Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4fix_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N MET 1.A O no hydrogen 3.343 N/A ALA 6.A N SER 2.A O no hydrogen 3.145 N/A SER 7.A N LEU 4.A O no hydrogen 3.139 N/A SER 7.A OG GLU 3.A O no hydrogen 2.784 N/A SER 7.A OG LEU 4.A O no hydrogen 3.292 N/A LEU 9.A N TRP 150.A O no hydrogen 2.784 N/A SER 10.A N TRP 150.A O no hydrogen 3.302 N/A ARG 11.A N ASP 264.A OD2 no hydrogen 3.023 N/A ARG 11.A NE ASP 264.A OD1 no hydrogen 2.948 N/A ARG 11.A NH1 ASP 185.A OD2 no hydrogen 3.415 N/A ARG 11.A NH2 ASP 185.A OD2 no hydrogen 2.656 N/A ARG 11.A NH2 ASP 264.A OD1 no hydrogen 3.094 N/A VAL 12.A N GLY 148.A O no hydrogen 2.833 N/A ILE 13.A N ASN 61.A OD1 no hydrogen 2.749 N/A LEU 14.A N ARG 43.A O no hydrogen 2.799 N/A ARG 16.A N GLU 19.A OE1 no hydrogen 3.372 N/A GLU 19.A N ARG 16.A O no hydrogen 3.205 N/A VAL 23.A N PRO 20.A O no hydrogen 3.072 N/A ARG 24.A N PRO 20.A O no hydrogen 3.266 N/A ARG 24.A NE GLU 19.A O no hydrogen 2.757 N/A ARG 24.A NH2 GLU 19.A O no hydrogen 3.098 N/A LYS 25.A N ASP 22.A O no hydrogen 3.203 N/A LYS 25.A NZ GLU 29.A OE2 no hydrogen 3.270 N/A LEU 26.A N VAL 23.A O no hydrogen 2.949 N/A TYR 27.A N ARG 24.A O no hydrogen 2.976 N/A TYR 27.A OH GLU 262.A OE1 no hydrogen 2.613 N/A LEU 28.A N ARG 24.A O no hydrogen 2.984 N/A GLU 29.A N SER 55.A O no hydrogen 2.915 N/A SER 31.A N GLU 53.A O no hydrogen 3.318 N/A SER 31.A OG THR 33.A OG1 no hydrogen 2.826 N/A THR 33.A N SER 31.A OG no hydrogen 3.038 N/A THR 33.A OG1 SER 31.A OG no hydrogen 2.826 N/A ASN 34.A N SER 31.A O no hydrogen 3.106 N/A ASN 34.A ND2 GLU 53.A O no hydrogen 2.995 N/A ALA 38.A N GLU 30.A OE1 no hydrogen 2.696 N/A HIS 39.A N GLN 47.A O no hydrogen 2.894 N/A HIS 39.A ND1 GLN 47.A OE1 no hydrogen 3.294 N/A THR 42.A OG1 SER 45.A OG no hydrogen 2.891 N/A ARG 43.A NH1 LEU 14.A O no hydrogen 2.841 N/A ARG 43.A NH1 GLU 262.A OE1 no hydrogen 3.502 N/A ARG 43.A NH2 GLU 262.A OE1 no hydrogen 3.413 N/A ARG 43.A NH2 GLU 262.A OE2 no hydrogen 2.565 N/A THR 44.A N THR 42.A OG1 no hydrogen 3.167 N/A SER 45.A N THR 42.A O no hydrogen 3.505 N/A SER 45.A OG THR 42.A OG1 no hydrogen 2.891 N/A LEU 46.A N LEU 145.A O no hydrogen 2.913 N/A GLN 47.A N HIS 39.A O no hydrogen 2.626 N/A ILE 48.A N VAL 143.A O no hydrogen 2.781 N/A GLU 51.A N ASP 140.A O no hydrogen 3.078 N/A SER 52.A N THR 139.A OG1 no hydrogen 2.775 N/A SER 52.A OG GLY 49.A O no hydrogen 3.213 N/A SER 52.A OG ALA 50.A O no hydrogen 2.698 N/A GLU 53.A N ASN 34.A OD1 no hydrogen 2.976 N/A VAL 54.A N ILE 137.A O no hydrogen 2.867 N/A SER 55.A N GLU 29.A O no hydrogen 2.851 N/A SER 55.A OG ASP 136.A OD1 no hydrogen 2.827 N/A PHE 56.A N PHE 135.A O no hydrogen 2.832 N/A ALA 57.A N SER 55.A OG no hydrogen 3.333 N/A THR 58.A OG1 LEU 26.A O no hydrogen 3.433 N/A THR 58.A OG1 TYR 27.A O no hydrogen 2.776 N/A TYR 59.A OH GLN 285.A OE1 no hydrogen 2.585 N/A PHE 60.A N LEU 26.A O no hydrogen 2.783 N/A ASN 61.A N THR 58.A O no hydrogen 3.332 N/A ASN 61.A N THR 58.A OG1 no hydrogen 3.330 N/A ASN 61.A ND2 ILE 13.A O no hydrogen 2.776 N/A ASN 61.A ND2 TYR 27.A O no hydrogen 2.638 N/A ALA 62.A N THR 58.A O no hydrogen 3.081 N/A PHE 63.A N VAL 133.A O no hydrogen 2.662 N/A SER 66.A N GLY 131.A O no hydrogen 3.430 N/A TYR 67.A N PRO 64.A O no hydrogen 3.070 N/A ARG 69.A N ALA 65.A O no hydrogen 2.964 N/A ARG 69.A NE LEU 124.A O no hydrogen 3.043 N/A ARG 69.A NE GLN 125.A O no hydrogen 2.856 N/A ARG 69.A NH2 GLN 125.A O no hydrogen 2.911 N/A ARG 70.A N SER 66.A O no