/A MET 204.A N PHE 200.A O no hydrogen 2.971 N/A MET 204.A N LEU 201.A O no hydrogen 3.121 N/A GLN 205.A N LEU 202.A O no hydrogen 3.134 N/A GLN 205.A NE2 GLY 209.A O no hydrogen 3.118 N/A GLN 205.A NE2 ALA 286.A O no hydrogen 3.073 N/A HIS 206.A N TYR 210.A O no hydrogen 2.720 N/A GLN 208.A N HIS 206.A ND1 no hydrogen 3.040 N/A GLY 209.A N HIS 206.A O no hydrogen 2.750 N/A TYR 212.A N MET 204.A O no hydrogen 2.940 N/A MET 213.A N TYR 242.A O no hydrogen 2.795 N/A THR 214.A OG1 CYS 229.A O no hydrogen 3.084 N/A VAL 215.A N LYS 146.A O no hydrogen 2.729 N/A PHE 216.A N GLU 227.A O no hydrogen 2.854 N/A ASP 217.A N SER 145.A OG no hydrogen 3.075 N/A LYS 218.A NZ GLY 236.A O no hydrogen 2.947 N/A TRP 219.A N ASP 217.A OD1 no hydrogen 2.725 N/A SER 220.A N ASP 217.A O no hydrogen 3.090 N/A SER 220.A OG ASP 217.A O no hydrogen 2.800 N/A LYS 221.A N ASP 217.A OD2 no hydrogen 2.881 N/A LYS 221.A NZ GLY 142.A O no hydrogen 2.752 N/A LYS 221.A NZ TRP 219.A O no hydrogen 2.851 N/A SER 222.A N SER 220.A OG no hydrogen 3.158 N/A SER 222.A OG GLU 224.A OE1 no hydrogen 3.196 N/A GLN 225.A N SER 222.A OG no hydrogen 3.341 N/A ARG 226.A N THR 223.A O no hydrogen 3.226 N/A ARG 226.A NE ASP 119.A OD1 no hydrogen 2.846 N/A ARG 226.A NH1 VAL 144.A O no hydrogen 2.967 N/A ARG 226.A NH2 ASP 119.A OD1 no hydrogen 3.488 N/A ARG 226.A NH2 ASP 119.A OD2 no hydrogen 2.886 N/A ARG 226.A NH2 VAL 144.A O no hydrogen 3.113 N/A GLU 227.A N PHE 216.A O no hydrogen 3.024 N/A VAL 228.A N PRO 123.A O no hydrogen 2.945 N/A CYS 229.A N THR 214.A O no hydrogen 3.183 N/A CYS 229.A SG GLU 227.A O no hydrogen 3.565 N/A CYS 229.A SG ALA 230.A O no hydrogen 3.513 N/A ALA 230.A N SER 239.A O no hydrogen 2.949 N/A SER 232.A N HIS 237.A O no hydrogen 2.999 N/A THR 233.A OG1 SER 232.A O no hydrogen 2.741 N/A THR 233.A OG1 HIS 237.A ND1 no hydrogen 3.359 N/A GLN 234.A NE2 LEU 548.A O no hydrogen 2.789 N/A ASP 235.A N THR 233.A OG1 no hydrogen 3.122 N/A GLY 236.A N THR 233.A O no hydrogen 3.149 N/A HIS 237.A N SER 232.A O no hydrogen 3.014 N/A LYS 238.A NZ GLN 225.A O no hydrogen 2.941 N/A LYS 238.A NZ GLU 227.A OE2 no hydrogen 2.764 N/A SER 239.A N ALA 230.A O no hydrogen 2.734 N/A GLN 243.A N GLN 243.A OE1 no hydrogen 2.755 N/A ALA 244.A N PHE 211.A O no hydrogen 2.857 N/A GLY 245.A N GLN 248.A OE1 no hydrogen 2.850 N/A PHE 246.A N ASN 298.A OD1 no hydrogen 2.812 N/A ARG 247.A N ASP 311.A OD1 no hydrogen 3.123 N/A ARG 247.A NH1 LYS 306.A O no hydrogen 2.898 N/A ARG 