Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xmc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A N GLN 5.A OE1 no hydrogen 2.661 N/A ARG 2.A NE GLU 132.A OE1 no hydrogen 3.533 N/A ARG 2.A NE GLU 132.A OE2 no hydrogen 3.337 N/A ARG 2.A NH2 GLU 132.A OE2 no hydrogen 2.644 N/A THR 3.A N GLU 132.A O no hydrogen 3.161 N/A THR 3.A OG1 LEU 134.A O no hydrogen 2.692 N/A PHE 4.A N GLU 132.A OE1 no hydrogen 3.279 N/A GLN 5.A N ARG 2.A O no hydrogen 3.168 N/A TYR 6.A OH GLU 1.A OE1 no hydrogen 2.998 N/A GLN 7.A N PHE 4.A O no hydrogen 3.316 N/A GLN 7.A NE2 ASP 145.A OD1 no hydrogen 2.781 N/A SER 9.A N TYR 6.A O no hydrogen 2.910 N/A LEU 10.A N GLN 7.A O no hydrogen 3.334 N/A LEU 13.A N ARG 68.A O no hydrogen 2.881 N/A SER 21.A N ALA 17.A O no hydrogen 3.092 N/A SER 21.A OG HIS 485.A ND1 no hydrogen 2.674 N/A LEU 22.A N LEU 18.A O no hydrogen 2.971 N/A LYS 23.A N GLU 19.A O no hydrogen 2.997 N/A LYS 23.A NZ GLU 20.A OE2 no hydrogen 2.815 N/A LYS 24.A N GLU 20.A O no hydrogen 3.104 N/A LYS 24.A NZ ASP 475.A OD2 no hydrogen 3.231 N/A LYS 24.A NZ LYS 480.A O no hydrogen 2.645 N/A TYR 25.A N SER 21.A O no hydrogen 2.968 N/A LEU 26.A N LEU 22.A O no hydrogen 2.988 N/A GLU 27.A N LYS 23.A O no hydrogen 3.076 N/A SER 28.A N LYS 24.A O no hydrogen 3.050 N/A SER 28.A OG TYR 25.A O no hydrogen 2.618 N/A VAL 29.A N TYR 25.A O no hydrogen 3.269 N/A VAL 29.A N LEU 26.A O no hydrogen 3.252 N/A LYS 30.A N GLU 27.A O no hydrogen 3.414 N/A LYS 30.A NZ GLU 27.A OE1 no hydrogen 2.647 N/A PHE 32.A N VAL 29.A O no hydrogen 2.932 N/A ALA 33.A N LYS 30.A O no hydrogen 3.197 N/A ASN 34.A N GLU 37.A OE1 no hydrogen 2.959 N/A GLU 37.A N ASN 34.A OD1 no hydrogen 2.919 N/A TYR 38.A N ASN 34.A O no hydrogen 3.063 N/A LYS 39.A N GLU 35.A O no hydrogen 3.159 N/A LYS 39.A NZ GLU 42.A OE1 no hydrogen 2.937 N/A LYS 40.A N ASP 36.A O no hydrogen 3.078 N/A THR 41.A N GLU 37.A O no hydrogen 2.968 N/A THR 41.A OG1 GLU 37.A O no hydrogen 3.185 N/A THR 41.A OG1 ASP 506.A OD1 no hydrogen 3.505 N/A THR 41.A OG1 ASP 506.A OD2 no hydrogen 2.660 N/A GLU 42.A N TYR 38.A O no hydrogen 2.779 N/A GLU 43.A N LYS 39.A O no hydrogen 3.056 N/A ILE 44.A N LYS 40.A O no hydrogen 2.999 N/A VAL 45.A N THR 41.A O no hydrogen 2.840 N/A GLN 46.A N GLU 42.A O no hydrogen 2.957 N/A LYS 47.A N GLU 43.A O no hydrogen 3.122 N/A PHE 48.A N ILE 44.A O no hydrogen 3.072 N/A GLN 49.A N VAL 45.A O no hydrogen 2.887 N/A GLU 50.A N GLN 46.A O no hydrogen 3.014 N/A GLY 51.A N LYS 47.A O no hydrogen 2.853 N/A GLY 53.A N PHE 48.A O no hydrogen 2.744 N/A ARG 55.A N GLY 51.A O no hydrogen 3.226 N/A LEU 56.A N ALA 52.A O no hydrogen 2.845 N/A HIS 57.A N GLY 53.A O no hydrogen 2.777 N/A HIS 57.A ND1 HIS 485.A NE2 no hydrogen 3.111 N/A GLN 58.A N LYS 54.A O no hydrogen 3.189 N/A GLN 58.A NE2 GLU 62.A OE2 no hydrogen 3.244 N/A LYS 59.A N ARG 55.A O no hydrogen 3.204 N/A LYS 59.A NZ GLU 496.A OE1 no hydrogen 3.131 N/A LEU 60.A N LEU 56.A O no hydrogen 2.945 N/A LEU 61.A N HIS 57.A O no hydrogen 2.951 N/A GLU 62.A N GLN 58.A O no hydrogen 2.996 N/A ARG 63.A N LYS 59.A O no hydrogen 3.019 N/A ARG 63.A NE TRP 70.A O no hydrogen 3.018 N/A ALA 64.A N LEU 60.A O no hydrogen 2.956 N/A ARG 65.A N LEU 61.A O no hydrogen 3.103 N/A ARG 65.A N GLU 62.A O no hydrogen 3.272 N/A GLY 66.A N ARG 63.A O no hydrogen 3.092 N/A ARG 68.A NH1 GLN 7.A O no hydrogen 3.569 N/A ARG 68.A NH2 GLN 7.A O no hydrogen 2.877 N/A ARG 68.A NH2 LEU 10.A O no hydrogen 2.858 N/A ASN 69.A ND2 TYR 427.A O no hydrogen 2.847 N/A TRP 70.A NE1 PRO 14.A O no hydrogen 3.024 N/A LEU 71.A N ASN 69.A OD1 no hydrogen 2.934 N/A GLU 72.A N ASN 