hydrogen 3.016 N/A ARG 70.A NH1 ARG 70.A O no hydrogen 3.011 N/A TRP 71.A N TYR 67.A O no hydrogen 3.018 N/A THR 72.A N TRP 68.A O no hydrogen 3.077 N/A THR 72.A OG1 TRP 68.A O no hydrogen 2.564 N/A THR 73.A N PHE 275.A O no hydrogen 2.914 N/A THR 73.A OG1 PHE 275.A O no hydrogen 3.373 N/A CYS 74.A N THR 72.A OG1 no hydrogen 3.408 N/A CYS 74.A SG THR 72.A OG1 no hydrogen 3.637 N/A SER 76.A OG GLU 121.A OE2 no hydrogen 2.872 N/A VAL 77.A N VAL 122.A O no hydrogen 2.929 N/A VAL 78.A N TYR 151.A O no hydrogen 2.716 N/A LEU 79.A N THR 120.A O no hydrogen 2.823 N/A ARG 80.A N GLY 149.A O no hydrogen 2.920 N/A ARG 80.A NE GLU 119.A OE2 no hydrogen 2.694 N/A VAL 81.A N VAL 118.A O no hydrogen 2.912 N/A GLN 82.A N SER 147.A O no hydrogen 2.949 N/A VAL 83.A N ALA 116.A O no hydrogen 2.840 N/A THR 84.A N THR 144.A O no hydrogen 2.987 N/A GLY 85.A N GLY 110.A O no hydrogen 2.745 N/A ALA 86.A N THR 141.A OG1 no hydrogen 2.804 N/A GLY 87.A N PHE 108.A O no hydrogen 3.200 N/A ARG 88.A N THR 138.A O no hydrogen 2.847 N/A ARG 88.A NE ASP 107.A OD2 no hydrogen 2.889 N/A VAL 89.A N HIS 106.A O no hydrogen 2.937 N/A ASP 90.A N ASP 136.A O no hydrogen 2.903 N/A VAL 91.A N GLU 104.A O no hydrogen 2.912 N/A TYR 92.A N TRP 134.A O no hydrogen 2.766 N/A ARG 93.A N ILE 101.A O no hydrogen 3.015 N/A THR 94.A N TRP 132.A O no hydrogen 2.969 N/A THR 94.A OG1 HIS 337.A ND1 no hydrogen 2.756 N/A LYS 95.A N ALA 99.A O no hydrogen 3.003 N/A GLY 98.A N LYS 95.A O no hydrogen 2.839 N/A ALA 99.A N THR 97.A OG1 no hydrogen 3.249 N/A ILE 101.A N ARG 93.A O no hydrogen 2.762 N/A VAL 103.A N VAL 91.A O no hydrogen 2.931 N/A GLU 104.A N VAL 91.A O no hydrogen 3.425 N/A HIS 106.A N VAL 89.A O no hydrogen 2.889 N/A HIS 106.A NE2 GLU 104.A OE1 no hydrogen 2.760 N/A PHE 108.A N GLY 87.A O no hydrogen 2.877 N/A GLY 110.A N GLY 85.A O no hydrogen 2.889 N/A THR 111.A N GLN 114.A O no hydrogen 3.003 N/A GLN 114.A N THR 111.A OG1 no hydrogen 3.033 N/A GLN 114.A NE2 ASP 113.A OD1 no hydrogen 3.265 N/A ALA 116.A N VAL 83.A O no hydrogen 2.755 N/A VAL 118.A N VAL 81.A O no hydrogen 2.886 N/A THR 120.A N LEU 79.A O no hydrogen 2.974 N/A VAL 122.A N VAL 77.A O no hydrogen 2.723 N/A LEU 124.A N LYS 75.A O no hydrogen 2.845 N/A TRP 132.A N THR 94.A OG1 no hydrogen 2.821 N/A TRP 132.A NE1 LEU 336.A O no hydrogen 2.887 N/A VAL 133.A N PHE 63.A O no hydrogen 2.892 N/A TRP 134.A N TYR 92.A O no hydrogen 2.912 N/A ASP 136.A N ASP 90.A O no hydrogen 2.816 N/A ILE 137.A N VAL 54.A O no hydrogen 2.794 N/A THR 138.A N ARG 88.A O no hydrogen 3.071 N/A THR 138.A OG1 GLU 53.A OE1 no hydrogen 2.875 N/A THR 139.A N SER 52.A O no hydrogen 2.804 N/A THR 139.A OG1 GLY 49.A O no hydrogen 2.794 N/A THR 139.A OG1 SER 52.A O no hydrogen 3.255 N/A ASP 140.A N ALA 86.A O no hydrogen 2.754 N/A THR 141.A N ALA 86.A O no hydrogen 3.068 N/A VAL 143.A N ILE 48.A O no hydrogen 2.936 N/A THR 144.A N THR 84.A O no hydrogen 3.268 N/A LEU 145.A N LEU 46.A O no hydrogen 2.807 N/A HIS 146.A N GLN 82.A O no hydrogen 2.829 N/A GLY 149.A N ARG 80.A O no hydrogen 2.861 N/A TRP 150.A N SER 10.A O no hydrogen 2.840 N/A TRP 150.A NE1 ASN 61.A O no hydrogen 2.941 N/A TYR 151.A N VAL 78.A O no hydrogen 2.726 N/A ALA 152.A N SER 7.A O no hydrogen 2.795 N/A ALA 156.A N ALA 6.A O no hydrogen 2.936 N/A ASN 161.A N GLN 251.A OE1 no hydrogen 2.965 N/A ASN 161.A ND2 ASP 248.A OD1 no hydrogen 3.422 N/A ILE 162.A N VAL 191.A O no hydrogen 2.833 N/A ALA 163.A N GLN 251.A O no hydrogen 2.932 N/A VAL 164.A N ALA 194.A O no hydrogen 2.792 N/A