247.A NH1 ASP 311.A OD2 no hydrogen 2.785 N/A ARG 247.A NH2 ASN 155.A OD1 no hydrogen 2.782 N/A ARG 247.A NH2 ASN 304.A OD1 no hydrogen 2.884 N/A ARG 247.A NH2 LYS 306.A O no hydrogen 3.489 N/A GLN 248.A N GLY 245.A O no hydrogen 2.914 N/A GLN 248.A NE2 TYR 301.A O no hydrogen 3.135 N/A GLY 251.A N PHE 246.A O no hydrogen 3.167 N/A ALA 253.A N GLY 249.A O no hydrogen 2.994 N/A ILE 254.A N ALA 250.A O no hydrogen 2.860 N/A ALA 255.A N GLY 251.A O no hydrogen 2.931 N/A ALA 256.A N VAL 252.A O no hydrogen 2.758 N/A LEU 257.A N ALA 253.A O no hydrogen 3.032 N/A ALA 258.A N ILE 254.A O no hydrogen 2.910 N/A ALA 259.A N ALA 255.A O no hydrogen 2.927 N/A ALA 260.A N ALA 256.A O no hydrogen 2.814 N/A SER 261.A N LEU 257.A O no hydrogen 3.077 N/A SER 261.A OG ALA 258.A O no hydrogen 2.654 N/A ARG 262.A N ALA 259.A O no hydrogen 3.021 N/A ARG 262.A NH1 GLU 321.A OE1 no hydrogen 2.735 N/A ARG 262.A NH2 GLU 321.A OE1 no hydrogen 2.828 N/A ARG 262.A NH2 SER 325.A OG no hydrogen 2.952 N/A LEU 263.A N ALA 260.A O no hydrogen 3.169 N/A ASN 265.A N ARG 262.A O no hydrogen 2.951 N/A LEU 266.A N LEU 263.A O no hydrogen 3.023 N/A SER 268.A N GLU 177.A OE2 no hydrogen 2.778 N/A SER 268.A OG TYR 173.A OH no hydrogen 2.490 N/A SER 268.A OG GLU 177.A OE1 no hydrogen 2.674 N/A SER 268.A OG GLU 177.A OE2 no hydrogen 3.393 N/A THR 269.A N LEU 266.A O no hydrogen 3.107 N/A THR 269.A OG1 LEU 263.A O no hydrogen 2.644 N/A THR 269.A OG1 LEU 266.A O no hydrogen 3.546 N/A SER 270.A N ALA 267.A O no hydrogen 3.219 N/A ARG 271.A N ALA 267.A O no hydrogen 3.175 N/A ARG 271.A N SER 268.A O no hydrogen 3.014 N/A ARG 271.A NE ASP 184.A OD2 no hydrogen 2.693 N/A ARG 271.A NH2 ASP 184.A OD1 no hydrogen 2.788 N/A ARG 271.A NH2 ASP 184.A OD2 no hydrogen 3.543 N/A ILE 272.A N SER 268.A O no hydrogen 3.015 N/A GLN 274.A NE2 THR 269.A O no hydrogen 2.854 N/A GLN 274.A NE2 ILE 272.A O no hydrogen 2.837 N/A LYS 279.A NZ ASP 199.A OD1 no hydrogen 2.803 N/A ALA 280.A N ILE 278.A O no hydrogen 2.990 N/A TYR 283.A N LYS 279.A O no hydrogen 3.027 N/A TYR 283.A OH ASP 199.A OD1 no hydrogen 2.653 N/A LEU 284.A N ALA 280.A O no hydrogen 3.003 N/A GLU 285.A N ASP 281.A O no hydrogen 2.886 N/A ALA 286.A N THR 282.A O no hydrogen 3.122 N/A ALA 287.A N TYR 283.A O no hydrogen 2.986 N/A LYS 288.A N LEU 284.A O no hydrogen 2.973 N/A LYS 288.A NZ GLU 285.A OE2 no hydrogen 2.970 N/A LYS 289.A N GLU 285.A O no hydrogen 2.900 N/A LYS 289.A NZ PRO 207.A O no hydrogen 2.561 N/A GLY 290.A