Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pjr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 51.A OE1 no hydrogen 2.608 N/A MET 1.A N GLU 51.A OE2 no hydrogen 2.587 N/A SER 5.A OG ASN 2.A OD1 no hydrogen 2.912 N/A SER 5.A OG GLU 51.A OE1 no hydrogen 2.709 N/A GLU 6.A N ASN 2.A O no hydrogen 3.036 N/A GLN 7.A N PHE 3.A O no hydrogen 3.425 N/A GLN 7.A N LEU 4.A O no hydrogen 3.084 N/A GLN 7.A NE2 PHE 3.A O no hydrogen 3.103 N/A LEU 8.A N LEU 4.A O no hydrogen 3.354 N/A LEU 8.A N SER 5.A O no hydrogen 3.021 N/A LEU 9.A N SER 5.A O no hydrogen 3.172 N/A ALA 10.A N GLU 6.A O no hydrogen 2.768 N/A HIS 11.A N LEU 9.A O no hydrogen 2.720 N/A LEU 12.A N LEU 9.A O no hydrogen 3.301 N/A ASN 13.A N GLN 16.A OE1 no hydrogen 2.924 N/A ASN 13.A ND2 TYR 283.A OH no hydrogen 2.793 N/A LYS 14.A NZ GLU 15.A OE1 no hydrogen 3.344 N/A LYS 14.A NZ GLU 15.A OE2 no hydrogen 2.956 N/A GLU 15.A N ASN 13.A OD1 no hydrogen 3.001 N/A GLN 16.A N ASN 13.A OD1 no hydrogen 3.002 N/A GLN 16.A NE2 SER 35.A O no hydrogen 3.051 N/A GLN 17.A N ASN 13.A O no hydrogen 2.903 N/A GLU 18.A N LYS 14.A O no hydrogen 3.191 N/A GLU 18.A N GLU 15.A O no hydrogen 3.116 N/A ALA 19.A N GLU 15.A O no hydrogen 3.084 N/A VAL 20.A N GLN 16.A O no hydrogen 3.004 N/A THR 22.A N GLU 18.A O no hydrogen 3.076 N/A THR 22.A OG1 GLU 18.A O no hydrogen 2.989 N/A THR 23.A OG1 GLU 24.A OE2 no hydrogen 2.712 N/A GLY 25.A N ASN 242.A OD1 no hydrogen 3.200 N/A LEU 27.A N ILE 243.A O no hydrogen 2.863 N/A LEU 28.A N LYS 275.A O no hydrogen 2.951 N/A ILE 29.A N ALA 245.A O no hydrogen 2.800 N/A MET 30.A N ILE 277.A O no hydrogen 2.910 N/A ALA 31.A N GLY 247.A O no hydrogen 2.944 N/A GLY 32.A N LEU 279.A O no hydrogen 3.065 N/A SER 35.A N GLY 32.A O no hydrogen 3.231 N/A SER 35.A OG GLY 32.A O no hydrogen 2.694 N/A LYS 37.A NZ ASP 220.A OD2 no hydrogen 3.214 N/A LYS 37.A NZ GLU 221.A OE2 no hydrogen 3.192 N/A ARG 39.A NH2 HIS 11.A O no hydrogen 2.711 N/A VAL 40.A N GLY 36.A O no hydrogen 3.296 N/A LEU 41.A N LYS 37.A O no hydrogen 3.001 N/A THR 42.A N THR 38.A O no hydrogen 2.827 N/A THR 42.A OG1 THR 38.A O no hydrogen 2.907 N/A THR 42.A OG1 ARG 39.A O no hydrogen 3.333 N/A HIS 43.A N ARG 39.A O no hydrogen 2.968 N/A HIS 43.A ND1 LEU 8.A O no hydrogen 2.880 N/A ARG 44.A N VAL 40.A O no hydrogen 2.939 N/A ARG 44.A NE THR 22.A O no hydrogen 3.105 N/A ARG 44.A NH1 HIS 218.A NE2 no hydrogen 3.338 N/A ARG 44.A NH2 THR 22.A O no hydrogen 2.625 N/A ILE 45.A N LEU 41.A O no hydrogen 3.231 N/A ALA 46.A N THR 42.A O no hydrogen 3.004 N/A TYR 47.A N HIS 43.A O no hydrogen 2.763 N/A LEU 48.A N ARG 44.A O no hydrogen 2.954 N/A MET 49.A N ILE 45.A O no hydrogen 3.366 N/A ALA 50.A N ALA 46.A O no hydrogen 2.924 N/A GLU 51.A N TYR 47.A O no hydrogen 2.920 N/A LYS 52.A N TYR 47.A O no hydrogen 3.183 N/A LYS 52.A NZ THR 23.A OG1 no hydrogen 3.281 N/A LYS 52.A NZ GLU 