69.A OD1 no hydrogen 2.749 N/A TRP 74.A NE1 GLU 495.A OE2 no hydrogen 2.899 N/A TRP 75.A N LEU 71.A O no hydrogen 2.862 N/A LEU 76.A N GLU 72.A O no hydrogen 3.072 N/A ASN 77.A N GLU 73.A O no hydrogen 3.105 N/A VAL 78.A N TRP 74.A O no hydrogen 2.759 N/A ALA 79.A N TRP 75.A O no hydrogen 2.839 N/A TYR 80.A N LEU 76.A O no hydrogen 3.132 N/A LEU 81.A N LEU 76.A O no hydrogen 2.937 N/A ASP 82.A N ASN 77.A O no hydrogen 2.749 N/A VAL 83.A N TYR 80.A O no hydrogen 3.253 N/A ARG 84.A NE ASP 82.A O no hydrogen 3.007 N/A ARG 84.A NH1 GLY 160.A O no hydrogen 2.877 N/A ARG 84.A NH1 THR 236.A OG1 no hydrogen 3.339 N/A ARG 84.A NH2 LEU 81.A O no hydrogen 2.915 N/A ARG 84.A NH2 ASP 164.A OD1 no hydrogen 2.922 N/A GLN 88.A NE2 HIS 377.A NE2 no hydrogen 3.644 N/A ASN 90.A N PRO 86.A O no hydrogen 3.312 N/A ASN 90.A ND2 PRO 86.A O no hydrogen 2.863 N/A VAL 91.A N SER 87.A O no hydrogen 2.854 N/A ASN 92.A N SER 87.A O no hydrogen 2.963 N/A PHE 93.A N CYS 315.A O no hydrogen 3.089 N/A VAL 94.A N VAL 533.A O no hydrogen 3.052 N/A GLY 95.A N MET 313.A O no hydrogen 2.944 N/A CYS 97.A N PHE 311.A O no hydrogen 2.907 N/A HIS 99.A N CYS 97.A O no hydrogen 2.900 N/A HIS 102.A N HIS 99.A O no hydrogen 3.403 N/A TRP 104.A N HIS 99.A O no hydrogen 3.008 N/A TRP 104.A NE1 GLY 341.A O no hydrogen 2.918 N/A ARG 107.A N ASN 308.A O no hydrogen 2.782 N/A THR 110.A OG1 ARG 107.A O no hydrogen 2.868 N/A ARG 114.A N THR 110.A O no hydrogen 3.003 N/A ARG 114.A NH1 PRO 105.A O no hydrogen 2.606 N/A ARG 114.A NH1 GLY 309.A O no hydrogen 3.175 N/A ARG 114.A NH2 PRO 105.A O no hydrogen 2.823 N/A GLY 115.A N GLN 111.A O no hydrogen 3.003 N/A SER 116.A N LEU 112.A O no hydrogen 3.018 N/A SER 116.A N GLU 113.A O no hydrogen 3.257 N/A SER 116.A OG GLU 113.A O no hydrogen 2.504 N/A MET 118.A N ARG 114.A O no hydrogen 2.961 N/A LEU 119.A N GLY 115.A O no hydrogen 3.061 N/A TRP 120.A N SER 116.A O no hydrogen 3.224 N/A HIS 121.A N MET 117.A O no hydrogen 2.898 N/A ASN 122.A N MET 118.A O no hydrogen 2.942 N/A ASN 122.A ND2 MET 118.A O no hydrogen 2.743 N/A LEU 123.A N LEU 119.A O no hydrogen 2.724 N/A ASN 124.A N TRP 120.A O no hydrogen 2.936 N/A TYR 125.A N HIS 121.A O no hydrogen 3.080 N/A TRP 126.A N ASN 122.A O no hydrogen 3.243 N/A GLN 127.A N LEU 123.A O no hydrogen 3.059 N/A LEU 128.A N ASN 124.A O no hydrogen 2.990 N/A LEU 129.A N TYR 125.A O no hydrogen 2.988 N/A ARG 130.A N TRP 126.A O no hydrogen 2.823 N/A ARG 130.A NH1 LYS 171.A O no hydrogen 2.755 N/A ARG 130.A NH1 GLY 176.A O no hydrogen 3.078 N/A ARG 130.A NH2 GLY 176.A O no hydrogen 2.832 N/A ARG 131.A N GLN 127.A O no hydrogen 3.011 N/A GLU 132.A N LEU 129.A O no hydrogen 2.805 N/A LYS 133.A N LEU 128.A O no hydrogen 2.714 N/A LYS 138.A NZ GLU 1.A OE1 no hydrogen 2.899 N/A SER 139.A N THR 142.A O no hydrogen 2.767 N/A THR 142.A N SER 139.A O no hydrogen 2.984 N/A LEU 144.A N HIS 137.A O no hydrogen 2.855 N/A ASP 145.A N ARG 424.A O no hydrogen 2.772 N/A MET 146.A N GLN 7.A OE1 no hydrogen 2.752 N/A ASN 147.A N ASP 145.A OD2 no hydrogen 3.050 N/A PHE 149.A N MET 146.A O no hydrogen 3.080 N/A ARG 150.A N ASN 147.A O no hydrogen 2.861 N/A ARG 150.A NH1 GLU 175.A OE1 no hydrogen 2.899 N/A ARG 150.A NH2 GLU 175.A OE2 no hydrogen 2.543 N/A MET 151.A N GLN 148.A O no hydrogen 2.935 N/A LEU 152.A N PHE 149.A O no hydrogen 3.401 N/A SER 154.A N LEU 263.A O no hydrogen 2.859 N/A SER 154.A OG THR 261.A O no hydrogen 3.180 N/A THR 155.A OG1 ARG 150.A O no hydrogen 3.568 N/A THR 155.A OG1 PHE 153.A O no hydrogen 2.873 N/A THR 155.A OG1 ASN 168.A OD1 no hydrogen 2.739 N/A CYS 156.A N MET 167.A O no hydrogen 