GLY 165.A N LEU 253.A O no hydrogen 2.903 N/A ILE 166.A N ILE 196.A O no hydrogen 2.948 N/A THR 168.A N PRO 198.A O no hydrogen 3.079 N/A THR 168.A OG1 ASP 257.A OD2 no hydrogen 2.831 N/A CYS 175.A N ARG 171.A O no hydrogen 2.935 N/A VAL 176.A N PRO 172.A O no hydrogen 2.865 N/A ASN 177.A N ALA 173.A O no hydrogen 3.099 N/A ASN 177.A ND2 GLU 181.A OE2 no hydrogen 2.721 N/A ASN 177.A ND2 ILE 259.A O no hydrogen 3.699 N/A ALA 178.A N ASP 174.A O no hydrogen 2.946 N/A LEU 179.A N CYS 175.A O no hydrogen 2.986 N/A ARG 180.A N VAL 176.A O no hydrogen 3.013 N/A ARG 180.A NH2 ASN 177.A OD1 no hydrogen 3.211 N/A GLU 181.A N ASN 177.A O no hydrogen 2.943 N/A LEU 182.A N ALA 178.A O no hydrogen 3.178 N/A THR 183.A N ARG 180.A O no hydrogen 3.251 N/A THR 183.A OG1 ARG 180.A O no hydrogen 3.160 N/A ALA 184.A N GLU 181.A O no hydrogen 3.368 N/A LEU 187.A N ASP 185.A OD1 no hydrogen 3.015 N/A VAL 188.A N ASP 185.A O no hydrogen 2.957 N/A ASP 189.A N ASP 185.A O no hydrogen 2.951 N/A GLN 190.A N PRO 186.A O no hydrogen 3.014 N/A VAL 191.A N VAL 188.A O no hydrogen 3.139 N/A ILE 192.A N ASP 189.A O no hydrogen 3.137 N/A GLY 193.A N ILE 162.A O no hydrogen 2.718 N/A ALA 194.A N ILE 162.A O no hydrogen 3.151 N/A VAL 195.A N ARG 221.A O no hydrogen 2.876 N/A ILE 196.A N VAL 164.A O no hydrogen 2.795 N/A VAL 197.A N SER 223.A O no hydrogen 2.902 N/A ASP 199.A N HIS 225.A O no hydrogen 2.920 N/A GLN 200.A N THR 168.A O no hydrogen 2.915 N/A GLN 200.A NE2 GLY 231.A O no hydrogen 2.950 N/A GLY 201.A N ASP 199.A OD1 no hydrogen 3.460 N/A GLU 202.A N ASN 170.A OD1 no hydrogen 2.900 N/A ARG 203.A N ASN 170.A OD1 no hydrogen 3.193 N/A LYS 204.A NZ GLY 201.A O no hydrogen 2.643 N/A LYS 204.A NZ ASP 226.A OD1 no hydrogen 3.407 N/A VAL 205.A N ASP 199.A OD2 no hydrogen 3.071 N/A ASP 207.A N LYS 204.A O no hydrogen 3.257 N/A HIS 208.A N VAL 205.A O no hydrogen 3.197 N/A ASP 210.A N HIS 208.A ND1 no hydrogen 3.163 N/A PHE 211.A N HIS 208.A O no hydrogen 3.060 N/A ALA 214.A N ASP 210.A O no hydrogen 3.386 N/A ALA 215.A N PHE 211.A O no hydrogen 2.733 N/A ALA 216.A N PRO 212.A O no hydrogen 2.945 N/A ARG 217.A NE THR 183.A OG1 no hydrogen 2.908 N/A ARG 217.A NH2 THR 183.A O no hydrogen 2.849 N/A LEU 218.A N ALA 215.A O no hydrogen 3.337 N/A GLY 219.A N ALA 215.A O no hydrogen 3.007 N/A ARG 221.A N LEU 218.A O no hydrogen 3.359 N/A ARG 221.A NE LEU 218.A O no hydrogen 3.101 N/A ARG 221.A NH1 ASP 189.A O no hydrogen 2.932 N/A ARG 221.A NH1 ASP 189.A OD1 no hydrogen 3.177 N/A ARG 221.A NH1 ILE 192.A O no hydrogen 2.854 N/A ARG 221.A NH2 ASP 189.A OD1 no hydrogen 2.658 N/A ARG 221.A NH2 ARG 217.A O no hydrogen 3.183 N/A LEU 222.A N GLY 219.A O no hydrogen 3.499 N/A SER 223.A N VAL 195.A O no hydrogen 2.976 N/A SER 223.A OG HIS 225.A NE2 no hydrogen 3.116 N/A HIS 225.A N VAL 197.A O no hydrogen 2.919 N/A HIS 225.A NE2 SER 223.A OG no hydrogen 3.116 N/A GLN 227.A N ASP 199.A O no hydrogen 3.404 N/A GLN 227.A NE2 GLN 200.A OE1 no hydrogen 2.846 N/A GLN 227.A NE2 GLY 234.A O no hydrogen 3.307 N/A LEU 230.A N GLN 200.A OE1 no hydrogen 3.002 N/A GLY 231.A N ASN 229.A OD1 no hydrogen 3.148 N/A SER 233.A N PHE 367.A O no hydrogen 3.337 N/A SER 233.A OG LEU 364.A O no hydrogen 3.390 N/A SER 233.A OG LEU 366.A O no hydrogen 2.203 N/A SER 233.A OG ASP 371.A OD2 no hydrogen 2.856 N/A GLY 234.A N LEU 230.A O no hydrogen 2.921 N/A GLY 235.A N GLY 231.A O no hydrogen 3.098 N/A TYR 236.A N GLY 232.A O no hydrogen 2.864 N/A TYR 236.A OH MET 255.A O no hydrogen 2.524 N/A SER 237.A N SER 