24.A OE2 no hydrogen 2.695 N/A HIS 53.A N MET 49.A O no hydrogen 2.999 N/A VAL 54.A N LEU 48.A O no hydrogen 3.040 N/A ASN 58.A N ALA 55.A O no hydrogen 3.022 N/A ASN 58.A ND2 LYS 213.A O no hydrogen 2.905 N/A LEU 60.A N TYR 216.A O no hydrogen 2.927 N/A ALA 61.A N TRP 88.A O no hydrogen 2.867 N/A ILE 62.A N HIS 218.A O no hydrogen 2.736 N/A THR 63.A N SER 90.A O no hydrogen 3.007 N/A LYS 67.A NZ GLU 71.A OE1 no hydrogen 3.355 N/A ALA 69.A N THR 65.A O no hydrogen 3.154 N/A ARG 70.A N ASN 66.A O no hydrogen 2.942 N/A GLU 71.A N LYS 67.A O no hydrogen 2.758 N/A MET 72.A N ALA 68.A O no hydrogen 3.037 N/A ARG 73.A N ALA 69.A O no hydrogen 2.969 N/A ARG 73.A NE ALA 84.A O no hydrogen 3.434 N/A ARG 73.A NH2 ALA 84.A O no hydrogen 2.728 N/A ARG 73.A NH2 VAL 87.A O no hydrogen 2.614 N/A GLU 74.A N ARG 70.A O no hydrogen 2.996 N/A ARG 75.A N GLU 71.A O no hydrogen 2.936 N/A VAL 76.A N MET 72.A O no hydrogen 2.969 N/A GLN 77.A N ARG 73.A O no hydrogen 2.969 N/A SER 78.A N GLU 74.A O no hydrogen 3.064 N/A SER 78.A OG GLU 74.A O no hydrogen 2.947 N/A LEU 80.A N VAL 76.A O no hydrogen 2.956 N/A GLY 81.A N GLN 77.A O no hydrogen 2.844 N/A ALA 84.A N GLY 81.A O no hydrogen 3.111 N/A GLU 85.A N GLY 82.A O no hydrogen 3.341 N/A TRP 88.A N ILE 59.A O no hydrogen 3.287 N/A SER 90.A N ALA 61.A O no hydrogen 3.052 N/A SER 94.A N THR 91.A OG1 no hydrogen 3.285 N/A SER 94.A OG THR 91.A OG1 no hydrogen 2.753 N/A MET 95.A N THR 91.A O no hydrogen 3.170 N/A CYS 96.A N PHE 92.A O no hydrogen 3.266 N/A CYS 96.A SG PHE 92.A O no hydrogen 3.378 N/A VAL 97.A N HIS 93.A O no hydrogen 2.906 N/A ARG 98.A N SER 94.A O no hydrogen 3.213 N/A ILE 99.A N MET 95.A O no hydrogen 2.910 N/A LEU 100.A N CYS 96.A O no hydrogen 2.912 N/A ARG 101.A N VAL 97.A O no hydrogen 2.910 N/A ARG 101.A NH1 ARG 111.A O no hydrogen 2.633 N/A ARG 101.A NH1 PHE 113.A O no hydrogen 2.879 N/A ARG 101.A NH2 PHE 113.A O no hydrogen 2.853 N/A ARG 102.A N ILE 99.A O no hydrogen 3.411 N/A ARG 102.A NH1 ASP 103.A OD2 no hydrogen 2.879 N/A ASP 103.A N LEU 100.A O no hydrogen 3.246 N/A ILE 104.A N LEU 100.A O no hydrogen 2.841 N/A ARG 106.A N ASP 103.A O no hydrogen 3.198 N/A ARG 106.A NE ASP 103.A OD1 no hydrogen 3.024 N/A ARG 106.A NH2 ASP 103.A OD1 no hydrogen 2.731 N/A ILE 107.A N ILE 104.A O no hydrogen 2.974 N/A GLY 108.A N ASP 105.A O no hydrogen 3.082 N/A ARG 111.A NH1 ARG 102.A O no hydrogen 3.240 N/A PHE 113.A N ASN 110.A O no hydrogen 2.961 N/A SER 114.A N HIS 185.A O no hydrogen 3.222 N/A SER 114.A OG SER 186.A OG no hydrogen 3.384 N/A LEU 116.A N LEU 187.A O no hydrogen 2.829 N/A ASP 117.A N ASP 120.A OD2 no hydrogen 2.911 N/A THR 119.A N ASP 117.A OD1 no hydrogen 2.878 N/A THR 119.A OG1 ASP 117.A OD1 no hydrogen 2.918 N/A GLN 121.A N ASP 117.A O no hydrogen 2.989 N/A SER 123.A N THR 119.A O no hydrogen 2.866 N/A SER 123.A OG THR 119.A O no hydrogen 