Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1itz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 6.A N THR 3.A O no hydrogen 3.181 N/A LEU 7.A N THR 3.A O no hydrogen 3.317 N/A GLU 8.A N GLY 4.A O no hydrogen 3.143 N/A LYS 9.A N GLU 5.A O no hydrogen 2.915 N/A LYS 9.A NZ ASP 294.A OD1 no hydrogen 2.866 N/A LYS 9.A NZ ASP 294.A OD2 no hydrogen 3.119 N/A SER 10.A N LEU 6.A O no hydrogen 2.885 N/A SER 10.A OG HIS 41.A ND1 no hydrogen 2.809 N/A VAL 11.A N LEU 7.A O no hydrogen 2.986 N/A ASN 12.A N GLU 8.A O no hydrogen 2.917 N/A THR 13.A N LYS 9.A O no hydrogen 2.843 N/A THR 13.A OG1 LYS 9.A O no hydrogen 2.722 N/A ILE 14.A N SER 10.A O no hydrogen 3.236 N/A ARG 15.A N VAL 11.A O no hydrogen 3.290 N/A ARG 15.A NE MET 34.A O no hydrogen 2.776 N/A ARG 15.A NH1 ASN 12.A OD1 no hydrogen 2.952 N/A PHE 16.A N ASN 12.A O no hydrogen 2.869 N/A LEU 17.A N THR 13.A O no hydrogen 2.924 N/A ALA 18.A N ILE 14.A O no hydrogen 3.141 N/A ILE 19.A N ARG 15.A O no hydrogen 2.876 N/A ASP 20.A N PHE 16.A O no hydrogen 2.869 N/A ALA 21.A N LEU 17.A O no hydrogen 2.861 N/A VAL 22.A N ALA 18.A O no hydrogen 3.052 N/A GLU 23.A N ILE 19.A O no hydrogen 2.920 N/A LYS 24.A N ASP 20.A O no hydrogen 2.957 N/A LYS 24.A NZ LYS 92.A O no hydrogen 3.334 N/A ALA 25.A N ALA 21.A O no hydrogen 3.151 N/A ASN 26.A N GLU 23.A O no hydrogen 3.126 N/A SER 27.A N VAL 22.A O no hydrogen 3.301 N/A MET 34.A N PRO 30.A O no hydrogen 3.144 N/A GLY 35.A N GLY 31.A O no hydrogen 3.105 N/A CYS 36.A N LEU 32.A O no hydrogen 2.717 N/A CYS 36.A SG ASP 187.A OD2 no hydrogen 3.153 N/A GLY 40.A N CYS 36.A O no hydrogen 2.975 N/A HIS 41.A N ALA 37.A O no hydrogen 2.914 N/A VAL 42.A N PRO 38.A O no hydrogen 3.210 N/A LEU 43.A N MET 39.A O no hydrogen 3.010 N/A TYR 44.A N GLY 40.A O no hydrogen 3.019 N/A ASP 45.A N HIS 41.A O no hydrogen 2.917 N/A GLU 46.A N VAL 42.A O no hydrogen 3.001 N/A VAL 47.A N VAL 42.A O no hydrogen 3.145 N/A VAL 47.A N LEU 43.A O no hydrogen 3.339 N/A MET 48.A N LEU 43.A O no hydrogen 2.854 N/A ARG 49.A N ASP 61.A OD2 no hydrogen 2.700 N/A TYR 50.A OH TYR 44.A O no hydrogen 2.648 N/A ASN 51.A ND2 GLU 310.A OE2 no hydrogen 2.680 N/A LYS 53.A N ASN 51.A OD1 no hydrogen 3.017 N/A LYS 53.A NZ GLY 82.A O no hydrogen 2.754 N/A LYS 53.A NZ ASP 84.A OD1 no hydrogen 2.968 N/A ASN 54.A N ASN 51.A O no hydrogen 2.899 N/A TRP 57.A N ASN 54.A O no hydrogen 3.269 N/A ASN 59.A ND2 ASP 150.A O no hydrogen 3.201 N/A ARG 60.A N TRP 57.A O no hydrogen 3.245 N/A ARG 60.A NE GLU 114.A OE2 no hydrogen 3.043 N/A ARG 60.A NH1 TRP 57.A O no hydrogen 2.827 N/A ARG 60.A NH2 GLU 114.A OE1 no hydrogen 2.849 N/A ASP 61.A N ARG 49.A O no hydrogen 2.906 N/A ARG 62.A N TYR 152.A O no hydrogen 2.930 N/A ARG 62.A NH1 PHE 58.A O no hydrogen 2.750 N/A ARG 62.A NH1 ARG 60.A O no hydrogen 2.897 N/A ARG 62.A NH2 HIS 427.A O no hydrogen 2.755 N/A VAL 64.A N TYR 154.A O no hydrogen 2.834 N/A SER 66.A N ILE 156.A O no hydrogen 2.818 N/A GLY 70.A N ALA 67.A O no hydrogen 3.004 N/A CYS 71.A N GLY 68.A O no hydrogen 2.995 N/A CYS 71.A SG PRO 102.A O no hydrogen 3.754 N/A CYS 71.A SG GLY 103.A O no hydrogen 3.149 N/A LEU 73.A N GLY 70.A O no hydrogen 2.875 N/A TYR 75.A N CYS 71.A O no hydrogen 2.922 N/A TYR 75.A OH PRO 102.A O no hydrogen 2.881 N/A ALA 76.A N MET 72.A O no hydrogen 2.878 N/A LEU 77.A N LEU 73.A O no hydrogen 3.147 N/A LEU 78.A N GLN 74.A O no hydrogen 2.839 N/A HIS 79.A N TYR 75.A O no hydrogen 2.935 N/A HIS 79.A ND1 VAL 86.A O no hydrogen 2.779 N/A LEU 80.A N ALA 76.A O no hydrogen 2.947 N/A ALA 81.A N LEU 77.A O no hydrogen 2.875 N/A GLY 82.A N LEU 78.A O no hydrogen 3.237 N/A GLY 82.A N HIS 79.A O no hydrogen 3.207 N/A TYR 83.A N LEU 78.A O no hydrogen 3.084 N/A SER 85.A OG PRO 111.A O no hydrogen 2.658 N/A VAL 86.A N TYR 83.A O no hydrogen 