Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3grl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A N THR 1.A O no hydrogen 3.360 N/A THR 5.A OG1 GLU 2.A OE2 no hydrogen 3.201 N/A ILE 6.A N GLU 2.A O no hydrogen 2.754 N/A GLN 7.A N ALA 3.A O no hydrogen 3.064 N/A GLN 7.A NE2 GLN 7.A O no hydrogen 3.195 N/A LYS 8.A N GLU 4.A O no hydrogen 2.869 N/A LEU 9.A N THR 5.A O no hydrogen 2.951 N/A CYS 10.A N ILE 6.A O no hydrogen 2.805 N/A CYS 10.A SG ILE 6.A O no hydrogen 3.334 N/A CYS 10.A SG GLN 43.A O no hydrogen 3.287 N/A ASP 11.A N GLN 7.A O no hydrogen 2.955 N/A ARG 12.A N LYS 8.A O no hydrogen 2.898 N/A ARG 12.A NH2 ASP 21.A O no hydrogen 3.144 N/A VAL 13.A N LEU 9.A O no hydrogen 2.797 N/A ALA 14.A N CYS 10.A O no hydrogen 2.906 N/A SER 15.A N ASP 11.A O no hydrogen 2.524 N/A SER 15.A OG ASP 11.A O no hydrogen 2.668 N/A SER 16.A N ARG 12.A O no hydrogen 2.732 N/A ASP 21.A N LEU 18.A O no hydrogen 3.207 N/A ARG 22.A N LEU 18.A O no hydrogen 3.228 N/A ARG 22.A NE ASP 55.A OD1 no hydrogen 2.921 N/A ARG 22.A NH1 SER 16.A O no hydrogen 3.294 N/A ARG 22.A NH1 THR 17.A O no hydrogen 3.152 N/A ARG 22.A NH2 ASP 55.A OD2 no hydrogen 2.702 N/A ARG 23.A N LEU 19.A O no hydrogen 2.872 N/A ARG 23.A NE ASP 58.A OD2 no hydrogen 3.158 N/A ARG 23.A NH1 ASP 20.A OD2 no hydrogen 3.000 N/A ARG 23.A NH2 ASP 58.A OD1 no hydrogen 2.996 N/A ARG 23.A NH2 ASP 58.A OD2 no hydrogen 3.569 N/A ASN 24.A N ASP 20.A O no hydrogen 3.077 N/A ALA 25.A N ASP 21.A O no hydrogen 2.986 N/A VAL 26.A N ARG 22.A O no hydrogen 2.861 N/A ARG 27.A N ARG 23.A O no hydrogen 2.861 N/A ALA 28.A N ASN 24.A O no hydrogen 3.074 N/A LEU 29.A N ALA 25.A O no hydrogen 2.806 N/A LYS 30.A N VAL 26.A O no hydrogen 2.857 N/A LYS 30.A NZ ASP 67.A OD1 no hydrogen 3.323 N/A SER 31.A N ARG 27.A O no hydrogen 3.377 N/A SER 31.A OG ARG 27.A O no hydrogen 3.102 N/A SER 31.A OG ALA 28.A O no hydrogen 2.827 N/A LEU 32.A N ALA 28.A O no hydrogen 3.224 N/A SER 33.A N LYS 30.A O no hydrogen 2.869 N/A SER 33.A OG LYS 30.A O no hydrogen 2.374 N/A ARG 37.A NH1 ILE 72.A O no hydrogen 2.647 N/A ARG 37.A NH2 ASN 75.A OD1 no hydrogen 2.978 N/A ILE 42.A N LEU 38.A O no hydrogen 2.825 N/A GLN 43.A N GLU 39.A O no hydrogen 2.470 N/A HIS 47.A N ALA 44.A O no hydrogen 3.069 N/A LEU 48.A N ALA 44.A O no hydrogen 2.874 N/A ILE 49.A N MET 45.A O no hydrogen 2.921 N/A HIS 50.A N GLU 46.A O no hydrogen 3.045 N/A VAL 51.A N HIS 47.A O no hydrogen 2.901 N/A LEU 52.A N LEU 48.A O no hydrogen 3.213 N/A LEU 52.A N ILE 49.A O no hydrogen 2.895 N/A GLN 53.A N ILE 49.A O no hydrogen 3.071 N/A THR 54.A N HIS 50.A O no hydrogen 3.029 N/A THR 54.A OG1 HIS 50.A O no hydrogen 2.728 N/A ASP 58.A N ASP 55.A O no hydrogen 3.218 N/A ILE 61.A N ASP 58.A OD2 no hydrogen 2.885 N/A ILE 62.A N ASP 58.A O no hydrogen 3.336 N/A GLY 63.A N SER 59.A O no hydrogen 2.876 N/A TYR 64.A N GLU 60.A O no hydrogen 3.019 N/A TYR 64.A OH GLU 60.A OE1 no hydrogen 3.190 N/A ALA 65.A N ILE 61.A O no hydrogen 2.825 N/A LEU 66.A N ILE 62.A O no hydrogen 2.943 N/A ASP 67.A N GLY 63.A O no hydrogen 2.957 N/A THR 68.A N TYR 64.A O no hydrogen 2.959 N/A THR 68.A OG1 TYR 64.A O no hydrogen 2.805 N/A LEU 69.A N ALA 65.A O no hydrogen 2.928 N/A TYR 70.A N LEU 66.A O no hydrogen 2.779 N/A ASN 71.A N ASP 67.A O no hydrogen 3.078 N/A ASN 71.A ND2 SER 33.A OG no hydrogen 2.960 N/A ILE 72.A N THR 68.A O no hydrogen 2.945 N/A ILE 73.A N LEU 69.A O no hydrogen 2.954 N/A SER 74.A N TYR 70.A O no hydrogen 2.720 N/A ASN 75.A ND2 ASP 77.A OD2 no hydrogen 2.912 N/A ASP 76.A N SER 74.A OG no hydrogen 3.055 N/A GLY 79.A N ASN 75.A OD1 no hydrogen 3.186 N/A SER 80.A N ASP 77.A O no hydrogen 3.304 N/A SER 