3.032 N/A VAL 124.A N ASP 120.A O no hydrogen 2.952 N/A MET 125.A N GLN 121.A O no hydrogen 3.045 N/A LYS 126.A N LEU 122.A O no hydrogen 2.918 N/A THR 127.A N SER 123.A O no hydrogen 2.955 N/A THR 127.A OG1 SER 123.A O no hydrogen 3.047 N/A ILE 128.A N VAL 124.A O no hydrogen 3.073 N/A LEU 129.A N MET 125.A O no hydrogen 3.048 N/A LYS 130.A N LYS 126.A O no hydrogen 2.711 N/A GLU 131.A N THR 127.A O no hydrogen 2.886 N/A LYS 132.A N LEU 129.A O no hydrogen 2.875 N/A ASN 133.A N LEU 129.A O no hydrogen 2.931 N/A LYS 137.A NZ GLU 480.A OE2 no hydrogen 2.566 N/A PHE 139.A N ASP 135.A O no hydrogen 2.778 N/A ARG 142.A NH2 PRO 118.A O no hydrogen 3.408 N/A THR 143.A N GLU 140.A OE1 no hydrogen 2.915 N/A THR 143.A OG1 GLU 140.A OE1 no hydrogen 3.080 N/A THR 143.A OG1 GLU 485.A O no hydrogen 2.631 N/A ILE 144.A N GLU 140.A O no hydrogen 3.092 N/A LEU 145.A N PRO 141.A O no hydrogen 3.087 N/A GLY 146.A N ARG 142.A O no hydrogen 3.328 N/A THR 147.A N THR 143.A O no hydrogen 3.188 N/A THR 147.A OG1 THR 143.A O no hydrogen 3.290 N/A ILE 148.A N ILE 144.A O no hydrogen 3.031 N/A SER 149.A N LEU 145.A O no hydrogen 2.867 N/A SER 149.A OG ASP 190.A OD1 no hydrogen 3.272 N/A SER 149.A OG ASP 190.A OD2 no hydrogen 2.886 N/A ALA 150.A N GLY 146.A O no hydrogen 3.132 N/A ALA 151.A N THR 147.A O no hydrogen 3.058 N/A LYS 152.A N ILE 148.A O no hydrogen 2.987 N/A LYS 152.A NZ GLN 178.A OE1 no hydrogen 3.203 N/A LYS 152.A NZ ASP 188.A OD1 no hydrogen 2.879 N/A LYS 152.A NZ ASP 188.A OD2 no hydrogen 2.611 N/A LYS 152.A NZ ASP 191.A OD1 no hydrogen 2.739 N/A LYS 152.A NZ ASP 191.A OD2 no hydrogen 3.043 N/A ASN 153.A N SER 149.A O no hydrogen 2.845 N/A GLU 154.A N ALA 150.A O no hydrogen 3.189 N/A GLU 154.A N ALA 151.A O no hydrogen 2.961 N/A LEU 155.A N LYS 152.A O no hydrogen 2.883 N/A LEU 156.A N ALA 151.A O no hydrogen 2.873 N/A GLN 160.A N PRO 157.A O no hydrogen 2.912 N/A PHE 161.A N PRO 157.A O no hydrogen 3.088 N/A ALA 162.A N PRO 158.A O no hydrogen 2.877 N/A LYS 163.A N GLN 160.A O no hydrogen 3.281 N/A ARG 164.A NH1 GLN 160.A O no hydrogen 2.617 N/A LYS 168.A N TYR 165.A O no hydrogen 2.859 N/A VAL 170.A N TYR 166.A O no hydrogen 3.053 N/A SER 171.A N GLU 167.A O no hydrogen 2.828 N/A SER 171.A OG GLU 167.A O no hydrogen 2.762 N/A SER 171.A OG LYS 168.A O no hydrogen 3.131 N/A ASP 172.A N LYS 168.A O no hydrogen 2.765 N/A VAL 173.A N VAL 169.A O no hydrogen 2.837 N/A TYR 174.A N VAL 170.A O no hydrogen 2.727 N/A TYR 174.A OH LEU 156.A O no hydrogen 2.725 N/A GLN 175.A N SER 171.A O no hydrogen 3.152 N/A GLU 176.A N ASP 172.A O no hydrogen 3.168 N/A TYR 177.A N VAL 173.A O no hydrogen 2.923 N/A TYR 177.A OH ASP 188.A OD2 no hydrogen 2.822 N/A GLN 178.A N TYR 174.A O no hydrogen 3.044 N/A GLN 178.A NE2 ASP 191.A OD1 no hydrogen 3.463 N/A GLN 179.A N GLN 175.A O no hydrogen 3.355 N/A ARG 180.A N GLU 176.A O