N ALA 286.A O no hydrogen 2.914 N/A TYR 291.A N ALA 287.A O no hydrogen 2.901 N/A TYR 291.A OH GLU 334.A OE1 no hydrogen 2.534 N/A TRP 292.A N LYS 288.A O no hydrogen 3.002 N/A HIS 293.A N LYS 289.A O no hydrogen 3.028 N/A HIS 293.A NE2 TYR 301.A OH no hydrogen 2.773 N/A LEU 294.A N GLY 290.A O no hydrogen 3.124 N/A LYS 295.A N TYR 291.A O no hydrogen 2.875 N/A LYS 295.A NZ GLU 334.A OE1 no hydrogen 2.663 N/A LYS 295.A NZ GLU 334.A OE2 no hydrogen 3.524 N/A GLU 296.A N TRP 292.A O no hydrogen 3.290 N/A MET 297.A N HIS 293.A O no hydrogen 2.841 N/A ASN 298.A N LEU 294.A O no hydrogen 2.786 N/A ASN 298.A ND2 GLU 307.A OE2 no hydrogen 2.762 N/A ASN 298.A ND2 ASP 311.A OD1 no hydrogen 3.187 N/A GLN 300.A N MET 297.A O no hydrogen 2.848 N/A TYR 301.A N ASN 298.A O no hydrogen 2.858 N/A TYR 301.A OH HIS 293.A NE2 no hydrogen 2.773 N/A LEU 302.A N HIS 299.A O no hydrogen 3.352 N/A GLY 305.A N LEU 302.A O no hydrogen 2.817 N/A LYS 306.A N ASN 304.A OD1 no hydrogen 3.082 N/A LYS 306.A NZ ASP 360.A OD2 no hydrogen 2.631 N/A ASN 308.A N ASP 311.A OD2 no hydrogen 2.905 N/A ASN 308.A ND2 ASN 155.A O no hydrogen 2.923 N/A ILE 309.A N ALA 358.A O no hydrogen 3.424 N/A ILE 310.A N ASN 308.A OD1 no hydrogen 2.871 N/A GLU 312.A N ASN 308.A O no hydrogen 3.307 N/A TYR 313.A N ILE 309.A O no hydrogen 2.953 N/A TYR 313.A OH TYR 366.A OH no hydrogen 2.846 N/A TYR 313.A OH GLU 371.A OE2 no hydrogen 2.625 N/A CYS 314.A N ILE 310.A O no hydrogen 3.113 N/A CYS 314.A SG ILE 310.A O no hydrogen 3.327 N/A ALA 315.A N ASP 311.A O no hydrogen 2.756 N/A LEU 316.A N GLU 312.A O no hydrogen 2.732 N/A LEU 317.A N TYR 313.A O no hydrogen 3.095 N/A ALA 318.A N CYS 314.A O no hydrogen 3.021 N/A SER 319.A N ALA 315.A O no hydrogen 2.957 N/A SER 319.A OG ALA 315.A O no hydrogen 2.831 N/A SER 319.A OG LEU 316.A O no hydrogen 3.307 N/A VAL 320.A N LEU 316.A O no hydrogen 2.955 N/A GLU 321.A N LEU 317.A O no hydrogen 2.967 N/A LEU 322.A N ALA 318.A O no hydrogen 2.940 N/A TYR 323.A N SER 319.A O no hydrogen 2.863 N/A ARG 324.A N VAL 320.A O no hydrogen 2.939 N/A ARG 324.A NH2 GLU 174.A OE1 no hydrogen 3.045 N/A ARG 324.A NH2 GLU 174.A OE2 no hydrogen 2.997 N/A SER 325.A N GLU 321.A O no hydrogen 2.931 N/A SER 325.A OG ALA 258.A O no hydrogen 2.622 N/A SER 325.A OG GLU 321.A O no hydrogen 3.145 N/A THR 326.A N TYR 323.A O no hydrogen 3.163 N/A THR 326.A OG1 LEU 322.A O no hydrogen 2.781 N/A GLN 327.A N TYR 323.A O no hydrogen 2.634 N/A GLN 327.A NE2 ARG 324.A O