80.A N ASP 77.A OD2 no hydrogen 3.364 N/A GLN 81.A NE2 GLN 81.A O no hydrogen 3.296 N/A PHE 82.A N LEU 78.A O no hydrogen 3.249 N/A THR 83.A N GLY 79.A O no hydrogen 3.216 N/A THR 83.A OG1 GLY 79.A O no hydrogen 3.087 N/A GLU 84.A N SER 80.A O no hydrogen 3.237 N/A ILE 85.A N GLN 81.A O no hydrogen 3.083 N/A PHE 86.A N PHE 82.A O no hydrogen 2.931 N/A ILE 87.A N THR 83.A O no hydrogen 3.086 N/A LYS 88.A N ILE 85.A O no hydrogen 3.177 N/A ASN 92.A N GLN 89.A O no hydrogen 3.028 N/A ASN 92.A ND2 PHE 86.A O no hydrogen 2.651 N/A ASN 92.A ND2 GLN 89.A OE1 no hydrogen 2.875 N/A VAL 93.A N GLN 90.A O no hydrogen 3.131 N/A THR 94.A N GLN 90.A O no hydrogen 3.394 N/A THR 94.A OG1 GLU 91.A O no hydrogen 3.306 N/A LEU 95.A N GLU 91.A O no hydrogen 2.840 N/A LEU 96.A N ASN 92.A O no hydrogen 3.308 N/A LEU 97.A N VAL 93.A O no hydrogen 3.076 N/A SER 98.A N THR 94.A O no hydrogen 3.030 N/A SER 98.A OG THR 94.A O no hydrogen 3.483 N/A LEU 99.A N LEU 95.A O no hydrogen 2.979 N/A LEU 100.A N LEU 96.A O no hydrogen 2.998 N/A GLU 101.A N SER 98.A O no hydrogen 3.101 N/A GLU 102.A N LEU 99.A O no hydrogen 2.868 N/A VAL 107.A N ASP 104.A O no hydrogen 3.058 N/A ARG 108.A N ASP 104.A O no hydrogen 2.817 N/A ARG 108.A NE ASP 146.A OD2 no hydrogen 3.237 N/A ARG 108.A NH1 GLU 102.A O no hydrogen 3.392 N/A ARG 108.A NH2 ASP 146.A OD2 no hydrogen 2.821 N/A TRP 109.A N PHE 105.A O no hydrogen 2.960 N/A TRP 109.A NE1 ASP 154.A OD2 no hydrogen 2.801 N/A GLY 111.A N VAL 107.A O no hydrogen 3.047 N/A VAL 112.A N ARG 108.A O no hydrogen 2.976 N/A LYS 113.A N TRP 109.A O no hydrogen 3.043 N/A LEU 114.A N PRO 110.A O no hydrogen 2.936 N/A LEU 115.A N GLY 111.A O no hydrogen 3.006 N/A THR 116.A N VAL 112.A O no hydrogen 2.948 N/A THR 116.A OG1 VAL 112.A O no hydrogen 2.705 N/A SER 117.A N LYS 113.A O no hydrogen 3.144 N/A LEU 118.A N LEU 114.A O no hydrogen 2.978 N/A LEU 119.A N LEU 115.A O no hydrogen 2.954 N/A LYS 120.A N THR 116.A O no hydrogen 2.807 N/A GLN 121.A N SER 117.A O no hydrogen 2.965 N/A GLN 121.A NE2 ILE 73.A O no hydrogen 2.780 N/A GLN 121.A NE2 SER 117.A OG no hydrogen 2.874 N/A LEU 122.A N LEU 118.A O no hydrogen 2.951 N/A GLN 125.A N GLN 125.A OE1 no hydrogen 2.711 N/A VAL 126.A N LEU 122.A O no hydrogen 3.059 N/A GLN 127.A N GLY 123.A O no hydrogen 2.855 N/A GLN 127.A NE2 ALA 161.A O no hydrogen 2.965 N/A GLN 127.A NE2 ARG 164.A O no hydrogen 2.996 N/A GLN 128.A N PRO 124.A O no hydrogen 3.077 N/A ILE 129.A N GLN 125.A O no hydrogen 3.204 N/A ILE 130.A N VAL 126.A O no hydrogen 3.107 N/A LEU 131.A N GLN 127.A O no hydrogen 2.830 N/A VAL 132.A N GLN 128.A O no hydrogen 3.272 N/A SER 133.A N ILE 130.A O no hydrogen 3.221 N/A GLY 136.A N SER 133.A O no hydrogen 2.822 N/A SER 138.A OG GLU 176.A OE1 no hydrogen 3.488 N/A SER 138.A OG GLU 176.A OE2 no hydrogen 2.754 N/A ARG 139.A N MET 135.A O no hydrogen 3.048 N/A ARG 139.A NE MET 135.A O no hydrogen 3.026 N/A ARG 139.A NH1 GLU 101.A OE1 no hydrogen 2.820 N/A LEU 140.A N VAL 137.A O no hydrogen 3.062 N/A MET 141.A N VAL 137.A O no hydrogen 2.882 N/A ASP 142.A N SER 138.A O no hydrogen 3.033 N/A LEU 143.A N LEU 140.A O no hydrogen 3.000 N/A LEU 144.A N MET 141.A O no hydrogen 3.061 N/A ALA 145.A N ASP 142.A O no hydrogen 2.797 N/A ASP 146.A N LEU 143.A O no hydrogen 3.157 N/A ARG 148.A N ASP 146.A OD1 no hydrogen 2.843 N/A ARG 148.A NE ASP 146.A OD1 no hydrogen 2.821 N/A ARG 148.A NH1 PHE 103.A O no hydrogen 2.767 N/A ARG 148.A NH2 PHE 103.A O no hydrogen 2.951 N/A ARG 148.A NH2 ASP 146.A OD1 no hydrogen 3.333 N/A ARG 148.A NH2 ASP 146.A OD2 no hydrogen 2.750 N/A ARG 152.A N ARG 148.A O no hydrogen 2.993 N/A ARG 152.A NE ASN 153.A OD1 