no hydrogen 2.875 N/A ARG 180.A NH1 GLU 176.A OE1 no hydrogen 2.706 N/A ARG 180.A NH2 GLU 131.A OE1 no hydrogen 2.726 N/A LEU 181.A N TYR 177.A O no hydrogen 3.101 N/A LEU 182.A N GLN 178.A O no hydrogen 2.926 N/A ARG 183.A N GLN 179.A O no hydrogen 2.998 N/A ASN 184.A N ARG 180.A O no hydrogen 3.378 N/A HIS 185.A N LEU 182.A O no hydrogen 2.892 N/A SER 186.A N LEU 181.A O no hydrogen 2.947 N/A SER 186.A OG SER 114.A OG no hydrogen 3.384 N/A SER 186.A OG ASN 184.A O no hydrogen 3.292 N/A LEU 187.A N SER 114.A O no hydrogen 2.902 N/A ASP 188.A N ASP 191.A OD2 no hydrogen 3.028 N/A ASP 191.A N ASP 188.A O no hydrogen 3.241 N/A ASP 191.A N ASP 188.A OD1 no hydrogen 2.932 N/A LEU 192.A N PHE 189.A O no hydrogen 3.345 N/A THR 195.A N ASP 191.A O no hydrogen 2.744 N/A THR 195.A OG1 ASP 191.A O no hydrogen 2.854 N/A ILE 197.A N ILE 193.A O no hydrogen 3.068 N/A GLN 198.A N MET 194.A O no hydrogen 3.003 N/A LEU 199.A N THR 195.A O no hydrogen 2.856 N/A PHE 200.A N THR 196.A O no hydrogen 3.012 N/A ASP 201.A N ILE 197.A O no hydrogen 3.032 N/A ARG 202.A N GLN 198.A O no hydrogen 2.883 N/A VAL 203.A N LEU 199.A O no hydrogen 2.873 N/A VAL 206.A N VAL 203.A O no hydrogen 3.033 N/A HIS 208.A N PRO 204.A O no hydrogen 3.006 N/A TYR 209.A N ASP 205.A O no hydrogen 3.273 N/A TYR 210.A N VAL 206.A O no hydrogen 3.269 N/A GLN 211.A N LEU 207.A O no hydrogen 2.884 N/A TYR 212.A N HIS 208.A O no hydrogen 3.249 N/A LYS 213.A N TYR 209.A O no hydrogen 3.041 N/A LYS 213.A NZ TRP 57.A O no hydrogen 2.604 N/A PHE 214.A N TYR 210.A O no hydrogen 2.990 N/A GLN 215.A N ASN 58.A O no hydrogen 2.804 N/A TYR 216.A N ASN 58.A O no hydrogen 3.175 N/A TYR 216.A OH GLU 24.A OE1 no hydrogen 2.849 N/A ILE 217.A N ASN 242.A O no hydrogen 2.949 N/A HIS 218.A N LEU 60.A O no hydrogen 2.841 N/A HIS 218.A ND1 LEU 60.A O no hydrogen 3.031 N/A ILE 219.A N CYS 244.A O no hydrogen 3.014 N/A ASP 220.A N ILE 62.A O no hydrogen 2.906 N/A TYR 222.A N VAL 246.A O no hydrogen 2.811 N/A GLN 223.A N GLN 223.A OE1 no hydrogen 2.807 N/A GLN 223.A NE2 GLU 221.A OE1 no hydrogen 2.877 N/A GLN 223.A NE2 ASP 224.A OD1 no hydrogen 3.255 N/A ASP 224.A N GLU 221.A O no hydrogen 2.925 N/A ASN 226.A N GLN 229.A OE1 no hydrogen 3.022 N/A ALA 228.A N ASN 153.A O no hydrogen 3.174 N/A GLN 229.A N ASN 226.A OD1 no hydrogen 2.966 N/A TYR 230.A N ASN 226.A O no hydrogen 2.974 N/A TYR 230.A OH ASP 270.A OD1 no hydrogen 3.226 N/A TYR 230.A OH ASP 270.A OD2 no hydrogen 2.935 N/A THR 231.A N ARG 227.A O no hydrogen 2.994 N/A THR 231.A OG1 ARG 227.A O no hydrogen 2.864 N/A LEU 232.A N ALA 228.A O no hydrogen 3.041 N/A VAL 233.A N GLN 229.A O no hydrogen 3.101 N/A LYS 234.A N TYR 230.A O no hydrogen 3.043 N/A LYS 235.A N THR 231.A O no hydrogen 2.957 N/A LYS 235.A NZ ASP 201.A OD1 no hydrogen 2.563 N/A LYS 235.A NZ ASP 201.A OD2 no hydrogen 3.527 N/A LEU 236.A N LEU 