233.A O no hydrogen 2.685 N/A ARG 238.A N GLY 234.A O no hydrogen 2.859 N/A ARG 238.A NE GLU 242.A OE2 no hydrogen 2.730 N/A ARG 238.A NH1 GLN 227.A OE1 no hydrogen 2.921 N/A ARG 238.A NH2 GLU 242.A OE2 no hydrogen 3.239 N/A VAL 239.A N GLY 235.A O no hydrogen 3.035 N/A MET 240.A N TYR 236.A O no hydrogen 2.986 N/A TYR 241.A N SER 237.A O no hydrogen 2.822 N/A TYR 241.A OH GLU 623.A OE2 no hydrogen 2.841 N/A GLU 242.A N ARG 238.A O no hydrogen 2.783 N/A ALA 243.A N VAL 239.A O no hydrogen 2.950 N/A LEU 244.A N MET 240.A O no hydrogen 3.148 N/A LYS 245.A N TYR 241.A O no hydrogen 3.186 N/A LYS 245.A NZ ASN 246.A OD1 no hydrogen 3.236 N/A ASN 246.A N GLU 242.A O no hydrogen 2.846 N/A ASN 246.A ND2 GLU 242.A OE1 no hydrogen 2.760 N/A THR 247.A OG1 ALA 243.A O no hydrogen 2.571 N/A CYS 249.A N THR 247.A OG1 no hydrogen 3.408 N/A CYS 249.A SG ASN 161.A OD1 no hydrogen 3.598 N/A CYS 249.A SG THR 247.A OG1 no hydrogen 3.740 N/A GLN 250.A N ASN 161.A O no hydrogen 2.941 N/A GLN 250.A NE2 ASP 248.A O no hydrogen 2.850 N/A GLN 251.A N ASN 161.A O no hydrogen 3.383 N/A GLN 251.A NE2 THR 159.A O no hydrogen 3.025 N/A ILE 252.A N ILE 352.A O no hydrogen 2.758 N/A LEU 253.A N ALA 163.A O no hydrogen 2.859 N/A PHE 254.A N CYS 350.A O no hydrogen 2.926 N/A MET 255.A N GLY 165.A O no hydrogen 2.857 N/A ASP 257.A N ASP 256.A OD1 no hydrogen 2.797 N/A ASP 258.A N ASP 258.A OD1 no hydrogen 2.632 N/A ARG 260.A N TRP 395.A O no hydrogen 3.010 N/A LEU 261.A N GLU 181.A OE1 no hydrogen 2.723 N/A SER 265.A N GLU 262.A O no hydrogen 2.721 N/A SER 265.A OG GLU 262.A O no hydrogen 3.082 N/A SER 265.A OG ALA 393.A O no hydrogen 2.728 N/A ILE 266.A N PRO 263.A O no hydrogen 2.947 N/A ARG 268.A N ASP 264.A O no hydrogen 2.988 N/A ARG 268.A NE ASP 264.A OD2 no hydrogen 2.799 N/A ARG 268.A NH1 PHE 60.A O no hydrogen 2.879 N/A ARG 268.A NH2 PHE 60.A O no hydrogen 2.797 N/A ARG 268.A NH2 ASP 264.A OD2 no hydrogen 3.271 N/A VAL 269.A N SER 265.A O no hydrogen 3.136 N/A LEU 270.A N ILE 266.A O no hydrogen 2.855 N/A ALA 271.A N LEU 267.A O no hydrogen 2.764 N/A MET 272.A N ARG 268.A O no hydrogen 3.013 N/A HIS 273.A N VAL 269.A O no hydrogen 2.997 N/A ARG 274.A N LEU 270.A O no hydrogen 2.895 N/A ARG 274.A NE PRO 157.A O no hydrogen 2.854 N/A ARG 274.A NH2 PRO 157.A O no hydrogen 3.519 N/A ARG 274.A NH2 GLY 158.A O no hydrogen 3.066 N/A PHE 275.A N ALA 271.A O no hydrogen 2.964 N/A LYS 277.A N TRP 71.A O no hydrogen 2.896 N/A LYS 277.A NZ ARG 69.A O no hydrogen 3.363 N/A LYS 277.A NZ ARG 70.A O no hydrogen 2.984 N/A LEU 281.A N PRO 385.A O no hydrogen 2.890 N/A VAL 282.A N MET 351.A O no hydrogen 3.056 N/A GLY 283.A N VAL 387.A O no hydrogen 2.714 N/A GLY 284.A N THR 349.A O no hydrogen 3.025 N/A GLN 285.A N ALA 392.A O no hydrogen 2.721 N/A GLN 285.A NE2 MET 298.A O no hydrogen 2.958 N/A LEU 287.A N ILE 394.A O no hydrogen 2.842 N/A ASN 288.A N HIS 294.A O no hydrogen 2.889 N/A LEU 289.A N HIS 396.A O no hydrogen 2.845 N/A GLN 290.A N ASN 288.A OD1 no hydrogen 2.897 N/A GLU 291.A N ASN 288.A O no hydrogen 2.952 N/A SER 293.A OG ASP 320.A OD1 no hydrogen 2.687 N/A HIS 294.A N GLU 291.A O no hydrogen 2.828 N/A HIS 294.A ND1 ASP 318.A OD1 no hydrogen 2.603 N/A LEU 295.A N HIS 319.A O no hydrogen 2.787 N/A HIS 296.A N MET 286.A O no hydrogen 2.904 N/A VAL 301.A N THR 310.A O no hydrogen 3.024 N/A VAL 302.A N ASP 343.A OD2 no hydrogen 2.734 N/A ASP 303.A N MET 308.A O no hydrogen 2.888 N/A SER 305.A N ASP 303.A OD1 no hydrogen 3.501 N/A SER 305.A OG ASP 303.A OD1 no hydrogen 