no hydrogen 3.116 N/A ARG 152.A NH2 ASN 153.A OD1 no hydrogen 2.930 N/A ARG 152.A NH2 GLU 189.A OE2 no hydrogen 2.889 N/A ASN 153.A N GLU 149.A O no hydrogen 2.885 N/A ASP 154.A N VAL 150.A O no hydrogen 2.978 N/A GLY 155.A N ILE 151.A O no hydrogen 2.744 N/A VAL 156.A N ARG 152.A O no hydrogen 3.028 N/A LEU 157.A N ASN 153.A O no hydrogen 3.452 N/A LEU 158.A N ASP 154.A O no hydrogen 3.010 N/A LEU 159.A N GLY 155.A O no hydrogen 2.918 N/A GLN 160.A N VAL 156.A O no hydrogen 2.948 N/A GLN 160.A NE2 ASP 200.A O no hydrogen 2.895 N/A GLN 160.A NE2 ASP 200.A OD1 no hydrogen 3.499 N/A ALA 161.A N LEU 157.A O no hydrogen 3.182 N/A LEU 162.A N LEU 158.A O no hydrogen 2.843 N/A THR 163.A N LEU 159.A O no hydrogen 2.933 N/A THR 163.A OG1 LEU 159.A O no hydrogen 2.774 N/A THR 163.A OG1 GLN 160.A O no hydrogen 3.291 N/A ARG 164.A N GLN 160.A O no hydrogen 3.093 N/A ASN 166.A N THR 163.A O no hydrogen 3.020 N/A ASN 166.A ND2 GLN 127.A OE1 no hydrogen 2.886 N/A ILE 169.A N ASN 166.A OD1 no hydrogen 2.986 N/A GLN 170.A N ASN 166.A O no hydrogen 2.969 N/A GLN 170.A NE2 THR 163.A O no hydrogen 2.901 N/A LYS 171.A N GLY 167.A O no hydrogen 3.032 N/A ILE 172.A N ALA 168.A O no hydrogen 3.251 N/A VAL 173.A N ILE 169.A O no hydrogen 3.027 N/A ALA 174.A N GLN 170.A O no hydrogen 3.138 N/A PHE 175.A N LYS 171.A O no hydrogen 3.142 N/A GLU 176.A N ILE 172.A O no hydrogen 2.958 N/A ASN 177.A N ALA 174.A O no hydrogen 3.231 N/A ALA 178.A N VAL 173.A O no hydrogen 3.216 N/A ARG 181.A N ASN 177.A O no hydrogen 3.073 N/A ARG 181.A NE LEU 144.A O no hydrogen 3.268 N/A ARG 181.A NH2 LEU 144.A O no hydrogen 3.068 N/A LEU 182.A N ALA 178.A O no hydrogen 2.864 N/A LEU 183.A N PHE 179.A O no hydrogen 2.983 N/A ASP 184.A N GLU 180.A O no hydrogen 2.969 N/A ILE 185.A N ARG 181.A O no hydrogen 2.965 N/A ILE 186.A N LEU 182.A O no hydrogen 3.001 N/A THR 187.A N LEU 183.A O no hydrogen 2.916 N/A THR 187.A OG1 LEU 183.A O no hydrogen 3.058 N/A GLU 188.A N ASP 184.A O no hydrogen 2.992 N/A GLU 189.A N ILE 185.A O no hydrogen 2.981 N/A GLY 190.A N THR 187.A O no hydrogen 3.011 N/A ASN 191.A N ILE 186.A O no hydrogen 2.835 N/A ASP 193.A N GLY 190.A O no hydrogen 3.174 N/A GLY 194.A N ASN 191.A O no hydrogen 3.003 N/A GLU 199.A N GLY 195.A O no hydrogen 3.334 N/A ASP 200.A N ILE 196.A O no hydrogen 2.872 N/A CYS 201.A N VAL 197.A O no hydrogen 2.938 N/A CYS 201.A SG VAL 197.A O no hydrogen 3.394 N/A LEU 202.A N VAL 198.A O no hydrogen 2.876 N/A ILE 203.A N GLU 199.A O no hydrogen 2.917 N/A LEU 204.A N ASP 200.A O no hydrogen 3.101 N/A LEU 205.A N CYS 201.A O no hydrogen 2.911 N/A GLN 206.A N LEU 202.A O no hydrogen 2.940 N/A GLN 206.A NE2 GLN 254.A OE1 no hydrogen 3.496 N/A ASN 207.A N ILE 203.A O no hydrogen 2.971 N/A ASN 207.A ND2 THR 163.A OG1 no hydrogen 3.310 N/A LEU 208.A N LEU 204.A O no hydrogen 2.977 N/A LEU 209.A N LEU 205.A O no hydrogen 3.131 N/A LEU 209.A N GLN 206.A O no hydrogen 3.285 N/A LYS 210.A N GLN 206.A O no hydrogen 2.861 N/A ASN 212.A N LEU 209.A O no hydrogen 3.005 N/A ASN 212.A ND2 GLN 170.A OE1 no hydrogen 2.753 N/A ASN 215.A N ASN 212.A OD1 no hydrogen 2.889 N/A ASN 215.A ND2 GLN 170.A O no hydrogen 2.983 N/A ASN 215.A ND2 LEU 208.A O no hydrogen 2.872 N/A GLN 216.A N ASN 212.A O no hydrogen 2.986 N/A GLN 216.A NE2 LEU 209.A O no hydrogen 2.987 N/A ASN 217.A N ASN 213.A O no hydrogen 3.024 N/A PHE 218.A N SER 214.A O no hydrogen 3.006 N/A PHE 219.A N ASN 215.A O no hydrogen 2.833 N/A LYS 220.A N GLN 216.A O no hydrogen 3.011 N/A LYS 220.A NZ GLU 221.A OE2 no hydrogen 2.896 N/A LYS 220.A NZ SER 271.A OG no hydrogen 2.527 N/A GLU 221.A N ASN 217.A O no hydrogen 2.819 N/A GLY 222.A N