3.491 N/A LYS 87.A N ASP 90.A OD2 no hydrogen 2.742 N/A ASP 90.A N LYS 87.A O no hydrogen 2.958 N/A LEU 91.A N LYS 87.A O no hydrogen 3.263 N/A LYS 92.A N GLU 88.A O no hydrogen 3.271 N/A LYS 92.A NZ GLU 88.A OE1 no hydrogen 3.246 N/A GLN 93.A N ASP 90.A O no hydrogen 2.885 N/A PHE 94.A N LEU 91.A O no hydrogen 3.373 N/A ARG 95.A N THR 101.A O no hydrogen 2.954 N/A ARG 95.A NE SER 27.A OG no hydrogen 3.045 N/A ARG 95.A NH1 SER 27.A OG no hydrogen 3.246 N/A GLN 96.A N GLN 93.A O no hydrogen 3.045 N/A GLN 96.A NE2 PHE 94.A O no hydrogen 2.986 N/A SER 99.A N GLN 96.A O no hydrogen 3.176 N/A SER 99.A OG GLN 93.A O no hydrogen 2.943 N/A SER 99.A OG GLN 96.A O no hydrogen 3.450 N/A SER 99.A OG THR 101.A OG1 no hydrogen 3.119 N/A THR 101.A N SER 99.A OG no hydrogen 3.126 N/A THR 101.A OG1 ASP 90.A O no hydrogen 2.895 N/A THR 101.A OG1 SER 99.A OG no hydrogen 3.119 N/A GLU 109.A N GLU 106.A O no hydrogen 3.148 N/A THR 110.A N GLU 106.A O no hydrogen 3.138 N/A THR 110.A OG1 ARG 100.A O no hydrogen 2.532 N/A VAL 113.A N THR 110.A O no hydrogen 2.920 N/A THR 117.A N PRO 105.A O no hydrogen 3.177 N/A THR 117.A OG1 LEU 65.A O no hydrogen 2.770 N/A GLN 122.A N PRO 119.A O no hydrogen 3.454 N/A ILE 124.A N SER 66.A OG no hydrogen 2.994 N/A ASN 126.A N GLN 122.A O no hydrogen 2.812 N/A ASN 126.A ND2 ALA 419.A O no hydrogen 2.815 N/A ALA 127.A N GLY 123.A O no hydrogen 2.912 N/A VAL 128.A N ILE 124.A O no hydrogen 3.210 N/A GLY 129.A N ALA 125.A O no hydrogen 3.238 N/A LEU 130.A N ASN 126.A O no hydrogen 2.829 N/A ALA 131.A N ALA 127.A O no hydrogen 2.855 N/A LEU 132.A N VAL 128.A O no hydrogen 2.943 N/A ALA 133.A N GLY 129.A O no hydrogen 2.938 N/A GLU 134.A N LEU 130.A O no hydrogen 3.113 N/A LYS 135.A N ALA 131.A O no hydrogen 3.008 N/A LYS 135.A NZ GLY 178.A O no hydrogen 3.480 N/A HIS 136.A N LEU 132.A O no hydrogen 2.819 N/A HIS 136.A ND1 ALA 403.A O no hydrogen 2.869 N/A LEU 137.A N ALA 133.A O no hydrogen 2.862 N/A ALA 138.A N GLU 134.A O no hydrogen 2.785 N/A ALA 139.A N LYS 135.A O no hydrogen 2.922 N/A ARG 140.A N HIS 136.A O no hydrogen 2.859 N/A ARG 140.A NH1 PRO 375.A O no hydrogen 2.826 N/A ARG 140.A NH2 HIS 136.A NE2 no hydrogen 2.944 N/A ARG 140.A NH2 PRO 375.A O no hydrogen 3.085 N/A PHE 141.A N LEU 137.A O no hydrogen 2.824 N/A ASN 142.A N ALA 138.A O no hydrogen 2.901 N/A ASN 142.A ND2 VAL 149.A O no hydrogen 3.046 N/A LYS 143.A N SER 146.A O no hydrogen 2.910 N/A LYS 143.A NZ ASP 327.A OD1 no hydrogen 2.619 N/A SER 146.A N LYS 143.A O no hydrogen 3.178 N/A VAL 149.A N ASN 142.A OD1 no hydrogen 3.027 N/A ASP 150.A N ASN 59.A OD1 no hydrogen 2.803 N/A HIS 151.A N GLU 134.A OE1 no hydrogen 3.252 N/A HIS 151.A ND1 ASN 59.A OD1 no hydrogen 3.025 N/A TYR 152.A N ASP 61.A OD1 no hydrogen 2.768 N/A THR 153.A N LYS 181.A O no hydrogen 2.952 N/A TYR 154.A N ARG 62.A O no hydrogen 2.718 N/A VAL 155.A N ILE 183.A O no hydrogen 3.138 N/A ILE 156.A N VAL 64.A O no hydrogen 3.035 N/A LEU 157.A N PHE 185.A O no hydrogen 2.943 N/A CYS 161.A SG SER 66.A OG no hydrogen 3.126 N/A GLN 162.A N GLY 158.A O no hydrogen 3.308 N/A MET 163.A N ASP 159.A O no hydrogen 3.073 N/A MET 163.A N GLY 160.A O no hydrogen 3.262 N/A GLU 164.A N CYS 161.A O no hydrogen 3.268 N/A ALA 167.A N GLU 164.A O no hydrogen 2.942 N/A GLU 169.A N GLY 165.A O no hydrogen 2.928 N/A ALA 170.A N ILE 166.A O no hydrogen 2.994 N/A CYS 171.A N ALA 167.A O no hydrogen 2.875 N/A CYS 171.A SG ALA 167.A O no hydrogen 3.189 N/A SER 172.A N ASN 168.A O no hydrogen 3.005 N/A LEU 173.A N GLU 169.A O no hydrogen 3.236 N/A ALA 174.A N ALA 170.A O no hydrogen 2.926 N/A GLY 175.A N CYS 171.A O no hydrogen 3.071 N/A HIS 176.A N SER 172.A O no hydrogen 3.009 N/A HIS 176.A NE2 GLN 399.A OE1 no hydrogen 3.084 N/A TRP 177.A N LEU 173.A O no hydrogen 2.795 