2.987 N/A CYS 156.A SG LYS 157.A O no hydrogen 3.514 N/A CYS 156.A SG ASP 298.A O no hydrogen 3.501 N/A LYS 157.A N ASP 298.A O no hydrogen 2.745 N/A LYS 157.A NZ SER 87.A OG no hydrogen 3.404 N/A LYS 157.A NZ ASP 316.A OD1 no hydrogen 2.795 N/A VAL 158.A N SER 165.A O no hydrogen 2.819 N/A GLY 160.A N ASP 164.A OD1 no hydrogen 2.937 N/A ARG 163.A NE ASP 82.A OD1 no hydrogen 2.590 N/A ARG 163.A NH2 ASP 82.A OD2 no hydrogen 3.100 N/A ASP 164.A N LEU 81.A O no hydrogen 2.958 N/A SER 165.A N VAL 158.A O no hydrogen 2.914 N/A MET 167.A N CYS 156.A O no hydrogen 2.834 N/A TYR 169.A N SER 154.A O no hydrogen 2.902 N/A TYR 169.A OH GLN 260.A OE1 no hydrogen 3.406 N/A THR 172.A N GLU 175.A OE1 no hydrogen 2.994 N/A GLU 173.A N ARG 130.A O no hydrogen 2.886 N/A GLU 175.A N THR 172.A O no hydrogen 2.834 N/A GLY 176.A N THR 172.A O no hydrogen 3.048 N/A CYS 178.A SG PRO 179.A O no hydrogen 3.472 N/A THR 180.A OG1 ASP 194.A OD2 no hydrogen 2.617 N/A HIS 181.A NE2 LYS 258.A O no hydrogen 2.838 N/A ILE 182.A N PHE 193.A O no hydrogen 3.120 N/A ALA 183.A N PHE 264.A O no hydrogen 3.158 N/A VAL 184.A N PHE 191.A O no hydrogen 2.720 N/A LEU 185.A N TYR 266.A O no hydrogen 2.902 N/A CYS 186.A N ARG 189.A O no hydrogen 2.803 N/A ARG 187.A NE CYS 218.A O no hydrogen 3.266 N/A ARG 187.A NH2 GLU 221.A O no hydrogen 2.683 N/A ARG 189.A N CYS 186.A O no hydrogen 2.610 N/A ARG 189.A NE GLU 357.A OE2 no hydrogen 2.716 N/A ARG 189.A NH1 GLU 221.A OE1 no hydrogen 3.107 N/A ARG 189.A NH2 GLU 357.A OE1 no hydrogen 3.030 N/A ARG 189.A NH2 GLU 357.A OE2 no hydrogen 3.311 N/A PHE 191.A N VAL 184.A O no hydrogen 2.707 N/A VAL 192.A N GLU 356.A O no hydrogen 2.792 N/A PHE 193.A N ILE 182.A O no hydrogen 3.326 N/A VAL 195.A N THR 180.A O no hydrogen 2.891 N/A LEU 196.A N ASP 194.A OD1 no hydrogen 2.461 N/A HIS 197.A N CYS 200.A O no hydrogen 2.763 N/A CYS 200.A N HIS 197.A O no hydrogen 3.108 N/A CYS 200.A SG HIS 197.A O no hydrogen 3.776 N/A CYS 200.A SG LEU 201.A O no hydrogen 3.817 N/A ILE 202.A N VAL 195.A O no hydrogen 2.858 N/A THR 203.A N GLU 206.A OE1 no hydrogen 2.966 N/A LEU 207.A N THR 203.A O no hydrogen 2.770 N/A LEU 208.A N PRO 204.A O no hydrogen 2.547 N/A ARG 209.A N PRO 205.A O no hydrogen 3.141 N/A ARG 209.A N GLU 206.A O no hydrogen 3.314 N/A ARG 209.A NH1 ILE 352.A O no hydrogen 3.145 N/A ARG 209.A NH2 ILE 352.A O no hydrogen 2.502 N/A GLN 210.A N GLU 206.A O no hydrogen 3.459 N/A LEU 211.A N LEU 207.A O no hydrogen 3.103 N/A THR 212.A N LEU 208.A O no hydrogen 2.921 N/A THR 212.A OG1 LEU 208.A O no hydrogen 2.604 N/A TYR 213.A N ARG 209.A O no hydrogen 2.925 N/A ILE 214.A N GLN 210.A O no hydrogen 3.064 N/A HIS 215.A N LEU 211.A O no hydrogen 2.817 N/A LYS 216.A N THR 212.A O no hydrogen 2.975 N/A LYS 217.A N TYR 213.A O no hydrogen 3.162 N/A CYS 218.A N ILE 214.A O no hydrogen 3.279 N/A CYS 218.A SG ILE 214.A O no hydrogen 3.472 N/A SER 219.A N HIS 215.A O no hydrogen 2.925 N/A SER 219.A OG HIS 215.A O no hydrogen 3.374 N/A SER 219.A OG LYS 216.A O no hydrogen 2.731 N/A GLU 221.A N CYS 218.A O no hydrogen 3.028 N/A GLY 224.A N ARG 187.A O no hydrogen 3.022 N/A SER 226.A N GLY 188.A O no hydrogen 2.960 N/A SER 226.A OG GLY 224.A O no hydrogen 3.038 N/A ALA 229.A N SER 226.A O no hydrogen 3.202 N/A LEU 230.A N ILE 227.A O no hydrogen 2.996 N/A THR 231.A N ALA 228.A O no hydrogen 2.866 N/A THR 231.A OG1 GLN 88.A OE1 no hydrogen 3.075 N/A THR 231.A OG1 ALA 228.A O no hydrogen 2.766 N/A THR 231.A OG1 ARG 295.A O no hydrogen 3.406 N/A SER 232.A N ALA 229.A O no hydrogen 3.276 N/A SER 232.A OG ALA 229.A O no hydrogen 2.863 N/A GLU 