2.954 N/A MET 308.A N ASP 303.A O no hydrogen 3.169 N/A THR 310.A N VAL 301.A O no hydrogen 3.013 N/A THR 310.A OG1 ALA 311.A O no hydrogen 3.193 N/A ALA 312.A N GLY 299.A O no hydrogen 2.990 N/A ALA 315.A N ALA 312.A O no hydrogen 3.036 N/A TYR 317.A OH GLU 300.A OE2 no hydrogen 2.785 N/A ASP 318.A N HIS 296.A O no hydrogen 2.871 N/A HIS 319.A N LEU 295.A O no hydrogen 2.847 N/A HIS 319.A NE2 TYR 324.A O no hydrogen 2.779 N/A PHE 321.A N SER 293.A O no hydrogen 3.059 N/A ALA 322.A N ASP 320.A OD1 no hydrogen 3.012 N/A GLU 323.A N ASP 320.A O no hydrogen 3.236 N/A TYR 324.A N ASP 320.A O no hydrogen 2.746 N/A ASN 330.A N ASP 328.A OD2 no hydrogen 3.367 N/A ASN 330.A ND2 ASP 328.A OD2 no hydrogen 2.730 N/A ASN 330.A ND2 SER 333.A OG no hydrogen 2.941 N/A ARG 332.A NH2 TYR 317.A O no hydrogen 3.125 N/A SER 333.A N ASN 330.A OD1 no hydrogen 2.906 N/A SER 333.A OG PRO 325.A O no hydrogen 2.529 N/A LYS 334.A N ASN 330.A O no hydrogen 3.263 N/A LEU 336.A N SER 333.A O no hydrogen 3.152 N/A HIS 337.A N LYS 334.A O no hydrogen 3.044 N/A HIS 337.A ND1 THR 94.A OG1 no hydrogen 2.756 N/A HIS 337.A NE2 LEU 326.A O no hydrogen 2.871 N/A ARG 338.A N LEU 335.A O no hydrogen 3.345 N/A ARG 339.A N ASP 129.A O no hydrogen 3.113 N/A ARG 339.A NH1 ASP 341.A OD1 no hydrogen 2.730 N/A ARG 339.A NH2 GLU 128.A O no hydrogen 2.997 N/A ILE 340.A N TYR 67.A OH no hydrogen 2.754 N/A ASP 343.A N GLU 300.A O no hydrogen 3.132 N/A ASN 345.A ND2 GLY 284.A O no hydrogen 3.038 N/A ASN 345.A ND2 GLY 346.A O no hydrogen 3.088 N/A THR 349.A OG1 TRP 348.A O no hydrogen 2.584 N/A CYS 350.A N PHE 254.A O no hydrogen 3.171 N/A MET 351.A N VAL 282.A O no hydrogen 2.770 N/A ILE 352.A N ILE 252.A O no hydrogen 2.696 N/A ARG 354.A N GLN 250.A O no hydrogen 2.931 N/A ARG 354.A NH1 ALA 243.A O no hydrogen 3.196 N/A ARG 354.A NH1 THR 247.A O no hydrogen 3.099 N/A ARG 354.A NH1 CYS 249.A O no hydrogen 3.037 N/A ARG 354.A NH2 THR 247.A O no hydrogen 3.085 N/A ALA 357.A N PRO 353.A O no hydrogen 3.115 N/A GLU 358.A N ARG 354.A O no hydrogen 3.100 N/A GLU 359.A N GLN 355.A O no hydrogen 3.004 N/A LEU 360.A N VAL 356.A O no hydrogen 2.920 N/A GLY 361.A N ALA 357.A O no hydrogen 3.053 N/A GLN 362.A N SER 617.A O no hydrogen 2.746 N/A GLN 362.A NE2 SER 237.A O no hydrogen 2.736 N/A GLN 362.A NE2 SER 237.A OG no hydrogen 2.981 N/A LEU 366.A N LEU 364.A O no hydrogen 2.823 N/A LYS 369.A NZ GLN 409.A OE1 no hydrogen 3.219 N/A ASP 372.A N ASP 371.A OD1 no hydrogen 2.923 N/A ASP 374.A N TRP 370.A O no hydrogen 2.901 N/A TYR 375.A N ASP 371.A O no hydrogen 3.140 N/A TYR 375.A OH GLY 361.A O no hydrogen 2.883 N/A GLY 376.A N ASP 372.A O no hydrogen 3.070 N/A LEU 377.A N ALA 373.A O no hydrogen 2.913 N/A ARG 378.A N ASP 374.A O no hydrogen 2.795 N/A ARG 378.A NH1 LEU 360.A O no hydrogen 2.873 N/A ARG 378.A NH1 GLN 362.A O no hydrogen 2.797 N/A ARG 378.A NH2 GLN 362.A O no hydrogen 3.094 N/A ARG 378.A NH2 ASP 374.A OD2 no hydrogen 2.881 N/A ALA 379.A N TYR 375.A O no hydrogen 3.075 N/A ALA 380.A N GLY 376.A O no hydrogen 3.077 N/A GLU 381.A N LEU 377.A O no hydrogen 3.115 N/A HIS 382.A N ALA 379.A O no hydrogen 3.054 N/A HIS 382.A ND1 GLU 359.A OE2 no hydrogen 2.994 N/A GLY 383.A N ALA 380.A O no hydrogen 2.932 N/A TYR 384.A N ALA 379.A O no hydrogen 2.809 N/A TYR 384.A OH GLU 359.A OE1 no hydrogen 2.550 N/A VAL 387.A N LEU 281.A O no hydrogen 2.942 N/A THR 388.A OG1 ASN 345.A OD1 no hydrogen 2.519 N/A LEU 389.A N GLY 283.A O no hydrogen 2.831 N/A ALA 392.A N LEU 389.A O no hydrogen 3.386 N/A