no hydrogen 3.069 N/A GLU 328.A N THR 326.A OG1 no hydrogen 3.018 N/A PHE 331.A N GLU 328.A O no hydrogen 3.005 N/A ALA 333.A N ASN 329.A O no hydrogen 2.893 N/A GLU 334.A N ASN 330.A O no hydrogen 3.027 N/A ALA 335.A N PHE 331.A O no hydrogen 2.848 N/A ARG 336.A N LEU 332.A O no hydrogen 2.902 N/A ARG 336.A NE GLU 386.A OE1 no hydrogen 2.854 N/A ARG 336.A NH2 GLU 386.A OE2 no hydrogen 2.932 N/A MET 337.A N ALA 333.A O no hydrogen 3.029 N/A TRP 338.A N GLU 334.A O no hydrogen 2.994 N/A TRP 338.A NE1 TYR 291.A OH no hydrogen 3.044 N/A ALA 339.A N ALA 335.A O no hydrogen 2.843 N/A ASP 340.A N ARG 336.A O no hydrogen 3.075 N/A LYS 341.A N MET 337.A O no hydrogen 3.066 N/A LEU 342.A N TRP 338.A O no hydrogen 2.902 N/A MET 343.A N ALA 339.A O no hydrogen 2.695 N/A ALA 344.A N ASP 340.A O no hydrogen 3.098 N/A ARG 345.A N LEU 342.A O no hydrogen 2.853 N/A ARG 345.A NE GLU 312.A OE1 no hydrogen 2.626 N/A ARG 345.A NE GLU 312.A OE2 no hydrogen 3.412 N/A ARG 345.A NH1 ASP 360.A OD1 no hydrogen 2.822 N/A ARG 345.A NH2 GLU 312.A OE1 no hydrogen 3.537 N/A ARG 345.A NH2 GLU 312.A OE2 no hydrogen 2.781 N/A ARG 345.A NH2 ASP 360.A OD1 no hydrogen 3.408 N/A GLN 346.A N MET 343.A O no hydrogen 2.910 N/A GLN 346.A NE2 VAL 398.A O no hydrogen 2.954 N/A MET 347.A N TYR 355.A O no hydrogen 3.109 N/A ASP 349.A N PHE 352.A O no hydrogen 3.034 N/A ASN 351.A N ASP 349.A OD1 no hydrogen 2.910 N/A ASN 351.A ND2 TYR 423.A OH no hydrogen 2.741 N/A PHE 352.A N ASP 349.A OD1 no hydrogen 2.898 N/A HIS 354.A N SER 348.A OG no hydrogen 3.084 N/A TYR 355.A OH GLY 362.A O no hydrogen 2.736 N/A ALA 357.A N ARG 345.A O no hydrogen 2.913 N/A ALA 358.A N ARG 364.A O no hydrogen 2.797 N/A ASN 359.A ND2 SER 363.A OG no hydrogen 3.051 N/A SER 363.A N ASP 361.A OD1 no hydrogen 3.100 N/A SER 363.A OG ASP 361.A OD1 no hydrogen 2.782 N/A ARG 364.A N ASN 359.A OD1 no hydrogen 3.124 N/A ARG 364.A NE GLU 442.A OE2 no hydrogen 2.640 N/A ARG 364.A NH2 GLU 442.A OE1 no hydrogen 2.975 N/A TYR 366.A N TRP 356.A O no hydrogen 2.718 N/A TYR 366.A OH TYR 313.A OH no hydrogen 2.846 N/A TYR 366.A OH GLU 371.A O no hydrogen 3.289 N/A HIS 368.A NE2 ASN 158.A O no hydrogen 2.801 N/A ALA 370.A N HIS 368.A ND1 no hydrogen 3.087 N/A GLY 373.A N SER 456.A OG no hydrogen 2.945 N/A LEU 374.A N GLU 371.A O no hydrogen 2.832 N/A ILE 377.A N GLY 373.A O no hydrogen 2.934 N/A ALA 378.A N LEU 374.A O no hydrogen 2.783 N/A LEU 379.A N PRO 375.A O no hydrogen 3.158 N/A MET 380.A N ALA 376.A O