233.A N LEU 230.A O no hydrogen 3.234 N/A GLU 234.A N GLU 233.A OE1 no hydrogen 2.971 N/A ARG 235.A N ARG 84.A O no hydrogen 2.964 N/A ARG 235.A NE ASP 164.A OD2 no hydrogen 2.616 N/A ARG 235.A NH1 ASP 298.A OD1 no hydrogen 3.104 N/A ARG 235.A NH2 ASP 164.A OD2 no hydrogen 2.925 N/A ARG 235.A NH2 ASP 298.A OD1 no hydrogen 3.160 N/A THR 236.A OG1 ILE 161.A O no hydrogen 2.925 N/A ARG 237.A N GLU 234.A OE1 no hydrogen 2.938 N/A ARG 237.A NE GLU 233.A OE2 no hydrogen 3.347 N/A TRP 238.A N GLU 234.A O no hydrogen 3.018 N/A TRP 238.A NE1 ASP 298.A OD2 no hydrogen 2.668 N/A ALA 239.A N ARG 235.A O no hydrogen 2.977 N/A LYS 240.A N THR 236.A O no hydrogen 2.998 N/A ALA 241.A N ARG 237.A O no hydrogen 2.764 N/A ARG 242.A N TRP 238.A O no hydrogen 2.765 N/A GLU 243.A N ALA 239.A O no hydrogen 3.224 N/A TYR 244.A N LYS 240.A O no hydrogen 2.990 N/A TYR 244.A OH ASP 363.A OD2 no hydrogen 2.569 N/A LEU 245.A N ALA 241.A O no hydrogen 2.937 N/A ILE 246.A N ARG 242.A O no hydrogen 2.983 N/A SER 247.A N GLU 243.A O no hydrogen 2.999 N/A SER 247.A OG TYR 244.A O no hydrogen 2.520 N/A LEU 248.A N TYR 244.A O no hydrogen 3.197 N/A ASP 249.A N ILE 246.A O no hydrogen 3.153 N/A GLU 251.A N ASP 249.A OD1 no hydrogen 2.799 N/A ASN 252.A N ASP 249.A O no hydrogen 2.813 N/A ASN 252.A ND2 LEU 245.A O no hydrogen 2.867 N/A ASN 252.A ND2 THR 361.A O no hydrogen 3.133 N/A LEU 253.A N PRO 250.A O no hydrogen 3.219 N/A LEU 255.A N GLU 251.A O no hydrogen 3.201 N/A LEU 256.A N ASN 252.A O no hydrogen 2.979 N/A GLU 257.A N LEU 253.A O no hydrogen 2.705 N/A LYS 258.A N THR 254.A O no hydrogen 2.967 N/A ILE 259.A N LEU 255.A O no hydrogen 3.145 N/A GLN 260.A N LEU 256.A O no hydrogen 2.871 N/A THR 261.A N GLU 257.A O no hydrogen 2.834 N/A THR 261.A OG1 GLU 257.A O no hydrogen 2.919 N/A THR 261.A OG1 LYS 258.A O no hydrogen 3.292 N/A SER 262.A N LYS 258.A O no hydrogen 3.235 N/A SER 262.A OG ILE 259.A O no hydrogen 2.739 N/A SER 262.A OG PHE 264.A O no hydrogen 3.284 N/A LEU 263.A N HIS 181.A O no hydrogen 2.763 N/A VAL 265.A N TYR 301.A O no hydrogen 3.400 N/A TYR 266.A N ALA 183.A O no hydrogen 2.724 N/A SER 267.A N LEU 303.A O no hydrogen 2.808 N/A SER 267.A OG VAL 294.A O no hydrogen 2.516 N/A ILE 268.A N LEU 185.A O no hydrogen 3.020 N/A GLU 269.A N SER 305.A O no hydrogen 2.803 N/A SER 272.A OG GLU 108.A OE2 no hydrogen 3.112 N/A THR 276.A N GLU 279.A O no hydrogen 2.912 N/A THR 276.A OG1 GLU 279.A O no hydrogen 3.162 N/A GLU 279.A N THR 276.A OG1 no hydrogen 3.028 N/A SER 281.A N GLU 279.A OE2 no hydrogen 3.203 N/A SER 281.A OG GLU 279.A OE2 no hydrogen 2.625 N/A VAL 283.A N TYR 280.A O no hydrogen 3.014 N/A GLU 285.A N SER 281.A O no hydrogen 3.245 N/A MET 286.A N GLN 282.A O no hydrogen 3.081 N/A LEU 287.A N VAL 283.A O no hydrogen 3.034 N/A LEU 288.A N PHE 284.A O no hydrogen 3.044 N/A GLY 289.A N GLU 285.A O no hydrogen 2.859 N/A ASP 291.A N GLU 269.A OE2 no hydrogen 3.090 N/A SER 293.A N ASP 291.A OD1 no hydrogen 3.016 N/A SER 293.A OG ASP 291.A OD1 no hydrogen 2.341 N/A VAL 294.A N ASP 291.A O no hydrogen 3.114 N/A ARG 295.A N PRO 292.A O no hydrogen 3.283 N/A ARG 295.A NE GLU 269.A OE2 no hydrogen 3.136 N/A ARG 295.A NH1 LEU 287.A O no hydrogen 2.837 N/A ARG 295.A NH2 GLU 269.A OE2 no hydrogen 2.790 N/A ARG 295.A NH2 MET 286.A O no hydrogen 2.751 N/A TRP 296.A N ASN 302.A OD1 no hydrogen 3.053 N/A GLY 297.A N THR 231.A OG1 no hydrogen 3.046 N/A LYS 299.A N TRP 296.A O no hydrogen 2.877 N/A LYS 299.A NZ THR 155.A O no hydrogen 3.455 N/A LYS 299.A NZ ILE 259.A O no hydrogen 3.276 N/A LYS 299.A NZ SER 262.A O no hydrogen 2.714 N/A SER 