PHE 218.A O no hydrogen 2.839 N/A SER 223.A N LYS 220.A O no hydrogen 3.103 N/A TYR 224.A N PHE 219.A O no hydrogen 3.247 N/A ARG 227.A N TYR 224.A O no hydrogen 2.930 N/A ARG 227.A NH1 GLU 180.A OE2 no hydrogen 3.233 N/A ARG 227.A NH1 ASP 184.A OD1 no hydrogen 3.067 N/A ARG 227.A NH2 ASP 184.A OD1 no hydrogen 2.891 N/A ARG 227.A NH2 THR 187.A OG1 no hydrogen 2.968 N/A MET 228.A N ILE 225.A O no hydrogen 2.872 N/A LYS 229.A N GLN 226.A O no hydrogen 3.292 N/A LYS 229.A NZ GLU 233.A OE2 no hydrogen 2.970 N/A TRP 231.A N MET 228.A O no hydrogen 3.231 N/A PHE 232.A N LYS 229.A O no hydrogen 3.072 N/A GLU 233.A N PRO 230.A O no hydrogen 3.247 N/A ASN 238.A ND2 GLY 235.A O no hydrogen 3.637 N/A GLN 244.A NE2 GLU 199.A OE1 no hydrogen 2.822 N/A GLN 244.A NE2 ASN 248.A OD1 no hydrogen 2.981 N/A LYS 245.A N SER 242.A OG no hydrogen 2.988 N/A LYS 245.A NZ SER 192.A OG no hydrogen 2.884 N/A LYS 245.A NZ ASP 193.A OD1 no hydrogen 2.739 N/A LYS 245.A NZ ASP 193.A OD2 no hydrogen 3.327 N/A LYS 245.A NZ GLU 237.A OE2 no hydrogen 3.339 N/A VAL 246.A N SER 242.A O no hydrogen 3.157 N/A THR 247.A N ALA 243.A O no hydrogen 2.949 N/A THR 247.A OG1 ALA 243.A O no hydrogen 3.191 N/A ASN 248.A N GLN 244.A O no hydrogen 2.897 N/A ASN 248.A ND2 SER 192.A O no hydrogen 2.993 N/A ASN 248.A ND2 GLY 195.A O no hydrogen 3.335 N/A LEU 249.A N LYS 245.A O no hydrogen 2.935 N/A HIS 250.A N VAL 246.A O no hydrogen 2.868 N/A LEU 251.A N THR 247.A O no hydrogen 3.113 N/A MET 252.A N ASN 248.A O no hydrogen 2.893 N/A LEU 253.A N LEU 249.A O no hydrogen 2.949 N/A GLN 254.A N HIS 250.A O no hydrogen 3.058 N/A LEU 255.A N LEU 251.A O no hydrogen 3.004 N/A VAL 256.A N MET 252.A O no hydrogen 3.159 N/A ARG 257.A N LEU 253.A O no hydrogen 2.973 N/A ARG 257.A NE GLU 308.A OE1 no hydrogen 2.824 N/A ARG 257.A NH1 GLU 301.A OE2 no hydrogen 3.073 N/A ARG 257.A NH2 GLU 308.A OE1 no hydrogen 3.528 N/A ARG 257.A NH2 GLU 308.A OE2 no hydrogen 2.935 N/A ARG 257.A NH2 GLN 567.A OE1 no hydrogen 2.680 N/A VAL 258.A N GLN 254.A O no hydrogen 2.989 N/A LEU 259.A N VAL 256.A O no hydrogen 3.251 N/A VAL 260.A N ARG 257.A O no hydrogen 3.114 N/A SER 261.A N VAL 258.A O no hydrogen 3.492 N/A ASN 263.A N SER 261.A OG no hydrogen 3.057 N/A ASN 264.A N SER 261.A O no hydrogen 3.189 N/A ASN 264.A ND2 VAL 258.A O no hydrogen 3.233 N/A ASN 264.A ND2 THR 269.A OG1 no hydrogen 3.193 N/A ALA 268.A N PRO 265.A O no hydrogen 2.932 N/A THR 269.A N PRO 265.A O no hydrogen 3.466 N/A THR 269.A OG1 SER 261.A O no hydrogen 2.693 N/A SER 270.A N PRO 266.A O no hydrogen 3.049 N/A SER 270.A OG PRO 266.A O no hydrogen 3.261 N/A SER 271.A N GLY 267.A O no hydrogen 3.054 N/A CYS 272.A N ALA 268.A O no hydrogen 2.981 N/A CYS 272.A SG LEU 259.A O no hydrogen 3.708 N/A CYS 272.A SG ALA 268.A O no hydrogen 3.479 N/A GLN 273.A N THR 269.A O no hydrogen 2.834 N/A GLN 273.A NE2 GLU 308.A O no hydrogen 2.939 N/A GLN 273.A NE2 ARG 311.A O no hydrogen 2.856 N/A LYS 274.A N SER 270.A O no hydrogen 3.105 N/A ALA 275.A N SER 271.A O no hydrogen 3.077 N/A MET 276.A N CYS 272.A O no hydrogen 2.885 N/A PHE 277.A N GLN 273.A O no hydrogen 3.062 N/A GLN 278.A N LYS 274.A O no hydrogen 2.889 N/A CYS 279.A N ALA 275.A O no hydrogen 3.045 N/A CYS 279.A SG ALA 275.A O no hydrogen 3.334 N/A CYS 279.A SG MET 276.A O no hydrogen 3.853 N/A GLY 280.A N PHE 277.A O no hydrogen 3.181 N/A LEU 282.A N MET 276.A O no hydrogen 3.247 N/A GLN 283.A N GLN 283.A OE1 no hydrogen 2.683 N/A GLN 283.A NE2 PHE 277.A O no hydrogen 3.015 N/A GLN 284.A N GLY 280.A O no hydrogen 2.977 N/A GLN 284.A NE2 PHE 232.A O no hydrogen 2.796 N/A LEU 285.A N LEU 281.A O no hydrogen 2.868 N/A CYS 286.A N LEU 