no hydrogen 2.867 N/A GLN 381.A N ILE 377.A O no hydrogen 2.830 N/A TYR 382.A N ALA 378.A O no hydrogen 3.026 N/A TYR 382.A OH GLU 386.A OE1 no hydrogen 2.508 N/A LEU 383.A N LEU 379.A O no hydrogen 2.912 N/A GLN 384.A N MET 380.A O no hydrogen 3.246 N/A GLN 384.A N GLN 381.A O no hydrogen 3.155 N/A ILE 385.A N TYR 382.A O no hydrogen 2.945 N/A HIS 388.A N GLU 386.A OE2 no hydrogen 2.967 N/A ARG 391.A N HIS 388.A ND1 no hydrogen 3.143 N/A ARG 391.A NH1 ASP 340.A OD2 no hydrogen 3.224 N/A ALA 392.A N HIS 388.A O no hydrogen 2.979 N/A GLU 393.A N ALA 389.A O no hydrogen 3.086 N/A GLN 394.A N GLN 390.A O no hydrogen 3.085 N/A CYS 395.A N ARG 391.A O no hydrogen 2.914 N/A GLN 396.A N ALA 392.A O no hydrogen 2.694 N/A GLN 396.A NE2 THR 467.A O no hydrogen 2.956 N/A SER 397.A N GLU 393.A O no hydrogen 2.955 N/A SER 397.A OG GLU 393.A O no hydrogen 3.132 N/A VAL 398.A N GLN 394.A O no hydrogen 3.234 N/A LEU 399.A N CYS 395.A O no hydrogen 2.867 N/A LEU 400.A N GLN 396.A O no hydrogen 2.941 N/A ASN 401.A N SER 397.A O no hydrogen 3.014 N/A ASN 401.A ND2 GLN 346.A OE1 no hydrogen 3.269 N/A ALA 402.A N VAL 398.A O no hydrogen 2.876 N/A LEU 403.A N LEU 399.A O no hydrogen 2.904 N/A ASN 404.A N LEU 400.A O no hydrogen 2.909 N/A PHE 405.A N ASN 401.A O no hydrogen 2.975 N/A GLU 406.A N ALA 402.A O no hydrogen 3.164 N/A LEU 407.A N LEU 403.A O no hydrogen 3.090 N/A SER 408.A N ASN 404.A O no hydrogen 2.774 N/A SER 408.A OG ASN 404.A O no hydrogen 2.501 N/A ILE 409.A N PHE 405.A O no hydrogen 2.929 N/A THR 410.A N GLU 406.A O no hydrogen 3.128 N/A THR 410.A OG1 GLU 406.A O no hydrogen 2.780 N/A HIS 411.A N LEU 407.A O no hydrogen 3.089 N/A HIS 411.A N SER 408.A O no hydrogen 3.183 N/A GLU 412.A N ILE 409.A O no hydrogen 3.400 N/A ASN 414.A ND2 PRO 52.A O no hydrogen 3.036 N/A ASN 415.A ND2 THR 410.A O no hydrogen 2.973 N/A ASN 415.A ND2 TYR 419.A O no hydrogen 2.785 N/A GLY 418.A N ASN 415.A O no hydrogen 2.918 N/A TYR 419.A N ASN 415.A OD1 no hydrogen 2.938 N/A TYR 419.A OH GLU 450.A OE1 no hydrogen 2.691 N/A ARG 421.A N THR 410.A OG1 no hydrogen 3.068 N/A ARG 421.A NH1 SER 433.A OG no hydrogen 2.877 N/A ARG 421.A NH2 ILE 409.A O no hydrogen 2.813 N/A ARG 421.A NH2 GLU 412.A OE1 no hydrogen 2.866 N/A GLN 422.A N ALA 434.A O no hydrogen 2.994 N/A GLN 422.A NE2 PHE 435.A O no hydrogen 2.934 N/A GLN 422.A NE2 GLU 450.A OE2 no hydrogen 3.371 N/A TYR 423.A OH ASP 349.A OD1 no hydrogen 3.397 N/A TYR 423.A OH ASP 349.A OD2 no hydrogen 2.632 