232.A O no hydrogen 3.206 N/A ALA 237.A N VAL 233.A O no hydrogen 2.901 N/A GLU 238.A N LYS 234.A O no hydrogen 3.038 N/A GLN 241.A N ALA 237.A O no hydrogen 2.871 N/A ASN 242.A ND2 GLN 215.A O no hydrogen 3.031 N/A CYS 244.A N ILE 217.A O no hydrogen 3.021 N/A ALA 245.A N LEU 27.A O no hydrogen 2.984 N/A VAL 246.A N ILE 219.A O no hydrogen 3.023 N/A GLY 247.A N ILE 29.A O no hydrogen 3.154 N/A ASP 248.A N GLN 223.A OE1 no hydrogen 3.144 N/A ASP 250.A N ASP 248.A OD1 no hydrogen 3.146 N/A GLN 251.A N ASP 248.A O no hydrogen 3.133 N/A GLN 251.A NE2 ASP 248.A OD2 no hydrogen 2.915 N/A SER 252.A N ALA 249.A O no hydrogen 3.264 N/A SER 252.A OG ALA 249.A O no hydrogen 3.442 N/A ARG 255.A N GLU 571.A OE2 no hydrogen 2.982 N/A ARG 255.A NE GLU 568.A OE1 no hydrogen 2.770 N/A ARG 255.A NH2 GLU 568.A OE1 no hydrogen 2.861 N/A TRP 256.A NE1 ILE 253.A O no hydrogen 3.177 N/A ARG 257.A N TYR 254.A O no hydrogen 2.867 N/A GLY 258.A N ARG 255.A O no hydrogen 3.032 N/A ALA 259.A N TYR 254.A O no hydrogen 3.392 N/A ASP 260.A N THR 225.A O no hydrogen 2.970 N/A GLN 262.A N ASP 260.A OD1 no hydrogen 2.959 N/A GLN 262.A NE2 ASN 302.A OD1 no hydrogen 2.960 N/A ASN 263.A N ASP 260.A O no hydrogen 3.382 N/A LEU 265.A N ILE 261.A O no hydrogen 3.503 N/A SER 266.A N ASN 263.A O no hydrogen 3.130 N/A SER 266.A OG GLN 262.A O no hydrogen 2.830 N/A PHE 267.A N ILE 264.A O no hydrogen 3.401 N/A ARG 269.A N SER 266.A O no hydrogen 2.803 N/A ASP 270.A N SER 266.A O no hydrogen 3.013 N/A TYR 271.A N PHE 267.A O no hydrogen 2.884 N/A ALA 274.A N TYR 271.A O no hydrogen 2.820 N/A LYS 275.A N PRO 26.A O no hydrogen 3.034 N/A LYS 275.A NZ GLU 18.A OE2 no hydrogen 2.831 N/A LYS 275.A NZ THR 22.A OG1 no hydrogen 3.352 N/A ILE 277.A N LEU 28.A O no hydrogen 3.090 N/A LEU 279.A N MET 30.A O no hydrogen 2.914 N/A ASN 282.A N TRP 309.A O no hydrogen 2.845 N/A ASN 282.A ND2 ALA 33.A O no hydrogen 2.636 N/A TYR 283.A N GLY 34.A O no hydrogen 3.009 N/A ARG 284.A N ASN 282.A OD1 no hydrogen 2.795 N/A ARG 284.A NE THR 581.A O no hydrogen 3.176 N/A ARG 284.A NH1 GLU 543.A OE2 no hydrogen 2.750 N/A ARG 284.A NH2 THR 581.A O no hydrogen 3.002 N/A SER 285.A N ASN 282.A OD1 no hydrogen 2.910 N/A SER 285.A OG ALA 583.A O no hydrogen 2.782 N/A THR 286.A N GLU 584.A O no hydrogen 3.215 N/A THR 286.A OG1 GLU 584.A O no hydrogen 3.496 N/A LYS 287.A N PRO 313.A O no hydrogen 2.900 N/A LYS 287.A NZ THR 310.A O no hydrogen 3.528 N/A LYS 287.A NZ ASN 312.A O no hydrogen 2.734 N/A ARG 288.A N GLU 314.A O no hydrogen 3.044 N/A ARG 288.A NE GLY 315.A O no hydrogen 3.069 N/A ARG 288.A NH2 GLY 315.A O no hydrogen 2.961 N/A LEU 290.A N THR 286.A O no hydrogen 3.196 N/A GLN 291.A N LYS 287.A O no hydrogen 3.091 N/A ALA 292.A N ARG 288.A O no hydrogen 3.103 N/A ALA 293.A N ILE 289.A O no hydrogen 2.939 N/A ASN 294.A N LEU 290.A O no hydrogen 2.877 N/A ASN 294.A