ALA 393.A N SER 265.A OG no hydrogen 2.891 N/A ILE 394.A N GLN 285.A O no hydrogen 3.217 N/A TRP 395.A N ARG 260.A O no hydrogen 2.698 N/A TRP 395.A NE1 PRO 292.A O no hydrogen 2.865 N/A HIS 396.A N LEU 287.A O no hydrogen 2.983 N/A HIS 396.A ND1 MET 397.A O no hydrogen 2.660 N/A HIS 396.A NE2 ASP 256.A OD2 no hydrogen 2.670 N/A SER 400.A OG GLU 291.A OE1 no hydrogen 3.274 N/A SER 400.A OG ASP 401.A OD1 no hydrogen 3.107 N/A LYS 402.A N SER 400.A O no hydrogen 2.798 N/A LYS 402.A NZ ASP 570.A O no hydrogen 2.750 N/A GLN 409.A N ASP 407.A OD1 no hydrogen 3.248 N/A ALA 410.A N ASP 407.A O no hydrogen 3.004 N/A TYR 411.A OH ASP 464.A OD2 no hydrogen 2.598 N/A HIS 413.A N GLN 409.A O no hydrogen 2.860 N/A LEU 414.A N ALA 410.A O no hydrogen 3.093 N/A ARG 415.A N TYR 411.A O no hydrogen 3.035 N/A ARG 415.A NE ASN 416.A OD1 no hydrogen 2.949 N/A ARG 415.A NH1 TYR 411.A OH no hydrogen 3.009 N/A ARG 415.A NH2 ASN 416.A OD1 no hydrogen 3.027 N/A ASN 416.A N PHE 412.A O no hydrogen 3.074 N/A ASN 416.A ND2 ILE 368.A O no hydrogen 2.717 N/A ASN 416.A ND2 LYS 369.A O no hydrogen 3.173 N/A ARG 417.A N HIS 413.A O no hydrogen 3.241 N/A ARG 417.A NE PHE 307.A O no hydrogen 2.902 N/A ARG 417.A NH2 ILE 306.A O no hydrogen 2.840 N/A LEU 418.A N LEU 414.A O no hydrogen 3.090 N/A VAL 419.A N ARG 415.A O no hydrogen 2.986 N/A VAL 420.A N ASN 416.A O no hydrogen 2.894 N/A ALA 421.A N ARG 417.A O no hydrogen 2.837 N/A ALA 422.A N LEU 418.A O no hydrogen 2.889 N/A MET 423.A N VAL 419.A O no hydrogen 2.991 N/A HIS 424.A N ALA 421.A O no hydrogen 3.384 N/A HIS 424.A ND1 GLU 381.A OE2 no hydrogen 2.687 N/A HIS 424.A NE2 ASP 374.A OD1 no hydrogen 2.807 N/A TRP 425.A N ALA 421.A O no hydrogen 2.940 N/A GLY 427.A N TRP 425.A O no hydrogen 2.700 N/A GLN 431.A NE2 ARG 304.A O no hydrogen 3.687 N/A VAL 436.A N VAL 432.A O no hydrogen 2.991 N/A ARG 437.A N ILE 433.A O no hydrogen 2.794 N/A SER 438.A N GLY 434.A O no hydrogen 3.010 N/A HIS 439.A N LEU 435.A O no hydrogen 3.049 N/A LEU 440.A N VAL 436.A O no hydrogen 2.786 N/A LYS 441.A N ARG 437.A O no hydrogen 3.059 N/A ALA 442.A N SER 438.A O no hydrogen 3.254 N/A THR 443.A N HIS 439.A O no hydrogen 2.844 N/A THR 443.A OG1 HIS 439.A O no hydrogen 2.819 N/A LEU 444.A N LEU 440.A O no hydrogen 2.920 N/A LYS 445.A N LYS 441.A O no hydrogen 3.136 N/A HIS 446.A N ALA 442.A O no hydrogen 2.944 N/A HIS 446.A ND1 GLU 451.A OE1 no hydrogen 3.002 N/A LEU 447.A N THR 443.A O no hydrogen 3.021 N/A ALA 448.A N LEU 444.A O no hydrogen 2.854 N/A CYS 449.A N LYS 445.A O no hydrogen 2.880 N/A CYS 449.A SG LYS 445.A O no hydrogen 3.505 N/A LEU 450.A N LEU 447.A O no hydrogen 3.052 N/A GLU 451.A N HIS 446.A O no hydrogen 2.780 N/A SER 453.A N ASP 492.A OD1 no hydrogen 2.926 N/A SER 453.A OG ASP 492.A OD2 no hydrogen 2.919 N/A THR 454.A OG1 ILE 406.A O no hydrogen 2.698 N/A ALA 456.A N TYR 452.A O no hydrogen 3.118 N/A ILE 457.A N SER 453.A O no hydrogen 2.870 N/A GLN 458.A N THR 454.A O no hydrogen 2.938 N/A ASN 459.A N VAL 455.A O no hydrogen 2.817 N/A LYS 460.A N ALA 456.A O no hydrogen 3.048 N/A ALA 461.A N ILE 457.A O no hydrogen 2.812 N/A ILE 462.A N GLN 458.A O no hydrogen 3.168 N/A ASP 463.A N ASN 459.A O no hydrogen 3.242 N/A ASP 464.A N LYS 460.A O no hydrogen 2.860 N/A PHE 465.A N ALA 461.A O no hydrogen 3.049 N/A LEU 466.A N ILE 462.A O no hydrogen 2.932 N/A ALA 467.A N ASP 463.A O no hydrogen 2.996 N/A GLY 468.A N PHE 465.A O no hydrogen 3.226 N/A HIS 471.A NE2 ASP 464.A OD1 no hydrogen 3.012 N/A ILE 472.A N GLY 468.A O no