282.A O no hydrogen 2.913 N/A CYS 286.A SG LEU 282.A O no hydrogen 3.365 N/A THR 287.A N GLN 283.A O no hydrogen 3.084 N/A THR 287.A OG1 GLN 283.A O no hydrogen 3.186 N/A ILE 288.A N GLN 284.A O no hydrogen 3.359 N/A LEU 289.A N LEU 285.A O no hydrogen 3.040 N/A MET 290.A N CYS 286.A O no hydrogen 3.145 N/A ALA 291.A N ILE 288.A O no hydrogen 3.156 N/A LEU 299.A N PRO 295.A O no hydrogen 2.924 N/A THR 300.A N ALA 296.A O no hydrogen 2.949 N/A THR 300.A OG1 ALA 296.A O no hydrogen 3.088 N/A GLU 301.A N ASP 297.A O no hydrogen 3.072 N/A THR 302.A N ILE 298.A O no hydrogen 2.712 N/A THR 302.A OG1 ILE 298.A O no hydrogen 2.672 N/A ILE 303.A N LEU 299.A O no hydrogen 2.961 N/A ASN 304.A N THR 300.A O no hydrogen 2.966 N/A THR 305.A N GLU 301.A O no hydrogen 2.868 N/A THR 305.A OG1 GLU 301.A O no hydrogen 2.882 N/A VAL 306.A N THR 302.A O no hydrogen 2.929 N/A SER 307.A N ILE 303.A O no hydrogen 3.013 N/A SER 307.A OG ILE 303.A O no hydrogen 2.691 N/A VAL 309.A N THR 305.A O no hydrogen 2.974 N/A ILE 310.A N VAL 306.A O no hydrogen 3.012 N/A ILE 310.A N SER 307.A O no hydrogen 3.338 N/A CYS 313.A N ILE 310.A O no hydrogen 2.965 N/A GLN 314.A NE2 GLN 314.A O no hydrogen 3.602 N/A GLN 314.A NE2 ASP 318.A OD1 no hydrogen 2.744 N/A GLN 314.A NE2 ASN 365.A OD1 no hydrogen 3.086 N/A ASN 316.A ND2 GLN 273.A O no hydrogen 3.029 N/A ASN 316.A ND2 VAL 309.A O no hydrogen 2.954 N/A GLN 317.A N CYS 313.A O no hydrogen 2.840 N/A GLN 317.A NE2 CYS 360.A O no hydrogen 2.829 N/A GLN 317.A NE2 TYR 363.A O no hydrogen 2.891 N/A ASP 318.A N GLN 314.A O no hydrogen 2.874 N/A TYR 319.A N VAL 315.A O no hydrogen 2.957 N/A PHE 320.A N ASN 316.A O no hydrogen 2.984 N/A ALA 321.A N GLN 317.A O no hydrogen 3.021 N/A SER 322.A N ASP 318.A O no hydrogen 3.220 N/A SER 322.A N TYR 319.A O no hydrogen 2.937 N/A SER 322.A OG TYR 319.A O no hydrogen 2.572 N/A VAL 323.A N PHE 320.A O no hydrogen 3.016 N/A ALA 325.A N ARG 331.A O no hydrogen 2.752 N/A SER 327.A N ALA 325.A O no hydrogen 3.013 N/A SER 327.A OG PRO 329.A O no hydrogen 2.718 N/A ALA 333.A N VAL 323.A O no hydrogen 2.951 N/A VAL 336.A N PRO 332.A O no hydrogen 3.102 N/A LEU 337.A N ALA 333.A O no hydrogen 2.762 N/A LEU 338.A N ILE 334.A O no hydrogen 2.958 N/A MET 339.A N VAL 335.A O no hydrogen 2.943 N/A SER 340.A N VAL 336.A O no hydrogen 3.367 N/A SER 340.A OG VAL 336.A O no hydrogen 2.822 N/A MET 341.A N LEU 337.A O no hydrogen 3.124 N/A VAL 342.A N LEU 338.A O no hydrogen 3.262 N/A ASN 343.A N SER 340.A O no hydrogen 3.119 N/A ARG 345.A N ASN 343.A OD1 no hydrogen 3.162 N/A GLN 346.A N ASN 343.A O no hydrogen 3.071 N/A ARG 351.A N PRO 347.A O no hydrogen 3.005 N/A ARG 351.A NH1 SER 405.A OG no hydrogen 2.912 N/A ARG 351.A NH2 ASP 402.A OD2 no hydrogen 3.126 N/A CYS 352.A N PHE 348.A O no hydrogen 2.929 N/A CYS 352.A SG PHE 348.A O no hydrogen 3.545 N/A CYS 352.A SG PRO 568.A O no hydrogen 3.363 N/A ALA 353.A N VAL 349.A O no hydrogen 3.018 N/A VAL 354.A N LEU 350.A O no hydrogen 2.904 N/A LEU 355.A N ARG 351.A O no hydrogen 3.029 N/A TYR 356.A N CYS 352.A O no hydrogen 2.877 N/A TYR 356.A OH GLU 308.A OE2 no hydrogen 2.685 N/A CYS 357.A N ALA 353.A O no hydrogen 2.877 N/A PHE 358.A N VAL 354.A O no hydrogen 3.035 N/A GLN 359.A N LEU 355.A O no hydrogen 2.954 N/A CYS 360.A N TYR 356.A O no hydrogen 2.938 N/A CYS 360.A SG TYR 356.A O no hydrogen 3.320 N/A PHE 361.A N CYS 357.A O no hydrogen 2.897 N/A LEU 362.A N PHE 358.A O no hydrogen 3.131 N/A TYR 363.A N CYS 360.A O no hydrogen 3.450 N/A LYS 364.A NZ GLU 419.A OE2 no hydrogen 3.503 N/A ASN 365.A N LEU 362.A O no hydrogen 2.987 N/A ASN 365.A ND2 PHE 361.A O no hydrogen 2.918 N/A LYS 367.A