ND2 ILE 308.A O no hydrogen 2.867 N/A GLU 295.A N GLN 291.A O no hydrogen 3.105 N/A VAL 296.A N ALA 292.A O no hydrogen 2.941 N/A ILE 297.A N ALA 293.A O no hydrogen 3.085 N/A GLU 298.A N ASN 294.A O no hydrogen 3.156 N/A HIS 299.A N VAL 296.A O no hydrogen 3.076 N/A HIS 299.A ND1 VAL 296.A O no hydrogen 3.017 N/A ASN 300.A N ILE 297.A O no hydrogen 2.960 N/A VAL 301.A N GLU 570.A OE2 no hydrogen 2.866 N/A ASN 302.A N GLU 570.A OE1 no hydrogen 3.233 N/A ASN 302.A ND2 GLU 570.A OE1 no hydrogen 3.124 N/A ARG 303.A NE ASP 250.A OD1 no hydrogen 2.873 N/A ARG 303.A NE ASP 250.A OD2 no hydrogen 3.356 N/A ARG 303.A NH1 GLU 298.A OE2 no hydrogen 2.894 N/A ARG 303.A NH2 ASP 250.A OD2 no hydrogen 2.831 N/A ARG 303.A NH2 LYS 306.A O no hydrogen 3.442 N/A LYS 304.A NZ GLU 268.A OE1 no hydrogen 3.398 N/A LYS 306.A NZ ASP 248.A OD1 no hydrogen 2.598 N/A LYS 306.A NZ ASP 250.A OD2 no hydrogen 2.609 N/A ARG 307.A N GLU 280.A OE2 no hydrogen 2.915 N/A ARG 307.A NE GLU 298.A OE1 no hydrogen 2.891 N/A ARG 307.A NH1 GLU 295.A OE2 no hydrogen 3.316 N/A ARG 307.A NH2 GLU 295.A OE2 no hydrogen 2.792 N/A ARG 307.A NH2 GLU 298.A OE1 no hydrogen 2.716 N/A ILE 308.A N ASN 294.A OD1 no hydrogen 2.928 N/A TRP 309.A N GLU 280.A O no hydrogen 3.080 N/A THR 310.A OG1 ASN 282.A O no hydrogen 3.056 N/A THR 310.A OG1 SER 285.A O no hydrogen 3.412 N/A ASN 312.A N THR 310.A OG1 no hydrogen 3.040 N/A LYS 316.A NZ GLU 586.A OE2 no hydrogen 2.737 N/A ILE 318.A N LEU 617.A O no hydrogen 2.971 N/A LEU 319.A N LEU 587.A O no hydrogen 3.328 N/A TYR 320.A N GLU 619.A O no hydrogen 2.854 N/A TYR 320.A OH SER 591.A OG no hydrogen 2.842 N/A TYR 321.A N LEU 589.A O no hydrogen 2.800 N/A TYR 321.A OH ASP 328.A OD1 no hydrogen 3.038 N/A TYR 321.A OH ASP 328.A OD2 no hydrogen 3.366 N/A ALA 323.A N SER 591.A O no hydrogen 2.942 N/A MET 324.A N ASP 328.A OD2 no hydrogen 2.862 N/A ASP 328.A N ASN 325.A OD1 no hydrogen 2.926 N/A GLU 329.A N ASN 325.A O no hydrogen 3.082 N/A ALA 330.A N GLU 326.A O no hydrogen 3.002 N/A GLN 331.A N ALA 327.A O no hydrogen 2.876 N/A GLN 331.A NE2 ALA 327.A O no hydrogen 3.405 N/A PHE 332.A N ASP 328.A O no hydrogen 2.841 N/A VAL 333.A N GLU 329.A O no hydrogen 3.225 N/A ALA 334.A N ALA 330.A O no hydrogen 3.095 N/A GLY 335.A N GLN 331.A O no hydrogen 2.877 N/A ARG 336.A N PHE 332.A O no hydrogen 2.921 N/A ARG 336.A NH1 GLU 586.A OE1 no hydrogen 2.853 N/A ARG 336.A NH2 GLU 586.A OE1 no hydrogen 3.007 N/A ILE 337.A N VAL 333.A O no hydrogen 3.139 N/A ARG 338.A N ALA 334.A O no hydrogen 2.937 N/A GLU 339.A N GLY 335.A O no hydrogen 2.952 N/A ALA 340.A N ARG 336.A O no hydrogen 3.080 N/A VAL 341.A N ILE 337.A O no hydrogen 3.276 N/A VAL 341.A N ARG 338.A O no hydrogen 3.043 N/A GLU 342.A N ARG 338.A O no hydrogen 3.004 N/A ARG 343.A N VAL 341.A O no hydrogen 2.676 N/A ARG 343.A NH2 GLU 345.A OE1 no hydrogen 2.678 N/A GLY 