hydrogen 3.186 N/A PHE 473.A N PRO 469.A O no hydrogen 3.247 N/A SER 474.A N GLU 470.A O no hydrogen 3.131 N/A SER 474.A OG GLU 470.A O no hydrogen 3.497 N/A SER 474.A OG HIS 471.A O no hydrogen 2.742 N/A ILE 475.A N HIS 471.A O no hydrogen 3.192 N/A ILE 475.A N ILE 472.A O no hydrogen 3.181 N/A LEU 476.A N PHE 473.A O no hydrogen 3.251 N/A ALA 479.A N ILE 475.A O no hydrogen 3.083 N/A GLN 482.A N SER 478.A O no hydrogen 3.307 N/A VAL 483.A N ALA 479.A O no hydrogen 3.011 N/A HIS 484.A N LEU 480.A O no hydrogen 3.122 N/A ARG 485.A N PRO 481.A O no hydrogen 3.003 N/A ARG 485.A NE GLN 482.A OE1 no hydrogen 3.191 N/A ARG 485.A NH2 GLN 482.A OE1 no hydrogen 3.154 N/A ILE 486.A N GLN 482.A O no hydrogen 3.238 N/A ARG 487.A N VAL 483.A O no hydrogen 3.104 N/A LYS 488.A N HIS 484.A O no hydrogen 3.033 N/A SER 489.A N ILE 486.A O no hydrogen 3.479 N/A SER 489.A OG ILE 486.A O no hydrogen 3.102 N/A TYR 490.A N ARG 487.A O no hydrogen 3.099 N/A ALA 493.A N TYR 490.A O no hydrogen 3.098 N/A VAL 494.A N PRO 491.A O no hydrogen 3.331 N/A LEU 496.A N VAL 574.A O no hydrogen 2.769 N/A GLU 501.A N ALA 498.A O no hydrogen 3.119 N/A LEU 502.A N ALA 499.A O no hydrogen 3.056 N/A LEU 506.A N PRO 544.A O no hydrogen 2.982 N/A HIS 507.A N GLU 545.A O no hydrogen 2.875 N/A ASN 509.A ND2 ASN 547.A O no hydrogen 2.550 N/A ILE 521.A N ASN 517.A O no hydrogen 3.170 N/A TYR 523.A N LEU 519.A O no hydrogen 3.005 N/A ARG 524.A N VAL 520.A O no hydrogen 2.860 N/A LEU 525.A N ILE 521.A O no hydrogen 2.814 N/A ALA 526.A N GLY 522.A O no hydrogen 2.902 N/A ARG 527.A N TYR 523.A O no hydrogen 3.006 N/A GLY 528.A N ARG 524.A O no hydrogen 2.972 N/A ILE 529.A N LEU 525.A O no hydrogen 2.946 N/A MET 530.A N ALA 526.A O no hydrogen 2.867 N/A HIS 531.A N ARG 527.A O no hydrogen 3.127 N/A HIS 531.A NE2 VAL 561.A O no hydrogen 3.136 N/A ASN 532.A N GLY 528.A O no hydrogen 3.117 N/A ASN 532.A ND2 GLY 528.A O no hydrogen 2.938 N/A LEU 533.A N MET 530.A O no hydrogen 3.328 N/A THR 534.A N HIS 531.A O no hydrogen 3.135 N/A THR 534.A OG1 HIS 531.A O no hydrogen 2.847 N/A ASN 537.A N ASP 562.A OD2 no hydrogen 2.885 N/A GLN 539.A N ASN 537.A OD1 no hydrogen 3.130 N/A HIS 540.A N ASN 537.A O no hydrogen 3.050 N/A HIS 541.A N PRO 538.A O no hydrogen 2.939 N/A ARG 542.A N GLN 539.A O no hydrogen 3.182 N/A ARG 543.A N GLN 539.A O no hydrogen 3.033 N/A ARG 543.A NE PRO 504.A O no hydrogen 2.778 N/A ARG 543.A NH2 PRO 504.A O no hydrogen 3.539 N/A ARG 543.A NH2 PRO 505.A O no hydrogen 3.250 N/A GLU 545.A N GLY 563.A O no hydrogen 2.746 N/A VAL 548.A N THR 565.A O no hydrogen 2.790 N/A THR 550.A OG1 THR 567.A O no hydrogen 2.858 N/A THR 550.A OG1 THR 568.A O no hydrogen 3.096 N/A ASP 552.A N PRO 549.A O no hydrogen 3.015 N/A ALA 553.A N THR 550.A O no hydrogen 3.132 N/A ARG 554.A N ASP 552.A O no hydrogen 2.723 N/A LEU 557.A N ARG 554.A O no hydrogen 2.980 N/A LEU 558.A N ARG 554.A O no hydrogen 2.874 N/A CYS 559.A N TRP 555.A O no hydrogen 2.902 N/A CYS 559.A SG TRP 555.A O no hydrogen 3.068 N/A CYS 559.A SG PHE 556.A O no hydrogen 3.824 N/A ASP 562.A N GLU 545.A OE2 no hydrogen 2.564 N/A GLY 563.A N GLU 545.A OE2 no hydrogen 3.093 N/A ALA 564.A N ARG 577.A O no hydrogen 2.941 N/A THR 565.A N PHE 546.A O no hydrogen 3.109 N/A THR 565.A OG1 ASN 547.A OD1 no hydrogen 2.978 N/A VAL 566.A N VAL 575.A O no hydrogen 2.793 N/A THR 567.A N VAL 548.A O no hydrogen 3.214 N/A THR 567.A OG1 VAL 548.A O no hydrogen 3.525 N/A THR 568.A N GLY 573.A O no hydrogen 2.913 N/A THR 568.A OG1 ASP 570.A OD1 no