N/A GLY 178.A N GLY 175.A O no hydrogen 3.282 N/A LEU 179.A N ALA 174.A O no hydrogen 3.354 N/A GLY 180.A N GLY 178.A O no hydrogen 2.897 N/A LYS 181.A NZ GLU 134.A OE1 no hydrogen 2.679 N/A LYS 181.A NZ ASP 150.A OD2 no hydrogen 2.736 N/A LEU 182.A N LEU 179.A O no hydrogen 3.107 N/A ILE 183.A N THR 153.A O no hydrogen 2.875 N/A ALA 184.A N THR 244.A O no hydrogen 2.884 N/A PHE 185.A N VAL 155.A O no hydrogen 2.676 N/A TYR 186.A N ILE 246.A O no hydrogen 2.787 N/A TYR 186.A OH ASP 159.A OD2 no hydrogen 2.575 N/A ASP 187.A N LEU 157.A O no hydrogen 2.819 N/A ASP 188.A N VAL 248.A O no hydrogen 2.884 N/A ILE 191.A N ASN 189.A OD1 no hydrogen 3.093 N/A SER 192.A N GLY 195.A O no hydrogen 2.896 N/A GLY 195.A N SER 192.A O no hydrogen 3.153 N/A THR 197.A N HIS 190.A O no hydrogen 3.091 N/A GLU 198.A N ASP 196.A OD2 no hydrogen 2.813 N/A ILE 199.A N ASP 196.A O no hydrogen 3.352 N/A ALA 200.A N THR 197.A O no hydrogen 3.043 N/A PHE 201.A N THR 197.A O no hydrogen 2.784 N/A THR 207.A N ASP 204.A OD1 no hydrogen 3.140 N/A THR 207.A OG1 ASP 204.A OD2 no hydrogen 2.356 N/A ARG 208.A N ASP 204.A O no hydrogen 3.051 N/A ARG 208.A NE GLU 203.A OE2 no hydrogen 2.710 N/A ARG 208.A NH1 ASN 168.A OD1 no hydrogen 2.757 N/A ARG 208.A NH2 GLU 203.A OE2 no hydrogen 2.902 N/A PHE 209.A N VAL 205.A O no hydrogen 2.969 N/A GLU 210.A N SER 206.A O no hydrogen 3.134 N/A ALA 211.A N THR 207.A O no hydrogen 3.054 N/A LEU 212.A N ARG 208.A O no hydrogen 3.024 N/A GLY 213.A N GLU 210.A O no hydrogen 2.963 N/A TRP 214.A N PHE 209.A O no hydrogen 2.920 N/A TRP 214.A NE1 CYS 171.A O no hydrogen 2.817 N/A HIS 215.A N PRO 243.A O no hydrogen 2.790 N/A ILE 217.A N LEU 245.A O no hydrogen 2.989 N/A TRP 218.A NE1 THR 249.A OG1 no hydrogen 2.815 N/A VAL 219.A N LYS 247.A O no hydrogen 2.842 N/A ASN 221.A ND2 THR 224.A OG1 no hydrogen 2.773 N/A GLY 222.A N THR 249.A O no hydrogen 2.703 N/A THR 224.A N ASN 221.A OD1 no hydrogen 3.368 N/A GLY 225.A N ASN 221.A O no hydrogen 2.879 N/A TYR 226.A OH GLU 8.A OE2 no hydrogen 2.879 N/A ILE 229.A N GLY 225.A O no hydrogen 3.054 N/A ARG 230.A N TYR 226.A O no hydrogen 3.007 N/A ARG 230.A NE GLU 46.A OE1 no hydrogen 2.823 N/A ARG 230.A NH1 GLU 46.A OE2 no hydrogen 2.975 N/A ARG 230.A NH2 ASP 227.A OD1 no hydrogen 2.955 N/A ALA 231.A N ASP 227.A O no hydrogen 2.863 N/A ALA 232.A N ASP 228.A O no hydrogen 2.892 N/A ILE 233.A N ILE 229.A O no hydrogen 3.054 N/A LYS 234.A N ARG 230.A O no hydrogen 3.011 N/A GLU 235.A N ALA 231.A O no hydrogen 2.897 N/A ALA 236.A N ALA 232.A O no hydrogen 2.858 N/A LYS 237.A N ILE 233.A O no hydrogen 3.031 N/A ALA 238.A N LYS 234.A O no hydrogen 3.260 N/A ALA 238.A N GLU 235.A O no hydrogen 3.111 N/A VAL 239.A N GLU 235.A O no hydrogen 3.305 N/A THR 244.A N LEU 182.A O no hydrogen 3.152 N/A LEU 245.A N HIS 215.A O no hydrogen 2.806 N/A ILE 246.A N ALA 184.A O no hydrogen 2.700 N/A LYS 247.A N ILE 217.A O no hydrogen 2.862 N/A VAL 248.A N TYR 186.A O no hydrogen 2.855 N/A THR 249.A N VAL 219.A O no hydrogen 3.133 N/A THR 249.A OG1 ASP 188.A OD2 no hydrogen 2.896 N/A THR 250.A N ASP 188.A O no hydrogen 3.219 N/A THR 250.A OG1 ASP 187.A OD1 no hydrogen 2.677 N/A THR 251.A N ASN 223.A OD1 no hydrogen 3.116 N/A GLY 253.A N GLY 31.A O no hydrogen 3.152 N/A PHE 254.A N THR 251.A O no hydrogen 3.179 N/A SER 256.A N GLY 253.A O no hydrogen 3.016 N/A SER 256.A OG GLU 274.A OE2 no hydrogen 2.679 N/A ASN 258.A N GLU 274.A OE2 no hydrogen 2.961 N/A LYS 259.A N SER 256.A OG no hydrogen 3.079 N/A LYS 259.A NZ LEU 270.A O no hydrogen 2.684 N/A ALA 260.A N SER 256.A O no hydrogen 3.249 N/A ASN 261.A N ILE 252.A O no hydrogen 2.823 N/A SER 262.A OG LYS 259.A O no hydrogen 2.997 N/A SER 262.A OG SER 264.A OG no hydrogen 2.414 N/A SER 264.A N SER 262.A OG no hydrogen 3.270 N/A SER 