300.A N THR 155.A O no hydrogen 3.298 N/A SER 300.A OG MET 151.A O no hydrogen 2.709 N/A SER 300.A OG LEU 152.A O no hydrogen 3.223 N/A SER 300.A OG THR 155.A O no hydrogen 3.203 N/A TYR 301.A OH ASN 122.A OD1 no hydrogen 2.662 N/A ASN 302.A N CYS 314.A O no hydrogen 3.008 N/A ASN 302.A ND2 VAL 265.A O no hydrogen 2.862 N/A ASN 302.A ND2 SER 267.A OG no hydrogen 2.926 N/A LEU 303.A N VAL 265.A O no hydrogen 2.816 N/A ILE 304.A N GLY 312.A O no hydrogen 2.638 N/A SER 305.A N SER 267.A O no hydrogen 2.796 N/A SER 305.A OG GLN 111.A OE1 no hydrogen 3.369 N/A PHE 306.A N ILE 310.A O no hydrogen 2.813 N/A ALA 307.A N SER 271.A O no hydrogen 2.949 N/A ASN 308.A ND2 PRO 273.A O no hydrogen 2.634 N/A GLY 309.A N PHE 306.A O no hydrogen 3.170 N/A GLY 312.A N ILE 304.A O no hydrogen 2.921 N/A MET 313.A N GLY 95.A O no hydrogen 2.768 N/A CYS 314.A N ASN 302.A O no hydrogen 3.026 N/A CYS 314.A SG ASN 92.A OD1 no hydrogen 3.581 N/A CYS 315.A N PHE 93.A O no hydrogen 2.887 N/A CYS 315.A SG TYR 320.A OH no hydrogen 3.894 N/A HIS 317.A ND1 HIS 317.A O no hydrogen 2.624 N/A ALA 318.A N ASP 316.A OD1 no hydrogen 3.149 N/A TYR 320.A OH SER 300.A O no hydrogen 2.599 N/A ASP 321.A N GLN 148.A OE1 no hydrogen 2.826 N/A VAL 326.A N ALA 322.A O no hydrogen 2.962 N/A ASN 327.A N MET 323.A O no hydrogen 3.027 N/A ASN 327.A ND2 MET 323.A O no hydrogen 2.650 N/A ILE 328.A N VAL 324.A O no hydrogen 3.095 N/A ALA 329.A N MET 325.A O no hydrogen 2.970 N/A HIS 330.A N VAL 326.A O no hydrogen 2.912 N/A TYR 331.A N ASN 327.A O no hydrogen 2.924 N/A VAL 332.A N ILE 328.A O no hydrogen 2.872 N/A ASP 333.A N ALA 329.A O no hydrogen 2.956 N/A GLU 334.A N HIS 330.A O no hydrogen 2.914 N/A ARG 335.A N TYR 331.A O no hydrogen 3.078 N/A ARG 335.A NE GLU 338.A OE1 no hydrogen 2.841 N/A ARG 335.A NH2 GLU 338.A OE1 no hydrogen 2.721 N/A VAL 336.A N VAL 332.A O no hydrogen 2.861 N/A LEU 337.A N ASP 333.A O no hydrogen 3.031 N/A GLU 338.A N GLU 334.A O no hydrogen 2.896 N/A THR 339.A N ARG 335.A O no hydrogen 2.948 N/A THR 339.A OG1 ARG 335.A O no hydrogen 2.932 N/A THR 339.A OG1 VAL 336.A O no hydrogen 3.317 N/A GLU 340.A N LEU 337.A O no hydrogen 3.349 N/A GLY 341.A N VAL 336.A O no hydrogen 2.773 N/A ARG 342.A N THR 339.A O no hydrogen 2.935 N/A TRP 343.A NE1 SER 346.A O no hydrogen 2.843 N/A LYS 348.A N SER 346.A OG no hydrogen 3.090 N/A ARG 350.A N GLU 206.A OE2 no hydrogen 3.011 N/A ARG 350.A NE GLU 206.A OE2 no hydrogen 2.656 N/A ARG 350.A NH1 HIS 197.A O no hydrogen 3.492 N/A ARG 350.A NH2 GLU 206.A OE1 no hydrogen 2.772 N/A ARG 350.A NH2 GLU 206.A OE2 no hydrogen 3.489 N/A GLU 356.A N VAL 192.A O no hydrogen 2.892 N/A LEU 358.A N ALA 190.A O no hydrogen 2.660 N/A THR 361.A N ASN 252.A OD1 no hydrogen 2.762 N/A THR 361.A OG1 ASP 249.A OD2 no hydrogen 2.749 N/A LYS 365.A NZ ASP 369.A OD1 no hydrogen 3.245 N/A LYS 365.A NZ ASP 369.A OD2 no hydrogen 2.865 N/A ILE 366.A N ASP 363.A OD1 no hydrogen 3.000 N/A LEU 367.A N ASP 363.A O no hydrogen 3.493 N/A ASN 368.A N GLU 364.A O no hydrogen 3.117 N/A ASP 369.A N LYS 365.A O no hydrogen 2.902 N/A VAL 370.A N ILE 366.A O no hydrogen 2.853 N/A SER 371.A N LEU 367.A O no hydrogen 2.926 N/A GLN 372.A N ASN 368.A O no hydrogen 2.857 N/A ALA 373.A N ASP 369.A O no hydrogen 2.671 N/A LYS 374.A N VAL 370.A O no hydrogen 2.935 N/A LYS 374.A NZ SER 226.A OG no hydrogen 3.341 N/A ALA 375.A N SER 371.A O no hydrogen 3.243 N/A GLN 376.A N GLN 372.A O no hydrogen 3.102 N/A GLN 376.A NE2 SER 232.A O no hydrogen 2.857 N/A GLN 376.A NE2 ALA 373.A O no hydrogen 2.875 N/A HIS 377.A N ALA 373.A O no hydrogen 3.181 N/A LEU 378.A