344.A N VAL 341.A O no hydrogen 3.035 N/A ARG 346.A N ALA 340.A O no hydrogen 3.155 N/A ARG 346.A NH1 GLU 585.A OE1 no hydrogen 2.874 N/A ARG 346.A NH1 GLU 585.A OE2 no hydrogen 3.042 N/A ARG 346.A NH2 GLU 585.A OE1 no hydrogen 2.721 N/A ARG 346.A NH2 GLU 586.A OE2 no hydrogen 2.707 N/A ARG 347.A N ASP 350.A OD2 no hydrogen 2.976 N/A ARG 349.A N ASP 529.A OD1 no hydrogen 2.841 N/A ASP 350.A N ARG 347.A O no hydrogen 3.327 N/A PHE 351.A N TYR 348.A O no hydrogen 3.258 N/A ALA 352.A N VAL 546.A O no hydrogen 3.151 N/A VAL 353.A N MET 532.A O no hydrogen 2.947 N/A LEU 354.A N PHE 548.A O no hydrogen 2.868 N/A TYR 355.A N MET 534.A O no hydrogen 3.392 N/A ARG 356.A NE GLU 572.A OE1 no hydrogen 2.927 N/A ARG 356.A NE GLU 572.A OE2 no hydrogen 3.256 N/A ARG 356.A NH1 ARG 356.A O no hydrogen 3.140 N/A ARG 356.A NH2 GLU 572.A OE2 no hydrogen 2.769 N/A THR 357.A N GLN 360.A OE1 no hydrogen 2.973 N/A THR 357.A OG1 GLN 360.A OE1 no hydrogen 3.165 N/A GLN 360.A N THR 357.A O no hydrogen 3.340 N/A SER 361.A N ASN 358.A O no hydrogen 3.044 N/A SER 361.A OG ASN 358.A O no hydrogen 2.917 N/A SER 361.A OG GLU 365.A OE2 no hydrogen 2.807 N/A ARG 362.A N ALA 359.A O no hydrogen 3.139 N/A ARG 362.A NE GLU 366.A OE2 no hydrogen 2.875 N/A ARG 362.A NH1 GLU 499.A OE1 no hydrogen 2.706 N/A ARG 362.A NH2 GLU 366.A OE1 no hydrogen 3.096 N/A ARG 362.A NH2 GLU 366.A OE2 no hydrogen 2.957 N/A GLU 365.A N SER 361.A O no hydrogen 2.713 N/A GLU 366.A N ARG 362.A O no hydrogen 3.009 N/A MET 367.A N VAL 363.A O no hydrogen 3.288 N/A LEU 368.A N MET 364.A O no hydrogen 3.065 N/A LEU 369.A N GLU 365.A O no hydrogen 2.914 N/A LYS 370.A N GLU 366.A O no hydrogen 2.970 N/A ALA 371.A N MET 367.A O no hydrogen 3.085 N/A ASN 372.A N LEU 369.A O no hydrogen 3.311 N/A ASN 372.A ND2 LYS 370.A O no hydrogen 3.664 N/A ILE 373.A N LEU 368.A O no hydrogen 2.960 N/A TYR 375.A OH GLU 365.A OE1 no hydrogen 2.919 N/A GLN 376.A N VAL 531.A O no hydrogen 2.986 N/A VAL 378.A N LEU 533.A O no hydrogen 2.781 N/A PHE 383.A N GLU 365.A OE1 no hydrogen 3.043 N/A PHE 383.A N GLU 365.A OE2 no hydrogen 3.136 N/A ARG 386.A N PHE 383.A O no hydrogen 3.111 N/A ARG 386.A NE LEU 381.A O no hydrogen 2.920 N/A ARG 386.A NE LYS 382.A O no hydrogen 3.139 N/A ARG 386.A NH1 ASN 358.A O no hydrogen 2.838 N/A ARG 386.A NH1 SER 361.A OG no hydrogen 3.223 N/A ARG 386.A NH2 SER 361.A OG no hydrogen 2.757 N/A ARG 386.A NH2 LEU 381.A O no hydrogen 2.782 N/A LYS 387.A NZ ASP 391.A OD2 no hydrogen 2.755 N/A GLU 388.A N GLU 388.A OE1 no hydrogen 2.922 N/A ILE 389.A N ARG 386.A O no hydrogen 3.284 N/A LYS 390.A N ARG 386.A O no hydrogen 2.987 N/A ASP 391.A N LYS 387.A O no hydrogen 2.835 N/A ILE 392.A N GLU 388.A O no hydrogen 3.187 N/A LEU 393.A N ILE 389.A O no hydrogen 2.947 N/A ALA 394.A N LYS 390.A O no hydrogen 3.051 N/A TYR 395.A N ASP 391.A O no hydrogen 3.130 N/A TYR 395.A