264.A OG SER 262.A OG no hydrogen 2.414 N/A VAL 265.A N SER 262.A O no hydrogen 3.290 N/A HIS 266.A N TYR 263.A O no hydrogen 3.250 N/A SER 268.A OG SER 264.A O no hydrogen 3.188 N/A GLY 271.A N GLU 23.A OE1 no hydrogen 3.048 N/A VAL 275.A N GLY 271.A O no hydrogen 2.913 N/A GLU 276.A N ALA 272.A O no hydrogen 3.125 N/A ALA 277.A N LYS 273.A O no hydrogen 3.008 N/A THR 278.A N GLU 274.A O no hydrogen 2.759 N/A THR 278.A OG1 GLU 274.A O no hydrogen 2.643 N/A ARG 279.A N VAL 275.A O no hydrogen 2.932 N/A ARG 279.A NE TYR 286.A O no hydrogen 3.182 N/A ARG 279.A NH1 ASP 20.A OD1 no hydrogen 3.445 N/A ARG 279.A NH1 ASP 20.A OD2 no hydrogen 2.984 N/A ARG 279.A NH2 ASP 20.A OD1 no hydrogen 3.134 N/A GLN 280.A N GLU 276.A O no hydrogen 3.029 N/A ASN 281.A N ALA 277.A O no hydrogen 3.041 N/A ASN 281.A ND2 GLY 255.A O no hydrogen 2.930 N/A LEU 282.A N THR 278.A O no hydrogen 3.026 N/A GLY 283.A N GLN 280.A O no hydrogen 3.109 N/A TRP 284.A N ARG 279.A O no hydrogen 2.679 N/A PHE 289.A N ASP 20.A OD2 no hydrogen 3.202 N/A LYS 296.A N PRO 292.A O no hydrogen 2.928 N/A LYS 296.A NZ GLU 293.A OE2 no hydrogen 3.022 N/A SER 297.A N GLU 293.A O no hydrogen 2.849 N/A HIS 298.A N ASP 294.A O no hydrogen 2.997 N/A HIS 298.A NE2 ASP 45.A OD1 no hydrogen 2.830 N/A TRP 299.A N VAL 295.A O no hydrogen 3.058 N/A TRP 299.A NE1 SER 10.A OG no hydrogen 2.978 N/A SER 300.A N LYS 296.A O no hydrogen 3.041 N/A SER 300.A N SER 297.A O no hydrogen 3.250 N/A SER 300.A OG SER 297.A O no hydrogen 2.724 N/A ARG 301.A NH1 ASP 45.A OD2 no hydrogen 3.000 N/A ARG 301.A NH1 HIS 298.A O no hydrogen 3.041 N/A ARG 301.A NH2 ASP 45.A OD1 no hydrogen 3.529 N/A ARG 301.A NH2 ASP 45.A OD2 no hydrogen 3.155 N/A HIS 302.A N TRP 299.A O no hydrogen 3.135 N/A HIS 302.A NE2 ASP 45.A OD2 no hydrogen 2.664 N/A THR 303.A N SER 300.A O no hydrogen 3.344 N/A GLU 305.A N ARG 301.A O no hydrogen 2.972 N/A GLY 306.A N HIS 302.A O no hydrogen 2.772 N/A ALA 307.A N THR 303.A O no hydrogen 3.028 N/A ALA 308.A N PRO 304.A O no hydrogen 3.005 N/A LEU 309.A N GLU 305.A O no hydrogen 2.982 N/A GLU 310.A N GLY 306.A O no hydrogen 3.166 N/A ALA 311.A N ALA 307.A O no hydrogen 2.981 N/A ASP 312.A N ALA 308.A O no hydrogen 2.958 N/A TRP 313.A N LEU 309.A O no hydrogen 3.078 N/A TRP 313.A NE1 ILE 148.A O no hydrogen 2.698 N/A ASN 314.A N GLU 310.A O no hydrogen 2.806 N/A ALA 315.A N ALA 311.A O no hydrogen 2.930 N/A LYS 316.A N ASP 312.A O no hydrogen 3.162 N/A LYS 316.A NZ ASP 312.A OD1 no hydrogen 3.504 N/A PHE 317.A N TRP 313.A O no hydrogen 2.917 N/A ALA 318.A N ASN 314.A O no hydrogen 2.902 N/A GLU 319.A N ALA 315.A O no hydrogen 3.104 N/A TYR 320.A N LYS 316.A O no hydrogen 3.073 N/A TYR 320.A OH PHE 141.A O no hydrogen 2.720 N/A GLU 321.A N PHE 317.A O no hydrogen 2.727 N/A LYS 322.A N ALA 318.A O no hydrogen 3.254 N/A LYS 323.A N GLU 319.A O no hydrogen 3.393 N/A LYS 323.A N TYR 320.A O no hydrogen 3.229 N/A LYS 323.A NZ ASP 145.A OD1 no hydrogen 2.755 N/A TYR 324.A N TYR 320.A O no hydrogen 2.886 N/A TYR 324.A OH ASP 145.A OD1 no hydrogen 3.316 N/A TYR 324.A OH ASP 145.A OD2 no hydrogen 2.578 N/A ALA 328.A N TYR 324.A O no hydrogen 2.923 N/A ALA 329.A N ALA 325.A O no hydrogen 2.945 N/A THR 330.A N ASP 326.A O no hydrogen 3.124 N/A THR 330.A OG1 ASP 326.A O no hydrogen 3.101 N/A LEU 331.A N ASP 327.A O no hydrogen 2.896 N/A LYS 332.A N ALA 328.A O no hydrogen 2.876 N/A SER 333.A N THR 330.A O no hydrogen 3.159 N/A SER 333.A OG GLU 338.A O no hydrogen 3.174 N/A ILE 335.A N LEU 331.A O no hydrogen 2.980 N/A THR 336.A N LYS 332.A O no hydrogen 2.825 N/A THR 336.A OG1 LYS 332.A O no hydrogen 2.866 N/A GLY 337.A N SER 333.A O no hydrogen 3.015 N/A GLU 338.A N THR 336.A OG1 no hydrogen 3.329 N/A ASP 345.A N GLY 342.A O no hydrogen 3.146 N/A ALA 346.A N TRP 