N LYS 374.A O no hydrogen 2.986 N/A LYS 379.A N ALA 375.A O no hydrogen 2.905 N/A ALA 380.A N GLN 376.A O no hydrogen 2.978 N/A ALA 381.A N HIS 377.A O no hydrogen 2.727 N/A SER 382.A N LEU 378.A O no hydrogen 2.992 N/A SER 382.A OG LEU 378.A O no hydrogen 3.313 N/A SER 382.A OG LYS 379.A O no hydrogen 2.576 N/A ASP 383.A N ALA 380.A O no hydrogen 3.148 N/A LEU 384.A N ALA 381.A O no hydrogen 2.973 N/A GLN 385.A N SER 559.A O no hydrogen 2.953 N/A ALA 387.A N CYS 557.A O no hydrogen 2.832 N/A SER 389.A N VAL 555.A O no hydrogen 3.175 N/A PHE 391.A N PHE 553.A O no hydrogen 2.693 N/A THR 397.A OG1 ASN 470.A OD1 no hydrogen 2.724 N/A PHE 398.A N HIS 394.A O no hydrogen 2.924 N/A ILE 399.A N PRO 395.A O no hydrogen 2.898 N/A GLN 400.A N ASP 396.A O no hydrogen 2.843 N/A GLN 400.A NE2 THR 522.A OG1 no hydrogen 2.960 N/A GLN 400.A NE2 TYR 546.A OH no hydrogen 2.867 N/A LEU 401.A N THR 397.A O no hydrogen 2.959 N/A ALA 402.A N PHE 398.A O no hydrogen 2.991 N/A LEU 403.A N ILE 399.A O no hydrogen 3.021 N/A GLN 404.A N GLN 400.A O no hydrogen 3.093 N/A GLN 404.A NE2 GLY 415.A O no hydrogen 3.282 N/A LEU 405.A N LEU 401.A O no hydrogen 2.968 N/A ALA 406.A N ALA 402.A O no hydrogen 2.870 N/A TYR 407.A N LEU 403.A O no hydrogen 2.875 N/A TYR 408.A N GLN 404.A O no hydrogen 2.938 N/A ARG 409.A N LEU 405.A O no hydrogen 2.879 N/A ARG 409.A NH1 ASP 581.A OD2 no hydrogen 2.738 N/A ARG 409.A NH2 ASP 581.A OD2 no hydrogen 3.170 N/A LEU 410.A N ALA 406.A O no hydrogen 2.916 N/A HIS 411.A N TYR 407.A O no hydrogen 2.795 N/A HIS 411.A NE2 TYR 542.A OH no hydrogen 2.731 N/A CYS 416.A SG ARG 511.A O no hydrogen 4.006 N/A CYS 416.A SG ASN 517.A O no hydrogen 3.407 N/A CYS 417.A SG GLN 400.A OE1 no hydrogen 3.602 N/A CYS 417.A SG LEU 520.A O no hydrogen 3.927 N/A TYR 418.A N LEU 520.A O no hydrogen 2.828 N/A GLU 419.A N VAL 434.A O no hydrogen 2.898 N/A THR 420.A N THR 522.A O no hydrogen 3.064 N/A THR 420.A OG1 THR 522.A O no hydrogen 3.551 N/A ALA 421.A N GLU 432.A O no hydrogen 3.011 N/A THR 423.A N ARG 430.A O no hydrogen 3.031 N/A ARG 424.A NE ASP 145.A O no hydrogen 3.068 N/A ARG 424.A NH1 HIS 137.A ND1 no hydrogen 3.525 N/A ARG 424.A NH2 HIS 137.A ND1 no hydrogen 2.828 N/A ARG 424.A NH2 ASP 145.A O no hydrogen 3.166 N/A PHE 426.A N THR 423.A O no hydrogen 3.172 N/A TYR 427.A N PRO 11.A O no hydrogen 2.918 N/A HIS 428.A N ASP 145.A OD1 no hydrogen 2.756 N/A HIS 428.A ND1 GLU 72.A OE1 no hydrogen 2.946 N/A HIS 428.A ND1 GLU 72.A OE2 no hydrogen 2.688 N/A GLY 429.A N PHE 426.A O no hydrogen 2.878 N/A ARG 430.A NE ASP 321.A OD2 no hydrogen 3.132 N/A ARG 430.A NH1 ALA 318.A O no hydrogen 2.595 N/A ARG 430.A NH2 HIS 317.A O no hydrogen 2.893 N/A ARG 430.A NH2 ALA 318.A O no hydrogen 3.210 N/A ARG 430.A NH2 ASP 321.A OD1 no hydrogen 2.998 N/A GLU 432.A N ALA 421.A O no hydrogen 2.822 N/A THR 433.A N GLU 432.A OE2 no hydrogen 2.987 N/A VAL 434.A N GLU 419.A O no hydrogen 2.927 N/A ARG 435.A NE ASP 483.A OD1 no hydrogen 3.328 N/A ARG 435.A NE ASP 483.A OD2 no hydrogen 3.040 N/A ARG 435.A NH2 ASP 483.A OD1 no hydrogen 2.850 N/A SER 436.A OG GLN 400.A OE1 no hydrogen 2.563 N/A SER 436.A OG HIS 469.A NE2 no hydrogen 3.408 N/A CYS 437.A SG GLN 404.A OE1 no hydrogen 3.426 N/A THR 438.A N SER 436.A O no hydrogen 2.915 N/A THR 438.A OG1 GLU 440.A OE1 no hydrogen 3.405 N/A GLU 440.A N GLU 440.A OE1 no hydrogen 2.668 N/A ALA 441.A N THR 438.A OG1 no hydrogen 3.000 N/A VAL 442.A N THR 438.A O no hydrogen 3.068 N/A ARG 443.A N VAL 439.A O no hydrogen 2.836 N/A TRP 444.A N GLU 440.A O no hydrogen 3.023 N/A CYS 445.A N ALA 441.A O no hydrogen 2.958 N/A