N/A THR 424.A N GLN 432.A O no hydrogen 2.908 N/A THR 424.A OG1 GLN 432.A O no hydrogen 3.546 N/A LYS 425.A NZ ALA 426.A O no hydrogen 2.955 N/A LYS 425.A NZ GLY 429.A O no hydrogen 2.635 N/A VAL 427.A N ASP 440.A O no hydrogen 2.937 N/A GLY 429.A N ALA 426.A O no hydrogen 3.190 N/A LYS 431.A NZ ASP 349.A OD2 no hydrogen 2.734 N/A LYS 431.A NZ GLY 362.A O no hydrogen 2.844 N/A GLN 432.A N THR 424.A O no hydrogen 2.918 N/A SER 433.A OG GLU 412.A OE1 no hydrogen 2.739 N/A ALA 434.A N GLN 422.A O no hydrogen 2.837 N/A MET 437.A N GLU 450.A OE2 no hydrogen 2.734 N/A HIS 439.A N GLU 533.A OE1 no hydrogen 2.965 N/A ASN 441.A ND2 PRO 438.A O no hydrogen 3.042 N/A ASN 441.A ND2 TRP 446.A O no hydrogen 2.798 N/A GLU 442.A N GLU 442.A OE1 no hydrogen 2.677 N/A THR 443.A N ASN 441.A OD1 no hydrogen 3.001 N/A THR 443.A OG1 ASN 441.A OD1 no hydrogen 2.520 N/A GLY 444.A N ASN 441.A O no hydrogen 3.054 N/A TYR 445.A N THR 443.A OG1 no hydrogen 3.232 N/A TRP 446.A N THR 443.A OG1 no hydrogen 2.871 N/A GLY 449.A N ARG 552.A O no hydrogen 3.080 N/A ASN 451.A N ASN 524.A O no hydrogen 3.011 N/A ASN 451.A ND2 CYS 523.A O no hydrogen 2.777 N/A ALA 452.A N HIS 560.A ND1 no hydrogen 2.833 N/A ARG 453.A NH1 PRO 420.A O no hydrogen 2.850 N/A ARG 453.A NH2 PRO 420.A O no hydrogen 2.950 N/A ARG 453.A NH2 GLU 450.A OE1 no hydrogen 2.908 N/A ILE 454.A N GLU 450.A O no hydrogen 2.859 N/A ALA 455.A N ASN 451.A O no hydrogen 2.753 N/A SER 456.A N ALA 452.A O no hydrogen 2.810 N/A SER 456.A OG ARG 453.A O no hydrogen 2.817 N/A LEU 457.A N ARG 453.A O no hydrogen 3.000 N/A ILE 458.A N ILE 454.A O no hydrogen 2.957 N/A THR 459.A N ALA 455.A O no hydrogen 2.897 N/A THR 459.A OG1 ALA 455.A O no hydrogen 2.897 N/A MET 460.A N SER 456.A O no hydrogen 2.968 N/A ALA 461.A N LEU 457.A O no hydrogen 3.001 N/A TYR 462.A N ILE 458.A O no hydrogen 3.061 N/A MET 463.A N THR 459.A O no hydrogen 2.865 N/A ALA 464.A N MET 460.A O no hydrogen 3.028 N/A GLN 465.A N TYR 462.A O no hydrogen 3.200 N/A GLN 465.A NE2 ALA 461.A O no hydrogen 3.161 N/A GLN 465.A NE2 LYS 474.A O no hydrogen 2.985 N/A ASN 466.A N MET 463.A O no hydrogen 3.333 N/A THR 467.A N ALA 464.A O no hydrogen 2.969 N/A THR 467.A OG1 MET 463.A O no hydrogen 3.064 N/A ILE 468.A N ALA 464.A O no hydrogen 2.939 N/A ILE 473.A N ASP 470.A OD1 no hydrogen 3.058 N/A LYS 474.A N ASP 470.A O no hydrogen 2.858 N/A LYS 474.A NZ GLN 465.A O no hydrogen 2.987 N/A SER 475.A N ASN 471.A O no hydrogen 2.890 N/A GLN 476.A N