343.A O no hydrogen 2.988 N/A LEU 347.A N VAL 344.A O no hydrogen 3.241 N/A TYR 350.A N ASN 501.A OD1 no hydrogen 2.877 N/A THR 351.A N SER 354.A OG no hydrogen 3.316 N/A THR 351.A OG1 GLU 353.A OE2 no hydrogen 3.173 N/A GLU 353.A N THR 351.A OG1 no hydrogen 3.370 N/A SER 354.A N THR 351.A O no hydrogen 2.795 N/A SER 354.A OG THR 351.A O no hydrogen 3.242 N/A ASP 357.A N LEU 527.A O no hydrogen 3.045 N/A ALA 358.A N ASP 357.A OD2 no hydrogen 2.928 N/A THR 359.A N SER 523.A OG no hydrogen 3.281 N/A THR 359.A OG1 SER 523.A OG no hydrogen 3.409 N/A ARG 360.A NE ARG 524.A O no hydrogen 3.248 N/A ARG 360.A NH1 SER 387.A O no hydrogen 2.939 N/A ARG 360.A NH2 ARG 524.A O no hydrogen 3.438 N/A ASN 361.A N ALA 358.A O no hydrogen 2.945 N/A LEU 362.A N ALA 358.A O no hydrogen 3.143 N/A SER 363.A N THR 359.A O no hydrogen 2.838 N/A SER 363.A OG TYR 507.A OH no hydrogen 2.624 N/A GLN 364.A N ARG 360.A O no hydrogen 3.286 N/A GLN 365.A N ASN 361.A O no hydrogen 3.204 N/A CYS 366.A N LEU 362.A O no hydrogen 3.075 N/A CYS 366.A SG LEU 362.A O no hydrogen 3.529 N/A LEU 367.A N SER 363.A O no hydrogen 2.855 N/A ASN 368.A N GLN 364.A O no hydrogen 2.961 N/A ALA 369.A N GLN 365.A O no hydrogen 2.892 N/A LEU 370.A N CYS 366.A O no hydrogen 2.870 N/A ALA 371.A N LEU 367.A O no hydrogen 3.041 N/A ASN 372.A N ALA 369.A O no hydrogen 3.300 N/A VAL 373.A N LEU 370.A O no hydrogen 2.976 N/A VAL 374.A N LEU 370.A O no hydrogen 2.881 N/A LEU 377.A N VAL 374.A O no hydrogen 3.232 N/A ILE 378.A N VAL 432.A O no hydrogen 3.330 N/A GLY 379.A N ARG 406.A O no hydrogen 3.436 N/A GLY 380.A N TYR 434.A O no hydrogen 3.064 N/A SER 381.A OG ALA 436.A O no hydrogen 3.564 N/A ALA 382.A N ALA 436.A O no hydrogen 2.974 N/A LEU 384.A N SER 381.A OG no hydrogen 2.921 N/A SER 387.A N LEU 384.A O no hydrogen 2.975 N/A ASN 388.A N LEU 384.A O no hydrogen 2.694 N/A ASN 388.A ND2 SER 381.A OG no hydrogen 2.721 N/A MET 389.A N ALA 385.A O no hydrogen 3.139 N/A LEU 392.A N ASN 407.A OD1 no hydrogen 2.748 N/A PHE 395.A N LEU 392.A O no hydrogen 3.185 N/A GLY 396.A N GLU 405.A OE2 no hydrogen 2.761 N/A PHE 398.A N ASN 407.A O no hydrogen 2.750 N/A THR 402.A N GLN 399.A O no hydrogen 3.053 N/A THR 402.A OG1 ASP 397.A O no hydrogen 2.827 N/A GLU 405.A N THR 402.A O no hydrogen 3.004 N/A ARG 406.A NE LEU 377.A O no hydrogen 2.993 N/A ARG 406.A NH2 ALA 371.A O no hydrogen 3.432 N/A ARG 406.A NH2 VAL 374.A O no hydrogen 3.117 N/A ARG 406.A NH2 LEU 377.A O no hydrogen 2.941 N/A ASN 407.A N GLY 396.A O no hydrogen 3.348 N/A ASN 407.A ND2 LEU 392.A O no hydrogen 2.949 N/A ASN 407.A ND2 PHE 395.A O no hydrogen 3.067 N/A ASN 407.A ND2 GLY 396.A O no hydrogen 3.184 N/A VAL 408.A N GLY 379.A O no hydrogen 2.882 N/A ARG 409.A NE ASP 397.A OD1 no hydrogen 3.037 N/A ARG 409.A NH2 ASP 397.A OD1 no hydrogen 3.406 N/A PHE 410.A N SER 381.A O no hydrogen 3.274 N/A ARG 413.A NH1 PHE 410.A O no hydrogen 2.841 N/A ARG 413.A NH2 SER 172.A OG no hydrogen 2.873 N/A GLU 414.A N GLU 414.A OE1 no hydrogen 2.838 N/A GLY 416.A N GLU 169.A OE1 no hydrogen 2.763 N/A MET 417.A N ARG 413.A O no hydrogen 2.894 N/A GLY 418.A N GLU 414.A O no hydrogen 2.954 N/A ALA 419.A N HIS 415.A O no hydrogen 3.194 N/A ILE 420.A N GLY 416.A O no hydrogen 2.932 N/A CYS 421.A N MET 417.A O no hydrogen 3.049 N/A CYS 421.A SG MET 417.A O no hydrogen 3.593 N/A ASN 422.A N GLY 418.A O no hydrogen 3.041 N/A ASN 422.A ND2 SER 452.A OG no hydrogen 2.647 N/A GLY 423.A N ALA 419.A O no hydrogen 3.030 N/A ILE 424.A N ILE 420.A O no hydrogen 2.939 N/A ALA 425.A N CYS 421.A O no hydrogen 2.876 N/A LEU 426.A N ASN 422.A O no hydrogen 3.029 N/A HIS 427.A N ILE 424.A O no hydrogen 3.128 N/A GLY 430.A N ILE 334.A O no hydrogen 2.877 N/A PHE 431.A N SER 428.A O no hydrogen 3.168 N/A VAL 432.A N GLY 376.A O no