CYS 445.A SG ALA 441.A O no hydrogen 3.352 N/A GLN 446.A N VAL 442.A O no hydrogen 2.935 N/A SER 447.A N ARG 443.A O no hydrogen 3.158 N/A SER 447.A OG TRP 444.A O no hydrogen 2.672 N/A MET 448.A N TRP 444.A O no hydrogen 2.982 N/A MET 448.A N CYS 445.A O no hydrogen 3.174 N/A GLN 449.A N CYS 445.A O no hydrogen 3.291 N/A GLN 449.A N GLN 446.A O no hydrogen 3.020 N/A ASP 450.A N SER 447.A O no hydrogen 3.299 N/A SER 452.A N ASP 450.A OD1 no hydrogen 2.881 N/A SER 452.A OG ASP 450.A OD1 no hydrogen 2.619 N/A SER 452.A OG ASP 450.A OD2 no hydrogen 3.149 N/A ALA 453.A N ASP 450.A O no hydrogen 2.925 N/A GLU 457.A N SER 454.A OG no hydrogen 3.120 N/A ARG 458.A N SER 454.A O no hydrogen 3.194 N/A ARG 458.A NE SER 447.A O no hydrogen 2.910 N/A ARG 458.A NH2 ASP 450.A O no hydrogen 2.836 N/A GLN 459.A N LEU 455.A O no hydrogen 3.114 N/A GLN 460.A N LEU 456.A O no hydrogen 2.904 N/A LYS 461.A N GLU 457.A O no hydrogen 2.962 N/A LYS 461.A NZ GLU 457.A OE2 no hydrogen 3.108 N/A MET 462.A N ARG 458.A O no hydrogen 2.876 N/A LEU 463.A N GLN 459.A O no hydrogen 2.873 N/A GLU 464.A N GLN 460.A O no hydrogen 3.059 N/A ALA 465.A N LYS 461.A O no hydrogen 3.045 N/A PHE 466.A N MET 462.A O no hydrogen 2.985 N/A ALA 467.A N LEU 463.A O no hydrogen 2.897 N/A LYS 468.A N GLU 464.A O no hydrogen 3.049 N/A HIS 469.A N ALA 465.A O no hydrogen 2.999 N/A ASN 470.A N PHE 466.A O no hydrogen 2.919 N/A LYS 471.A N ALA 467.A O no hydrogen 3.150 N/A LYS 471.A NZ ASP 475.A OD1 no hydrogen 2.863 N/A MET 472.A N LYS 468.A O no hydrogen 2.967 N/A MET 473.A N HIS 469.A O no hydrogen 2.830 N/A LYS 474.A N ASN 470.A O no hydrogen 2.959 N/A ASP 475.A N LYS 471.A O no hydrogen 2.943 N/A CYS 476.A N MET 472.A O no hydrogen 2.931 N/A CYS 476.A SG THR 433.A O no hydrogen 3.400 N/A CYS 476.A SG MET 472.A O no hydrogen 3.342 N/A SER 477.A N MET 473.A O no hydrogen 2.973 N/A SER 477.A OG MET 473.A O no hydrogen 3.158 N/A SER 477.A OG LYS 474.A O no hydrogen 2.914 N/A SER 477.A OG HIS 478.A ND1 no hydrogen 3.004 N/A HIS 478.A N LYS 474.A O no hydrogen 2.974 N/A HIS 478.A ND1 SER 477.A OG no hydrogen 3.004 N/A GLY 479.A N CYS 476.A O no hydrogen 2.923 N/A LYS 480.A N ASP 475.A O no hydrogen 2.591 N/A ARG 484.A N GLU 432.A OE2 no hydrogen 3.102 N/A ARG 484.A NH1 THR 433.A OG1 no hydrogen 2.784 N/A ARG 484.A NH2 TYR 418.A OH no hydrogen 2.838 N/A ARG 484.A NH2 THR 431.A OG1 no hydrogen 3.039 N/A HIS 485.A ND1 SER 21.A OG no hydrogen 2.674 N/A HIS 485.A NE2 HIS 57.A ND1 no hydrogen 3.111 N/A LEU 486.A N PHE 482.A O no hydrogen 2.939 N/A LEU 487.A N ASP 483.A O no hydrogen 3.165 N/A GLY 488.A N ARG 484.A O no hydrogen 2.849 N/A LEU 489.A N HIS 485.A O no hydrogen 3.084 N/A LEU 490.A N LEU 486.A O no hydrogen 3.041 N/A LEU 491.A N LEU 487.A O no hydrogen 2.871 N/A ILE 492.A N GLY 488.A O no hydrogen 2.955 N/A ALA 493.A N LEU 489.A O no hydrogen 3.226 N/A LYS 494.A N LEU 490.A O no hydrogen 3.085 N/A GLU 495.A N LEU 491.A O no hydrogen 2.887 N/A GLU 496.A N ALA 493.A O no hydrogen 2.992 N/A GLY 497.A N LYS 494.A O no hydrogen 2.954 N/A LEU 498.A N ALA 493.A O no hydrogen 2.989 N/A PHE 504.A N PRO 501.A O no hydrogen 3.169 N/A GLU 505.A N GLU 502.A O no hydrogen 2.926 N/A ASP 506.A N GLU 502.A O no hydrogen 3.202 N/A LEU 508.A N ASP 506.A OD1 no hydrogen 2.990 N/A PHE 509.A N ASP 506.A O no hydrogen 3.043 N/A SER 510.A OG PRO 507.A O no hydrogen 3.368 N/A ARG 511.A N PRO 507.A O no hydrogen 3.116 N/A ARG 511.A NH1 PHE 32.A O no hydrogen 2.777 N/A ARG 511.A NH1 GLU 37.A OE1 no hydrogen 3.012 N/A ARG 511.A NH1 GLU 37.A OE2 no hydrogen 2.885 N/A ARG 511.A NH2 GLU 37.A