NZ ASP 318.A OD1 no hydrogen 3.098 N/A LYS 367.A NZ ASP 318.A OD2 no hydrogen 2.996 N/A GLY 368.A N ASN 365.A OD1 no hydrogen 2.886 N/A GLN 369.A N ASN 365.A O no hydrogen 2.962 N/A GLN 369.A NE2 HIS 415.A O no hydrogen 2.954 N/A GLN 369.A NE2 GLN 418.A O no hydrogen 2.958 N/A GLY 370.A N GLN 366.A O no hydrogen 2.984 N/A GLU 371.A N LYS 367.A O no hydrogen 3.002 N/A ILE 372.A N GLY 368.A O no hydrogen 3.094 N/A VAL 373.A N GLN 369.A O no hydrogen 3.092 N/A SER 374.A N GLY 370.A O no hydrogen 2.937 N/A SER 374.A OG GLY 370.A O no hydrogen 3.358 N/A SER 374.A OG GLU 371.A O no hydrogen 3.027 N/A THR 375.A N ILE 372.A O no hydrogen 3.276 N/A THR 375.A OG1 ILE 372.A O no hydrogen 2.746 N/A LEU 376.A N VAL 373.A O no hydrogen 2.762 N/A LEU 377.A N SER 374.A O no hydrogen 3.259 N/A SER 379.A N LEU 377.A O no hydrogen 2.715 N/A SER 379.A OG LEU 377.A O no hydrogen 3.461 N/A ILE 381.A N SER 379.A O no hydrogen 2.644 N/A SER 389.A N GLN 392.A OE1 no hydrogen 3.035 N/A GLY 391.A N THR 375.A OG1 no hydrogen 2.876 N/A GLN 392.A N SER 389.A OG no hydrogen 3.072 N/A LEU 393.A N SER 389.A O no hydrogen 3.100 N/A LEU 394.A N ALA 390.A O no hydrogen 3.080 N/A CYS 395.A N GLY 391.A O no hydrogen 3.012 N/A CYS 395.A SG GLY 391.A O no hydrogen 3.567 N/A GLY 396.A N GLN 392.A O no hydrogen 3.115 N/A GLY 397.A N LEU 393.A O no hydrogen 3.075 N/A LEU 398.A N LEU 394.A O no hydrogen 2.833 N/A PHE 399.A N CYS 395.A O no hydrogen 3.121 N/A SER 400.A N GLY 397.A O no hydrogen 3.422 N/A SER 400.A OG GLY 397.A O no hydrogen 3.557 N/A ASP 402.A N SER 400.A OG no hydrogen 3.114 N/A SER 403.A OG GLN 458.A OE1 no hydrogen 2.855 N/A SER 405.A N ASP 402.A OD2 no hydrogen 3.102 N/A SER 405.A OG VAL 342.A O no hydrogen 3.301 N/A SER 405.A OG ASP 402.A OD2 no hydrogen 2.723 N/A ASN 406.A N ASP 402.A O no hydrogen 2.921 N/A ASN 406.A ND2 GLY 397.A O no hydrogen 2.707 N/A ASN 406.A ND2 SER 400.A O no hydrogen 2.897 N/A TRP 407.A N SER 403.A O no hydrogen 2.821 N/A TRP 407.A NE1 ILE 577.A O no hydrogen 2.904 N/A CYS 408.A N LEU 404.A O no hydrogen 2.906 N/A CYS 408.A SG LEU 404.A O no hydrogen 3.402 N/A ALA 409.A N SER 405.A O no hydrogen 2.920 N/A ALA 410.A N ASN 406.A O no hydrogen 2.990 N/A VAL 411.A N TRP 407.A O no hydrogen 2.861 N/A ALA 412.A N CYS 408.A O no hydrogen 2.799 N/A LEU 413.A N ALA 409.A O no hydrogen 2.947 N/A ALA 414.A N ALA 410.A O no hydrogen 2.883 N/A HIS 415.A N VAL 411.A O no hydrogen 3.011 N/A HIS 415.A NE2 ASP 579.A OD1 no hydrogen 2.856 N/A HIS 415.A NE2 ASP 579.A OD2 no hydrogen 3.109 N/A ALA 416.A N ALA 412.A O no hydrogen 3.189 N/A LEU 417.A N LEU 413.A O no hydrogen 3.166 N/A LEU 417.A N ALA 414.A O no hydrogen 3.125 N/A GLN 418.A N ALA 414.A O no hydrogen 2.899 N/A GLN 418.A NE2 GLU 419.A OE1 no hydrogen 3.426 N/A GLN 418.A NE2 GLU 581.A OE1 no hydrogen 3.131 N/A ASN 420.A N LEU 417.A O no hydrogen 2.907 N/A ASN 420.A ND2 GLN 369.A OE1 no hydrogen 2.900 N/A GLN 423.A N ASN 420.A OD1 no hydrogen 2.906 N/A LYS 424.A N ASN 420.A O no hydrogen 3.119 N/A LYS 424.A NZ THR 469.A O no hydrogen 3.141 N/A LYS 424.A NZ SER 472.A O no hydrogen 2.640 N/A GLU 425.A N ALA 421.A O no hydrogen 3.277 N/A GLN 426.A N THR 422.A O no hydrogen 2.851 N/A LEU 427.A N GLN 423.A O no hydrogen 2.951 N/A LEU 428.A N GLU 425.A O no hydrogen 3.254 N/A ARG 429.A N GLN 426.A O no hydrogen 2.933 N/A ARG 429.A NH1 GLN 426.A OE1 no hydrogen 2.549 N/A VAL 430.A N LEU 427.A O no hydrogen 3.087 N/A GLN 431.A NE2 ARG 429.A O no hydrogen 3.306 N/A LEU 432.A N VAL 441.A O no hydrogen 2.959 N/A THR 434.A OG1 ASN 438.A O no hydrogen 3.198 N/A ASN 438.A N SER 435.A O no hydrogen 3.145 N/A LEU 443.A N VAL 430.A O no