hydrogen 2.911 N/A TYR 434.A N ILE 378.A O no hydrogen 3.095 N/A TYR 434.A OH THR 390.A O no hydrogen 2.742 N/A CYS 435.A N ILE 460.A O no hydrogen 3.130 N/A ALA 436.A N GLY 380.A O no hydrogen 2.935 N/A PHE 439.A N THR 464.A O no hydrogen 2.960 N/A PHE 441.A N PHE 438.A O no hydrogen 2.760 N/A THR 442.A N PHE 439.A O no hydrogen 3.123 N/A THR 442.A OG1 PHE 439.A O no hydrogen 2.884 N/A TYR 444.A N PHE 441.A O no hydrogen 3.090 N/A MET 445.A N THR 442.A O no hydrogen 2.934 N/A ARG 446.A NH1 SER 485.A O no hydrogen 2.966 N/A ARG 446.A NH2 SER 485.A OG no hydrogen 2.868 N/A MET 449.A N MET 445.A O no hydrogen 3.161 N/A ARG 450.A N ARG 446.A O no hydrogen 2.959 N/A ILE 451.A N GLY 447.A O no hydrogen 3.313 N/A SER 452.A N ALA 448.A O no hydrogen 3.014 N/A SER 452.A OG ALA 448.A O no hydrogen 3.337 N/A SER 452.A OG TYR 461.A OH no hydrogen 2.598 N/A ALA 453.A N MET 449.A O no hydrogen 3.229 N/A LEU 454.A N ARG 450.A O no hydrogen 2.983 N/A SER 455.A N ILE 451.A O no hydrogen 2.663 N/A SER 455.A OG ILE 451.A O no hydrogen 2.712 N/A ALA 457.A N SER 452.A O no hydrogen 2.961 N/A VAL 459.A N ALA 457.A O no hydrogen 2.762 N/A ILE 460.A N PRO 433.A O no hydrogen 2.899 N/A TYR 461.A N SER 518.A O no hydrogen 2.745 N/A TYR 461.A OH SER 452.A OG no hydrogen 2.598 N/A VAL 462.A N CYS 435.A O no hydrogen 2.898 N/A MET 463.A N LEU 520.A O no hydrogen 2.905 N/A THR 464.A N THR 437.A O no hydrogen 3.308 N/A THR 464.A OG1 ASN 388.A OD1 no hydrogen 2.977 N/A THR 464.A OG1 HIS 465.A ND1 no hydrogen 2.747 N/A HIS 465.A ND1 THR 464.A OG1 no hydrogen 2.747 N/A ASP 466.A N LEU 522.A O no hydrogen 3.184 N/A GLY 469.A N SER 467.A OG no hydrogen 2.963 N/A LEU 470.A N SER 467.A O no hydrogen 3.042 N/A GLY 471.A N ILE 468.A O no hydrogen 2.891 N/A GLU 472.A N GLU 472.A OE2 no hydrogen 2.796 N/A GLY 474.A N GLY 471.A O no hydrogen 3.181 N/A THR 476.A OG1 HIS 477.A ND1 no hydrogen 2.831 N/A HIS 477.A N GLY 474.A O no hydrogen 2.959 N/A HIS 477.A ND1 THR 476.A OG1 no hydrogen 2.831 N/A GLN 478.A N PRO 475.A O no hydrogen 3.368 N/A GLN 478.A NE2 GLY 471.A O no hydrogen 2.830 N/A GLN 478.A NE2 ALA 641.A O no hydrogen 3.034 N/A ILE 480.A N HIS 482.A ND1 no hydrogen 3.389 N/A GLU 481.A N GLU 481.A OE1 no hydrogen 2.456 N/A HIS 482.A NE2 ASP 443.A OD1 no hydrogen 2.927 N/A SER 485.A N GLU 481.A O no hydrogen 3.036 N/A SER 485.A OG HIS 482.A O no hydrogen 2.869 N/A PHE 486.A N HIS 482.A O no hydrogen 3.240 N/A PHE 486.A N LEU 483.A O no hydrogen 3.061 N/A ARG 487.A N LEU 483.A O no hydrogen 2.985 N/A ARG 487.A NH1 GLU 616.A OE2 no hydrogen 3.476 N/A ARG 487.A NH2 GLU 616.A OE1 no hydrogen 2.410 N/A ARG 487.A NH2 GLU 616.A OE2 no hydrogen 3.241 N/A ALA 488.A N VAL 484.A O no hydrogen 3.039 N/A MET 489.A N PHE 486.A O no hydrogen 3.277 N/A ASN 491.A ND2 ALA 453.A O no hydrogen 2.880 N/A ASN 491.A ND2 LYS 515.A O no hydrogen 3.534 N/A LEU 493.A N PRO 517.A O no hydrogen 3.064 N/A MET 494.A N GLU 591.A OE1 no hydrogen 2.735 N/A LEU 495.A N ILE 519.A O no hydrogen 2.897 N/A ARG 496.A N VAL 588.A O no hydrogen 2.986 N/A ARG 496.A NE ASP 466.A OD2 no hydrogen 2.624 N/A ARG 496.A NH1 THR 561.A OG1 no hydrogen 3.006 N/A ARG 496.A NH1 GLU 564.A OE1 no hydrogen 2.856 N/A ARG 496.A NH2 ASP 466.A OD2 no hydrogen 2.732 N/A ARG 496.A NH2 GLU 564.A OE1 no hydrogen 3.179 N/A ALA 498.A N GLU 502.A OE1 no hydrogen 2.723 N/A ASN 501.A ND2 TYR 350.A O no hydrogen 3.095 N/A ASN 501.A ND2 THR 533.A OG1 no hydrogen 3.331 N/A GLU 502.A N ASP 499.A OD1 no hydrogen 3.095 N/A THR 503.A N ASP 499.A O no hydrogen 2.815 N/A THR 503.A OG1 ASP 499.A O no hydrogen 2.818 N/A ALA 504.A N GLY 500.A O no hydrogen 3.017 N/A GLY 505.A N ASN 501.A O no hydrogen 2.912 N/A ALA 506.A N GLU 502.A O no hydrogen 2.728 N/A TYR 507.A N THR 503.A O no hydrogen 3.056 N/A TYR 