OE2 no hydrogen 3.117 N/A SER 512.A N LEU 508.A O no hydrogen 3.035 N/A SER 512.A OG LEU 508.A O no hydrogen 3.034 N/A SER 512.A OG PHE 509.A O no hydrogen 3.207 N/A GLY 513.A N SER 510.A O no hydrogen 2.942 N/A ASN 517.A N GLY 513.A O no hydrogen 2.821 N/A ASN 517.A ND2 GLY 514.A O no hydrogen 2.762 N/A LEU 520.A N CYS 416.A O no hydrogen 3.248 N/A SER 521.A N TYR 542.A O no hydrogen 2.971 N/A THR 522.A N TYR 418.A O no hydrogen 2.736 N/A THR 522.A OG1 TYR 418.A O no hydrogen 2.859 N/A SER 523.A OG LEU 524.A O no hydrogen 3.104 N/A VAL 525.A N TYR 546.A O no hydrogen 2.722 N/A ARG 529.A NE ASP 333.A OD2 no hydrogen 3.285 N/A ARG 529.A NH2 ASP 333.A OD2 no hydrogen 2.851 N/A GLN 531.A NE2 GLY 532.A O no hydrogen 2.959 N/A VAL 533.A N VAL 94.A O no hydrogen 3.009 N/A GLY 541.A N VAL 538.A O no hydrogen 2.736 N/A TYR 542.A N VAL 519.A O no hydrogen 2.676 N/A TYR 542.A OH HIS 411.A NE2 no hydrogen 2.731 N/A GLY 543.A N SER 558.A O no hydrogen 2.881 N/A PHE 544.A N SER 521.A O no hydrogen 2.814 N/A PHE 545.A N ALA 556.A O no hydrogen 2.857 N/A TYR 546.A N SER 523.A O no hydrogen 3.386 N/A TYR 546.A OH ASP 396.A OD1 no hydrogen 2.543 N/A HIS 547.A N VAL 554.A O no hydrogen 3.007 N/A ILE 548.A N GLY 526.A O no hydrogen 3.056 N/A ARG 549.A N ARG 552.A O no hydrogen 2.982 N/A ARG 549.A NH1 GLU 101.A OE1 no hydrogen 2.891 N/A ARG 549.A NH1 GLU 101.A OE2 no hydrogen 3.407 N/A ARG 549.A NH2 GLU 101.A OE2 no hydrogen 2.864 N/A ARG 552.A N ARG 549.A O no hydrogen 3.331 N/A PHE 553.A N PHE 391.A O no hydrogen 2.874 N/A VAL 554.A N HIS 547.A O no hydrogen 3.083 N/A VAL 555.A N SER 389.A O no hydrogen 2.917 N/A ALA 556.A N PHE 545.A O no hydrogen 2.853 N/A CYS 557.A N ALA 387.A O no hydrogen 2.764 N/A CYS 557.A SG GLY 543.A O no hydrogen 3.432 N/A CYS 557.A SG SER 558.A O no hydrogen 4.041 N/A CYS 557.A SG ALA 568.A O no hydrogen 4.002 N/A SER 558.A N GLY 543.A O no hydrogen 2.782 N/A SER 558.A OG VAL 534.A O no hydrogen 2.826 N/A SER 559.A N GLN 385.A O no hydrogen 3.076 N/A ARG 561.A N ASP 383.A O no hydrogen 2.882 N/A SER 562.A N ASP 383.A OD1 no hydrogen 2.660 N/A SER 562.A OG ASP 383.A OD1 no hydrogen 3.383 N/A SER 562.A OG ASP 383.A OD2 no hydrogen 2.542 N/A CYS 563.A N TRP 560.A O no hydrogen 2.984 N/A CYS 563.A SG GLU 565.A OE1 no hydrogen 3.710 N/A THR 566.A N CYS 563.A O no hydrogen 3.293 N/A THR 566.A OG1 CYS 563.A O no hydrogen 3.316 N/A ASP 567.A N TYR 542.A OH no hydrogen 3.027 N/A ALA 568.A N GLN 385.A OE1 no hydrogen 2.814 N/A ALA 568.A N SER 559.A OG no hydrogen 3.069 N/A LYS 570.A N ASP 567.A OD1 no hydrogen 2.717 N/A LEU 571.A N ASP 567.A O no hydrogen 3.008 N/A VAL 572.A N ALA 568.A O no hydrogen 3.035 N/A GLN 573.A N GLU 569.A O no hydrogen 3.004 N/A MET 574.A N LYS 570.A O no hydrogen 2.935 N/A ILE 575.A N LEU 571.A O no hydrogen 2.928 N/A PHE 576.A N VAL 572.A O no hydrogen 3.082 N/A HIS 577.A N GLN 573.A O no hydrogen 3.078 N/A ALA 578.A N MET 574.A O no hydrogen 2.878 N/A PHE 579.A N ILE 575.A O no hydrogen 2.709 N/A HIS 580.A N PHE 576.A O no hydrogen 3.104 N/A ASP 581.A N HIS 577.A O no hydrogen 3.083 N/A MET 582.A N ALA 578.A O no hydrogen 3.015 N/A ILE 583.A N PHE 579.A O no hydrogen 2.931 N/A GLN 584.A N HIS 580.A O no hydrogen 2.885 N/A LEU 585.A N ASP 581.A O no hydrogen 2.864 N/A MET 586.A N MET 582.A O no hydrogen 3.167 N/A ASN 587.A N ILE 583.A O no hydrogen 2.863 N/A THR 588.A N GLN 584.A O no hydrogen 2.745 N/A THR 588.A OG1 GLN 584.A O no hydrogen 2.780 N/A ALA 589.A N LEU 585.A O no hydrogen 3.126 N/A HIS 590.A N MET 586.A O no hydrogen 2.803 N/A LEU 591.A N ASN 587.A O no hydrogen 3.395 N/A