hydrogen 2.917 N/A GLN 445.A N SER 442.A OG no hydrogen 2.948 N/A GLN 445.A NE2 ASN 449.A OD1 no hydrogen 2.964 N/A GLN 445.A NE2 ASN 487.A OD1 no hydrogen 2.878 N/A GLN 446.A N SER 442.A O no hydrogen 2.865 N/A CYS 447.A N LEU 443.A O no hydrogen 2.958 N/A CYS 447.A SG LEU 443.A O no hydrogen 3.296 N/A THR 448.A N LEU 444.A O no hydrogen 3.205 N/A THR 448.A OG1 LEU 444.A O no hydrogen 2.974 N/A ASN 449.A N GLN 445.A O no hydrogen 2.648 N/A ASN 449.A ND2 GLN 446.A OE1 no hydrogen 3.570 N/A ILE 450.A N GLN 446.A O no hydrogen 3.099 N/A LEU 451.A N THR 448.A O no hydrogen 3.038 N/A SER 452.A N ASN 449.A O no hydrogen 3.192 N/A SER 452.A OG ASN 449.A O no hydrogen 3.262 N/A GLN 453.A N ILE 450.A O no hydrogen 3.244 N/A SER 455.A OG ILE 450.A O no hydrogen 2.701 N/A GLN 458.A NE2 PRO 573.A O no hydrogen 2.892 N/A GLN 458.A NE2 MET 576.A O no hydrogen 2.879 N/A THR 459.A OG1 ASN 406.A OD1 no hydrogen 2.636 N/A ARG 460.A N LYS 456.A O no hydrogen 3.144 N/A ARG 460.A NE SER 455.A O no hydrogen 2.905 N/A ARG 460.A NE LYS 456.A O no hydrogen 3.461 N/A ARG 460.A NH1 GLU 503.A OE1 no hydrogen 2.826 N/A ARG 460.A NH2 SER 455.A O no hydrogen 3.004 N/A VAL 461.A N ILE 457.A O no hydrogen 2.755 N/A GLY 462.A N GLN 458.A O no hydrogen 3.211 N/A LEU 463.A N THR 459.A O no hydrogen 3.076 N/A LEU 464.A N ARG 460.A O no hydrogen 2.877 N/A MET 465.A N VAL 461.A O no hydrogen 2.921 N/A LEU 466.A N GLY 462.A O no hydrogen 3.058 N/A LEU 467.A N LEU 463.A O no hydrogen 2.918 N/A CYS 468.A N LEU 464.A O no hydrogen 2.920 N/A CYS 468.A SG LEU 464.A O no hydrogen 3.295 N/A THR 469.A N MET 465.A O no hydrogen 3.033 N/A THR 469.A OG1 MET 465.A O no hydrogen 2.740 N/A TRP 470.A N LEU 466.A O no hydrogen 2.852 N/A TRP 470.A NE1 LYS 424.A O no hydrogen 2.999 N/A LEU 471.A N LEU 467.A O no hydrogen 2.957 N/A SER 472.A N CYS 468.A O no hydrogen 2.954 N/A SER 472.A OG THR 469.A O no hydrogen 2.712 N/A CYS 474.A N LEU 471.A O no hydrogen 3.018 N/A VAL 478.A N CYS 474.A O no hydrogen 3.099 N/A THR 479.A N PRO 475.A O no hydrogen 2.944 N/A THR 479.A OG1 PRO 475.A O no hydrogen 3.177 N/A HIS 480.A N ILE 476.A O no hydrogen 3.009 N/A HIS 480.A ND1 ILE 476.A O no hydrogen 3.106 N/A PHE 481.A N ALA 477.A O no hydrogen 2.907 N/A LEU 482.A N VAL 478.A O no hydrogen 2.852 N/A HIS 483.A N THR 479.A O no hydrogen 2.817 N/A ALA 486.A N ASN 484.A OD1 no hydrogen 3.177 N/A ASN 487.A N ASN 484.A O no hydrogen 3.139 N/A ASN 487.A ND2 GLN 445.A OE1 no hydrogen 2.798 N/A ASN 487.A ND2 PHE 481.A O no hydrogen 2.853 N/A PHE 490.A N ALA 486.A O no hydrogen 3.087 N/A LEU 491.A N ASN 487.A O no hydrogen 3.028 N/A THR 492.A N VAL 488.A O no hydrogen 2.930 N/A THR 492.A OG1 VAL 488.A O no hydrogen 3.271 N/A THR 492.A OG1 PRO 489.A O no hydrogen 2.966 N/A GLY 493.A N PRO 489.A O no hydrogen 2.872 N/A GLN 494.A N PHE 490.A O no hydrogen 2.923 N/A ILE 495.A N LEU 491.A O no hydrogen 3.064 N/A ALA 496.A N THR 492.A O no hydrogen 3.025 N/A GLU 497.A N GLY 493.A O no hydrogen 3.334 N/A GLU 502.A N GLU 502.A OE2 no hydrogen 2.750 N/A GLN 504.A N GLU 501.A O no hydrogen 3.106 N/A GLN 507.A N GLU 503.A O no hydrogen 3.190 N/A GLN 507.A NE2 GLN 494.A O no hydrogen 2.912 N/A GLN 507.A NE2 GLU 497.A O no hydrogen 2.703 N/A GLY 508.A N GLN 504.A O no hydrogen 2.819 N/A LEU 509.A N LEU 505.A O no hydrogen 2.987 N/A CYS 510.A N VAL 506.A O no hydrogen 2.851 N/A CYS 510.A SG VAL 506.A O no hydrogen 3.299 N/A ALA 511.A N GLN 507.A O no hydrogen 2.957 N/A LEU 512.A N GLY 508.A O no hydrogen 2.972 N/A LEU 513.A N LEU 509.A O no hydrogen 2.939 N/A LEU 514.A N CYS 510.A O no hydrogen 2.972 N/A GLY 515.A N ALA 511.A O no hydrogen 2.848 N/A ILE 516.A