hydrogen 2.624 N/A THR 568.A OG1 GLY 573.A O no hydrogen 3.346 N/A GLY 571.A N THR 568.A O no hydrogen 2.833 N/A CYS 572.A N ASP 570.A OD1 no hydrogen 2.979 N/A CYS 572.A SG ASP 570.A O no hydrogen 3.758 N/A GLY 573.A N THR 568.A OG1 no hydrogen 3.308 N/A VAL 574.A N LEU 496.A O no hydrogen 2.935 N/A VAL 575.A N VAL 566.A O no hydrogen 2.852 N/A TYR 576.A OH HIS 540.A O no hydrogen 2.578 N/A ARG 577.A N ALA 564.A O no hydrogen 2.738 N/A ARG 577.A NH1 CYS 449.A O no hydrogen 3.086 N/A ARG 579.A N ASP 562.A O no hydrogen 2.774 N/A ARG 579.A NE HIS 531.A NE2 no hydrogen 3.207 N/A ARG 579.A NE ASP 562.A OD1 no hydrogen 2.993 N/A ARG 579.A NH1 THR 534.A O no hydrogen 3.006 N/A ARG 579.A NH2 HIS 531.A NE2 no hydrogen 3.432 N/A ARG 579.A NH2 THR 534.A O no hydrogen 3.490 N/A ARG 579.A NH2 THR 534.A OG1 no hydrogen 2.991 N/A ARG 579.A NH2 ASP 562.A OD1 no hydrogen 2.803 N/A ASP 580.A N TYR 452.A OH no hydrogen 3.431 N/A LYS 583.A N ASP 580.A OD1 no hydrogen 3.163 N/A MET 584.A N ASP 580.A O no hydrogen 2.892 N/A PHE 585.A N ARG 581.A O no hydrogen 3.059 N/A ALA 586.A N ALA 582.A O no hydrogen 3.062 N/A LEU 587.A N LYS 583.A O no hydrogen 2.872 N/A LEU 588.A N MET 584.A O no hydrogen 2.837 N/A TRP 589.A N PHE 585.A O no hydrogen 2.887 N/A GLN 590.A N ALA 586.A O no hydrogen 2.966 N/A SER 591.A N LEU 587.A O no hydrogen 2.912 N/A LEU 592.A N LEU 588.A O no hydrogen 2.859 N/A ARG 593.A N TRP 589.A O no hydrogen 2.918 N/A ARG 594.A N GLN 590.A O no hydrogen 3.196 N/A ARG 594.A NE ASN 459.A O no hydrogen 3.138 N/A ARG 594.A NE ASP 463.A OD1 no hydrogen 2.797 N/A ARG 594.A NE ASP 463.A OD2 no hydrogen 3.170 N/A ARG 594.A NH1 GLN 590.A O no hydrogen 3.090 N/A ARG 594.A NH1 GLN 590.A OE1 no hydrogen 2.874 N/A ARG 594.A NH2 ASP 463.A OD2 no hydrogen 2.858 N/A GLN 595.A N SER 591.A O no hydrogen 2.809 N/A GLN 595.A NE2 SER 591.A OG no hydrogen 2.767 N/A ARG 596.A N LEU 592.A O no hydrogen 3.049 N/A GLN 597.A N ARG 593.A O no hydrogen 3.306 N/A LEU 598.A N ARG 594.A O no hydrogen 2.973 N/A LEU 599.A N GLN 595.A O no hydrogen 3.372 N/A LYS 600.A N ARG 596.A O no hydrogen 3.272 N/A LYS 600.A N GLN 597.A O no hydrogen 3.127 N/A ARG 601.A N GLN 597.A O no hydrogen 2.780 N/A ARG 601.A NE GLU 604.A OE2 no hydrogen 3.369 N/A ARG 601.A NH2 GLU 604.A OE2 no hydrogen 2.902 N/A MET 605.A N ARG 601.A O no hydrogen 3.030 N/A ARG 606.A N PHE 602.A O no hydrogen 3.040 N/A ARG 607.A N GLU 603.A O no hydrogen 3.400 N/A ILE 608.A N GLU 604.A O no hydrogen 3.103 N/A TYR 609.A N MET 605.A O no hydrogen 2.888 N/A TYR 609.A OH PHE 465.A O no hydrogen 2.737 N/A ARG 610.A N ARG 606.A O no hydrogen 2.836 N/A ASP 611.A N ARG 607.A O no hydrogen 2.865 N/A ALA 612.A N TYR 609.A O no hydrogen 3.257 N/A LEU 613.A N ARG 610.A O no hydrogen 3.287 N/A LEU 616.A N ALA 612.A O no hydrogen 2.761 N/A SER 617.A N LEU 613.A O no hydrogen 2.915 N/A SER 617.A OG LEU 613.A O no hydrogen 2.690 N/A SER 618.A N THR 615.A O no hydrogen 3.228 N/A SER 618.A OG THR 615.A O no hydrogen 3.363 N/A LYS 621.A N SER 618.A OG no hydrogen 3.069 N/A LYS 621.A NZ GLU 470.A OE2 no hydrogen 3.353 N/A TRP 622.A N SER 618.A O no hydrogen 3.109 N/A TRP 622.A NE1 PRO 363.A O no hydrogen 2.984 N/A GLU 623.A N LYS 619.A O no hydrogen 3.004 N/A GLU 623.A N GLN 620.A O no hydrogen 3.170 N/A THR 624.A N LYS 621.A O no hydrogen 3.211 N/A THR 624.A OG1 LYS 621.A O no hydrogen 3.137 N/A ALA 625.A N TRP 622.A O no hydrogen 3.136 N/A LEU 626.A N TRP 622.A O no hydrogen 2.825 N/A LEU 627.A N GLU 623.A O no hydrogen 3.067 N/A