507.A OH SER 363.A OG no hydrogen 2.624 N/A LYS 508.A N ALA 504.A O no hydrogen 2.996 N/A LYS 508.A NZ GLU 539.A OE2 no hydrogen 2.979 N/A VAL 509.A N GLY 505.A O no hydrogen 3.045 N/A ALA 510.A N ALA 506.A O no hydrogen 2.871 N/A VAL 511.A N TYR 507.A O no hydrogen 2.940 N/A LEU 512.A N LYS 508.A O no hydrogen 3.028 N/A ASN 513.A N VAL 509.A O no hydrogen 2.995 N/A ARG 514.A NE VAL 511.A O no hydrogen 2.728 N/A ARG 514.A NH1 GLY 458.A O no hydrogen 2.965 N/A ARG 514.A NH1 ALA 510.A O no hydrogen 3.070 N/A ARG 514.A NH2 GLY 458.A O no hydrogen 3.052 N/A ARG 516.A NH2 GLU 595.A OE1 no hydrogen 2.593 N/A SER 518.A N VAL 459.A O no hydrogen 3.078 N/A ILE 519.A N LEU 493.A O no hydrogen 2.911 N/A LEU 520.A N TYR 461.A O no hydrogen 2.822 N/A ALA 521.A N LEU 495.A O no hydrogen 2.846 N/A LEU 522.A N MET 463.A O no hydrogen 2.747 N/A SER 523.A N THR 359.A OG1 no hydrogen 2.723 N/A SER 523.A OG THR 359.A OG1 no hydrogen 3.409 N/A SER 523.A OG GLN 525.A O no hydrogen 2.780 N/A GLN 525.A N GLN 525.A OE1 no hydrogen 2.651 N/A LEU 527.A N ASP 357.A O no hydrogen 3.072 N/A LEU 530.A N ASP 499.A OD2 no hydrogen 2.894 N/A THR 533.A OG1 ASP 499.A OD1 no hydrogen 3.357 N/A THR 533.A OG1 ASP 499.A OD2 no hydrogen 2.810 N/A THR 533.A OG1 LEU 530.A O no hydrogen 3.201 N/A SER 534.A N TYR 543.A OH no hydrogen 3.229 N/A GLY 537.A N SER 534.A OG no hydrogen 3.123 N/A VAL 538.A N SER 534.A O no hydrogen 3.389 N/A LYS 540.A N GLY 537.A O no hydrogen 2.678 N/A GLY 541.A N VAL 538.A O no hydrogen 2.767 N/A GLY 542.A N LYS 540.A O no hydrogen 2.884 N/A TYR 543.A N SER 586.A O no hydrogen 3.012 N/A TYR 543.A OH GLU 502.A OE2 no hydrogen 2.727 N/A ILE 545.A N VAL 584.A O no hydrogen 2.888 N/A ASN 548.A ND2 LYS 580.A O no hydrogen 3.269 N/A SER 549.A N ASP 547.A OD2 no hydrogen 2.865 N/A SER 549.A OG ASP 547.A OD1 no hydrogen 3.270 N/A SER 549.A OG ASP 547.A OD2 no hydrogen 2.800 N/A ASN 552.A ND2 GLU 602.A O no hydrogen 3.417 N/A LYS 553.A N THR 550.A O no hydrogen 3.262 N/A ASP 555.A N THR 581.A O no hydrogen 2.933 N/A ASP 555.A N THR 581.A OG1 no hydrogen 3.071 N/A LEU 556.A N THR 581.A O no hydrogen 3.219 N/A ILE 557.A N ALA 611.A O no hydrogen 3.046 N/A VAL 558.A N ARG 583.A O no hydrogen 2.897 N/A MET 559.A N ILE 613.A O no hydrogen 2.737 N/A GLY 560.A N VAL 585.A O no hydrogen 3.077 N/A THR 561.A OG1 GLU 616.A OE2 no hydrogen 2.502 N/A GLY 562.A N ARG 496.A O no hydrogen 3.025 N/A SER 563.A OG GLU 564.A OE2 no hydrogen 2.601 N/A GLU 564.A N THR 561.A O no hydrogen 2.956 N/A LEU 565.A N GLY 562.A O no hydrogen 3.094 N/A ALA 568.A N GLU 564.A O no hydrogen 3.103 N/A ALA 569.A N LEU 565.A O no hydrogen 2.847 N/A LYS 570.A N GLU 566.A O no hydrogen 2.965 N/A ALA 571.A N ILE 567.A O no hydrogen 2.980 N/A ALA 572.A N ALA 568.A O no hydrogen 2.993 N/A ASP 573.A N ALA 569.A O no hydrogen 3.103 N/A GLU 574.A N LYS 570.A O no hydrogen 3.209 N/A LEU 575.A N ALA 571.A O no hydrogen 2.974 N/A ARG 576.A N ALA 572.A O no hydrogen 2.912 N/A ARG 576.A N ASP 573.A O no hydrogen 3.084 N/A ARG 576.A NH1 SER 546.A OG no hydrogen 2.899 N/A ARG 576.A NH1 VAL 582.A O no hydrogen 2.809 N/A LYS 577.A N ASP 573.A O no hydrogen 3.177 N/A LYS 577.A N GLU 574.A O no hydrogen 3.257 N/A GLY 579.A N ARG 576.A O no hydrogen 2.754 N/A LYS 580.A N LEU 575.A O no hydrogen 3.357 N/A THR 581.A N ASP 555.A OD2 no hydrogen 2.671 N/A THR 581.A OG1 ASP 555.A OD2 no hydrogen 3.112 N/A VAL 582.A N ASN 548.A OD1 no hydrogen 2.539 N/A ARG 583.A N LEU 556.A O no hydrogen 2.951 N/A ARG 583.A NE ASP 547.A OD1 no hydrogen 2.727 N/A ARG 583.A NH1 ASN 552.A OD1 no hydrogen 2.987 N/A ARG 583.A NH1 VAL 604.A O no hydrogen 3.068 N/A ARG 583.A NH2 ASP 547.A OD1 no hydrogen 2.856 N/A ARG 583.A NH2 ASN 552.A OD1 no hydrogen 3.062 N/A VAL 584.A N SER 546.A O no hydrogen 2.900 