N LEU 512.A O no hydrogen 2.830 N/A SER 517.A N LEU 513.A O no hydrogen 3.128 N/A SER 517.A OG LEU 514.A O no hydrogen 2.797 N/A ILE 518.A N LEU 514.A O no hydrogen 3.210 N/A ILE 518.A N GLY 515.A O no hydrogen 3.022 N/A TYR 519.A N GLY 515.A O no hydrogen 2.827 N/A PHE 520.A N ILE 516.A O no hydrogen 2.992 N/A ASN 521.A N ILE 518.A O no hydrogen 3.149 N/A ASN 521.A ND2 SER 517.A O no hydrogen 3.062 N/A ASN 521.A ND2 TYR 528.A O no hydrogen 2.877 N/A ASN 523.A N ASN 521.A OD1 no hydrogen 2.788 N/A SER 524.A N ASP 522.A OD1 no hydrogen 3.006 N/A SER 524.A OG ASP 522.A OD1 no hydrogen 2.564 N/A SER 524.A OG ASP 522.A OD2 no hydrogen 3.461 N/A TYR 528.A N LEU 525.A O no hydrogen 2.954 N/A LYS 530.A N ASN 523.A OD1 no hydrogen 2.847 N/A LEU 533.A N MET 529.A O no hydrogen 3.066 N/A LYS 534.A N LYS 530.A O no hydrogen 2.935 N/A LYS 534.A NZ ALA 596.A O no hydrogen 3.037 N/A LYS 534.A NZ LYS 599.A O no hydrogen 2.704 N/A GLN 535.A N GLU 531.A O no hydrogen 2.919 N/A LEU 536.A N LYS 532.A O no hydrogen 2.910 N/A ILE 537.A N LEU 533.A O no hydrogen 3.004 N/A GLU 538.A N LYS 534.A O no hydrogen 3.120 N/A LYS 539.A N GLN 535.A O no hydrogen 2.951 N/A LYS 539.A NZ GLU 538.A OE1 no hydrogen 2.939 N/A ARG 540.A N LEU 536.A O no hydrogen 2.880 N/A ARG 540.A NH1 THR 492.A OG1 no hydrogen 3.393 N/A ILE 541.A N ILE 537.A O no hydrogen 2.928 N/A GLY 542.A N ILE 537.A O no hydrogen 2.648 N/A LYS 543.A NZ GLU 538.A OE2 no hydrogen 3.448 N/A LYS 543.A NZ ILE 597.A O no hydrogen 3.173 N/A LYS 543.A NZ LYS 599.A O no hydrogen 3.519 N/A PHE 546.A N GLY 542.A O no hydrogen 2.916 N/A ILE 547.A N LYS 543.A O no hydrogen 3.203 N/A GLU 548.A N GLU 544.A O no hydrogen 3.002 N/A LYS 549.A N ASN 545.A O no hydrogen 3.051 N/A LYS 549.A NZ ASN 545.A OD1 no hydrogen 2.564 N/A LEU 550.A N PHE 546.A O no hydrogen 2.914 N/A GLY 551.A N ILE 547.A O no hydrogen 2.813 N/A PHE 552.A N LYS 549.A O no hydrogen 3.037 N/A LYS 555.A N GLY 551.A O no hydrogen 3.380 N/A LYS 555.A NZ GLY 551.A O no hydrogen 3.303 N/A HIS 556.A N ILE 553.A O no hydrogen 3.157 N/A LEU 558.A N HIS 556.A ND1 no hydrogen 3.067 N/A TYR 559.A N HIS 556.A O no hydrogen 3.238 N/A ALA 562.A N LEU 558.A O no hydrogen 3.199 N/A SER 563.A N TYR 559.A O no hydrogen 2.927 N/A SER 563.A OG TYR 559.A O no hydrogen 3.559 N/A SER 563.A OG SER 560.A O no hydrogen 2.523 N/A GLN 564.A N SER 560.A O no hydrogen 3.258 N/A GLN 564.A N ARG 561.A O no hydrogen 3.215 N/A LYS 565.A N ARG 561.A O no hydrogen 3.141 N/A GLU 574.A N GLU 574.A OE2 no hydrogen 2.994 N/A TYR 575.A N SER 572.A O no hydrogen 2.913 N/A MET 576.A N PRO 573.A O no hydrogen 3.223 N/A HIS 580.A ND1 ALA 562.A O no hydrogen 2.682 N/A PHE 582.A N ASP 579.A OD2 no hydrogen 3.017 N/A THR 583.A N ASP 579.A O no hydrogen 3.122 N/A THR 583.A OG1 HIS 580.A O no hydrogen 2.519 N/A LYS 584.A N HIS 580.A O no hydrogen 3.361 N/A LYS 584.A NZ GLU 581.A OE1 no hydrogen 3.496 N/A LYS 584.A NZ GLU 581.A OE2 no hydrogen 2.759 N/A LEU 585.A N GLU 581.A O no hydrogen 3.226 N/A VAL 586.A N PHE 582.A O no hydrogen 3.057 N/A LYS 587.A N THR 583.A O no hydrogen 2.956 N/A GLU 588.A N LYS 584.A O no hydrogen 2.883 N/A LEU 589.A N LEU 585.A O no hydrogen 2.959 N/A LEU 589.A N VAL 586.A O no hydrogen 3.212 N/A GLU 590.A N VAL 586.A O no hydrogen 2.934 N/A ILE 593.A N LEU 589.A O no hydrogen 2.934 N/A THR 594.A N GLU 590.A O no hydrogen 2.967 N/A THR 594.A OG1 GLU 590.A O no hydrogen 2.697 N/A LYS 595.A N GLY 591.A O no hydrogen 3.057 N/A ALA 596.A N VAL 592.A O no hydrogen 3.008 N/A ILE 597.A N ILE 593.A O no hydrogen 3.009 N/A TYR 598.A N THR 594.A O no hydrogen 3.139 N/A LYS 599.A N LYS 595.A O no hydrogen 3.155 N/A