GLU 472.A O no hydrogen 3.014 N/A LEU 477.A N ILE 473.A O no hydrogen 2.814 N/A MET 478.A N LYS 474.A O no hydrogen 2.985 N/A ILE 479.A N SER 475.A O no hydrogen 3.223 N/A TYR 480.A N GLN 476.A O no hydrogen 2.949 N/A ALA 481.A N LEU 477.A O no hydrogen 2.787 N/A HIS 482.A N MET 478.A O no hydrogen 2.955 N/A HIS 482.A ND1 ALA 15.A O no hydrogen 2.837 N/A ARG 483.A N ILE 479.A O no hydrogen 3.097 N/A LEU 484.A N TYR 480.A O no hydrogen 2.968 N/A THR 485.A N ALA 481.A O no hydrogen 3.073 N/A THR 485.A OG1 ALA 481.A O no hydrogen 2.730 N/A ASP 486.A N HIS 482.A O no hydrogen 2.865 N/A TRP 487.A N ARG 483.A O no hydrogen 2.884 N/A ILE 488.A N LEU 484.A O no hydrogen 3.302 N/A LEU 489.A N THR 485.A O no hydrogen 3.165 N/A GLY 490.A N TRP 487.A O no hydrogen 3.355 N/A LEU 491.A N ASP 486.A O no hydrogen 2.841 N/A ASN 492.A ND2 TRP 487.A O no hydrogen 2.925 N/A ASN 492.A ND2 MET 496.A O no hydrogen 2.787 N/A PHE 494.A N ASN 492.A OD1 no hydrogen 2.940 N/A ASP 495.A N ASN 492.A O no hydrogen 3.026 N/A MET 496.A N ASN 492.A OD1 no hydrogen 3.456 N/A CYS 497.A N ARG 504.A O no hydrogen 3.103 N/A CYS 497.A SG LEU 499.A O no hydrogen 3.804 N/A CYS 497.A SG HIS 502.A O no hydrogen 3.320 N/A MET 498.A N ILE 488.A O no hydrogen 3.017 N/A ASP 500.A N GLY 521.A O no hydrogen 2.894 N/A GLY 501.A N ASN 506.A OD1 no hydrogen 2.714 N/A HIS 502.A N LEU 499.A O no hydrogen 3.215 N/A HIS 502.A NE2 ASP 101.A OD2 no hydrogen 2.573 N/A ARG 504.A N HIS 7.A ND1 no hydrogen 2.917 N/A ASN 505.A ND2 ASP 495.A O no hydrogen 2.765 N/A ASN 506.A ND2 CYS 497.A O no hydrogen 2.977 N/A ASN 506.A ND2 HIS 502.A O no hydrogen 2.782 N/A TYR 509.A N ASP 508.A OD1 no hydrogen 2.705 N/A LEU 510.A N PHE 515.A O no hydrogen 3.008 N/A GLU 512.A N GLU 512.A OE1 no hydrogen 2.730 N/A LEU 513.A N LEU 510.A O no hydrogen 2.865 N/A GLY 514.A N PRO 511.A O no hydrogen 2.875 N/A PHE 515.A N LEU 510.A O no hydrogen 2.889 N/A ASN 517.A N ASP 508.A OD1 no hydrogen 2.783 N/A ASN 517.A ND2 PRO 507.A O no hydrogen 3.057 N/A ASN 517.A ND2 GLY 554.A O no hydrogen 2.767 N/A ALA 518.A N GLN 556.A OE1 no hydrogen 2.747 N/A LYS 519.A NZ ASP 500.A OD2 no hydrogen 2.805 N/A GLY 520.A N ASP 500.A O no hydrogen 2.915 N/A GLY 521.A N ALA 518.A O no hydrogen 3.125 N/A CYS 523.A N MET 498.A O no hydrogen 3.322 N/A CYS 523.A SG TRP 553.A O no hydrogen 3.997 N/A ASN 524.A N GLU 555.A O no hydrogen 2.866 N/A ASN 524.A ND2 TRP 551.A O no hydrogen 2.685 N/A GLY 525.A N TRP 553.A O no hydrogen 3.032 