N/A VAL 585.A N VAL 558.A O no hydrogen 2.852 N/A SER 586.A N TYR 543.A O no hydrogen 2.855 N/A SER 586.A OG GLU 502.A OE2 no hydrogen 2.546 N/A PHE 587.A N GLY 560.A O no hydrogen 3.037 N/A SER 589.A N GLY 541.A O no hydrogen 3.004 N/A SER 589.A OG GLU 591.A OE1 no hydrogen 2.941 N/A LEU 592.A N SER 589.A OG no hydrogen 3.246 N/A PHE 593.A N SER 589.A O no hydrogen 3.259 N/A ASP 594.A N TRP 590.A O no hydrogen 2.904 N/A GLU 595.A N GLU 591.A O no hydrogen 3.296 N/A GLU 595.A N LEU 592.A O no hydrogen 3.150 N/A GLN 596.A N PHE 593.A O no hydrogen 2.910 N/A GLN 596.A NE2 LEU 592.A O no hydrogen 3.177 N/A GLU 599.A N GLU 599.A OE1 no hydrogen 2.869 N/A TYR 600.A N SER 597.A OG no hydrogen 3.136 N/A TYR 600.A OH GLY 542.A O no hydrogen 2.726 N/A LYS 601.A N SER 597.A O no hydrogen 3.071 N/A LYS 601.A NZ ASP 594.A O no hydrogen 3.099 N/A GLU 602.A N ASP 598.A O no hydrogen 3.002 N/A SER 603.A N GLU 599.A O no hydrogen 3.005 N/A SER 603.A OG TYR 600.A O no hydrogen 2.537 N/A VAL 604.A N TYR 600.A O no hydrogen 3.167 N/A VAL 604.A N LYS 601.A O no hydrogen 2.984 N/A LEU 605.A N LYS 601.A O no hydrogen 2.705 N/A ALA 607.A N GLU 602.A OE2 no hydrogen 3.024 N/A VAL 609.A N PRO 606.A O no hydrogen 3.033 N/A ARG 612.A NE VAL 609.A O no hydrogen 3.056 N/A ARG 612.A NH1 PRO 606.A O no hydrogen 2.870 N/A ARG 612.A NH1 VAL 609.A O no hydrogen 3.440 N/A ARG 612.A NH2 TYR 626.A O no hydrogen 2.814 N/A ILE 613.A N ILE 557.A O no hydrogen 2.918 N/A SER 614.A N LYS 632.A O no hydrogen 2.937 N/A ILE 615.A N MET 559.A O no hydrogen 2.923 N/A GLU 616.A N ILE 634.A O no hydrogen 3.215 N/A ALA 617.A N GLU 564.A OE1 no hydrogen 2.723 N/A GLY 618.A N GLU 616.A O no hydrogen 2.723 N/A SER 619.A N ILE 480.A O no hydrogen 2.949 N/A SER 619.A OG ASP 637.A OD1 no hydrogen 3.341 N/A THR 620.A N ASP 637.A OD1 no hydrogen 2.737 N/A THR 620.A OG1 ASP 637.A OD1 no hydrogen 3.294 N/A THR 620.A OG1 ASP 637.A OD2 no hydrogen 2.640 N/A LEU 621.A N SER 619.A OG no hydrogen 3.185 N/A TRP 623.A N THR 620.A O no hydrogen 3.183 N/A TRP 623.A NE1 GLU 616.A OE1 no hydrogen 2.916 N/A LYS 625.A N GLY 622.A O no hydrogen 3.229 N/A LYS 625.A NZ ASP 594.A OD2 no hydrogen 2.986 N/A LYS 625.A NZ TYR 626.A OH no hydrogen 3.476 N/A TYR 626.A N TRP 623.A O no hydrogen 2.887 N/A TYR 626.A OH ASP 594.A OD1 no hydrogen 2.776 N/A VAL 627.A N TRP 623.A O no hydrogen 2.993 N/A GLY 628.A N GLN 624.A O no hydrogen 3.000 N/A LYS 632.A N ARG 612.A O no hydrogen 2.820 N/A ILE 634.A N SER 614.A O no hydrogen 2.780 N/A ILE 636.A N GLY 618.A O no hydrogen 2.780 N/A ALA 641.A N GLN 478.A OE1 no hydrogen 3.009 N/A SER 642.A OG GLU 472.A O no hydrogen 2.746 N/A ILE 648.A N PRO 644.A O no hydrogen 3.307 N/A TYR 649.A N ALA 645.A O no hydrogen 3.003 N/A TYR 649.A OH GLU 564.A OE2 no hydrogen 2.811 N/A LYS 650.A N GLY 646.A O no hydrogen 3.193 N/A GLU 651.A N THR 647.A O no hydrogen 2.925 N/A TYR 652.A N ILE 648.A O no hydrogen 2.837 N/A TYR 652.A OH PHE 639.A O no hydrogen 2.914 N/A GLY 653.A N LYS 650.A O no hydrogen 3.122 N/A ILE 654.A N TYR 649.A O no hydrogen 2.950 N/A THR 655.A OG1 SER 658.A OG no hydrogen 3.132 N/A SER 658.A N THR 655.A O no hydrogen 3.147 N/A SER 658.A N THR 655.A OG1 no hydrogen 3.319 N/A SER 658.A OG GLY 653.A O no hydrogen 2.754 N/A SER 658.A OG THR 655.A OG1 no hydrogen 3.132 N/A ILE 660.A N VAL 656.A O no hydrogen 3.034 N/A ALA 661.A N GLU 657.A O no hydrogen 2.755 N/A ALA 662.A N SER 658.A O no hydrogen 2.988 N/A ALA 663.A N ILE 659.A O no hydrogen 2.822 N/A LYS 664.A N ILE 660.A O no hydrogen 3.155 N/A LYS 664.A NZ GLU 578.A OE1 no hydrogen 3.209 N/A SER 665.A N ALA 662.A O no hydrogen 3.205 N/A SER 665.A OG ALA 661.A O no hydrogen 3.183 N/A SER 665.A OG ALA 662.A O no hydrogen 3.327 N/A PHE 666.A N ALA 663.A O no hydrogen 3.210 N/A