N/A THR 527.A N ALA 537.A O no hydrogen 3.112 N/A THR 527.A OG1 SER 528.A O no hydrogen 2.666 N/A SER 528.A OG HIS 439.A NE2 no hydrogen 2.774 N/A ASN 532.A ND2 GLN 55.A OE1 no hydrogen 2.716 N/A GLN 534.A N ASN 532.A OD1 no hydrogen 2.768 N/A GLY 535.A N ASN 532.A O no hydrogen 2.957 N/A ALA 537.A N THR 527.A O no hydrogen 2.920 N/A LYS 539.A NZ ASP 508.A O no hydrogen 2.704 N/A GLN 543.A N PRO 540.A O no hydrogen 3.011 N/A GLN 543.A NE2 GLU 531.A OE2 no hydrogen 2.887 N/A ASP 546.A N GLN 543.A O no hydrogen 3.015 N/A LEU 548.A N ASP 546.A OD1 no hydrogen 2.978 N/A GLN 549.A N ASP 546.A O no hydrogen 3.001 N/A ASN 550.A N ASP 546.A O no hydrogen 2.746 N/A ASN 550.A ND2 LYS 544.A O no hydrogen 3.030 N/A TRP 551.A NE1 LEU 548.A O no hydrogen 2.881 N/A ARG 552.A N GLN 549.A O no hydrogen 3.120 N/A ARG 552.A NE GLN 549.A OE1 no hydrogen 3.009 N/A ARG 552.A NH1 TYR 445.A O no hydrogen 2.792 N/A ARG 552.A NH1 TRP 447.A O no hydrogen 2.916 N/A ARG 552.A NH2 TYR 445.A O no hydrogen 2.983 N/A ARG 552.A NH2 GLN 549.A OE1 no hydrogen 3.043 N/A TRP 553.A N ASN 550.A O no hydrogen 3.340 N/A TRP 553.A NE1 THR 527.A OG1 no hydrogen 2.935 N/A GLN 556.A N SER 141.A OG no hydrogen 3.012 N/A GLN 556.A NE2 ALA 518.A O no hydrogen 2.982 N/A TRP 557.A NE1 ASP 139.A OD2 no hydrogen 2.704 N/A ILE 558.A N ASP 139.A O no hydrogen 2.984 N/A HIS 560.A N TRP 557.A O no hydrogen 2.928 N/A HIS 560.A NE2 ASN 524.A OD1 no hydrogen 2.695 N/A ALA 562.A N ILE 558.A O no hydrogen 3.042 N/A TRP 563.A N PRO 559.A O no hydrogen 2.879 N/A TYR 564.A N HIS 560.A O no hydrogen 2.924 N/A TYR 564.A OH THR 98.A OG1 no hydrogen 2.785 N/A LEU 565.A N GLY 561.A O no hydrogen 2.781 N/A LEU 566.A N ALA 562.A O no hydrogen 3.098 N/A ALA 567.A N TRP 563.A O no hydrogen 2.903 N/A ILE 568.A N TYR 564.A O no hydrogen 2.965 N/A THR 569.A N LEU 565.A O no hydrogen 3.243 N/A THR 569.A N LEU 566.A O no hydrogen 3.069 N/A THR 569.A OG1 LEU 565.A O no hydrogen 2.864 N/A MET 570.A N LEU 566.A O no hydrogen 2.883 N/A GLN 571.A N ALA 567.A O no hydrogen 2.974 N/A PHE 572.A N ILE 568.A O no hydrogen 2.944 N/A LYS 573.A N THR 569.A O no hydrogen 2.974 N/A GLU 574.A N MET 570.A O no hydrogen 3.042 N/A ARG 575.A N PHE 572.A O no hydrogen 3.149 N/A ARG 575.A NE GLU 91.A OE2 no hydrogen 2.880 N/A ARG 575.A NH1 GLU 179.A OE1 no hydrogen 3.097 N/A ARG 575.A NH1 PHE 572.A O no hydrogen 2.861 N/A ARG 575.A NH2 GLU 179.A OE1 no hydrogen 3.422 N/A HIS 577.A N GLU 574.A O no hydrogen 3.108 N/A