OH VAL 414.A O no hydrogen 2.620 N/A LEU 396.A N ILE 392.A O no hydrogen 2.974 N/A ARG 397.A N LEU 393.A O no hydrogen 2.812 N/A VAL 398.A N ALA 394.A O no hydrogen 2.986 N/A ILE 399.A N TYR 395.A O no hydrogen 3.059 N/A ALA 400.A N LEU 396.A O no hydrogen 3.187 N/A ALA 400.A N ARG 397.A O no hydrogen 3.052 N/A ASN 401.A N ARG 397.A O no hydrogen 2.951 N/A ASP 404.A N ASN 401.A O no hydrogen 3.175 N/A SER 407.A N ASP 404.A OD1 no hydrogen 2.942 N/A SER 407.A OG ASP 404.A OD2 no hydrogen 2.916 N/A LEU 408.A N ASP 404.A O no hydrogen 2.965 N/A LEU 409.A N ASP 405.A O no hydrogen 2.869 N/A ARG 410.A N LEU 406.A O no hydrogen 3.021 N/A ARG 410.A NE ASP 391.A OD1 no hydrogen 2.821 N/A ARG 410.A NH2 ASP 391.A OD1 no hydrogen 2.656 N/A ILE 411.A N SER 407.A O no hydrogen 3.140 N/A ASN 413.A ND2 ILE 412.A O no hydrogen 3.127 N/A ASN 413.A ND2 SER 422.A O no hydrogen 3.232 N/A VAL 414.A N ILE 411.A O no hydrogen 3.383 N/A ARG 417.A N SER 422.A OG no hydrogen 3.256 N/A ARG 417.A NE SER 422.A OG no hydrogen 2.886 N/A ARG 417.A NH2 ILE 411.A O no hydrogen 3.393 N/A ARG 417.A NH2 ILE 412.A O no hydrogen 2.841 N/A ILE 424.A N ASN 413.A OD1 no hydrogen 3.052 N/A LEU 426.A N ASP 405.A OD1 no hydrogen 2.622 N/A LEU 430.A N LEU 426.A O no hydrogen 3.465 N/A GLY 431.A N GLU 428.A O no hydrogen 2.649 N/A GLU 432.A N GLU 428.A O no hydrogen 3.218 N/A ALA 442.A N GLY 439.A O no hydrogen 2.951 N/A GLY 444.A N LYS 441.A O no hydrogen 3.149 N/A ALA 445.A N LYS 441.A O no hydrogen 2.799 N/A ALA 448.A N GLY 444.A O no hydrogen 2.965 N/A ARG 450.A N LEU 446.A O no hydrogen 2.817 N/A ARG 450.A NE PHE 427.A O no hydrogen 3.424 N/A ARG 450.A NH1 GLU 454.A OE2 no hydrogen 2.746 N/A ARG 450.A NH2 PHE 427.A O no hydrogen 2.853 N/A SER 451.A N ALA 447.A O no hydrogen 2.906 N/A GLN 452.A N ALA 448.A O no hydrogen 2.907 N/A LEU 453.A N PHE 449.A O no hydrogen 3.098 N/A GLU 454.A N ARG 450.A O no hydrogen 2.890 N/A GLN 455.A N SER 451.A O no hydrogen 3.024 N/A TRP 456.A N GLN 452.A O no hydrogen 2.921 N/A THR 457.A N LEU 453.A O no hydrogen 3.018 N/A THR 457.A OG1 LEU 453.A O no hydrogen 2.830 N/A GLN 458.A N GLU 454.A O no hydrogen 3.063 N/A LEU 459.A N GLN 455.A O no hydrogen 2.891 N/A GLN 460.A N TRP 456.A O no hydrogen 3.207 N/A GLU 461.A N GLN 458.A O no hydrogen 3.149 N/A TYR 462.A N LEU 459.A O no hydrogen 3.184 N/A SER 464.A N GLU 467.A OE1 no hydrogen 3.044 N/A SER 464.A OG GLU 467.A OE1 no hydrogen 2.890 N/A THR 466.A N GLU 508.A OE1 no hydrogen 3.205 N/A THR 466.A OG1 THR 504.A OG1 no hydrogen 2.864 N/A THR 466.A OG1 GLU 508.A OE1 no hydrogen 2.947 N/A THR 466.A OG1 GLU 508.A OE2 no hydrogen 3.297 N/A GLU 467.A N SER 464.A OG no hydrogen 3.125 N/A LEU 468.A N SER 464.A O no hydrogen 2.786 N/A VAL 469.A N VAL 465.A O no hydrogen 2.883 N/A GLU 470.A N THR 466.A O no hydrogen 2.974 N/A GLU 471.A N GLU 467.A O no hydrogen 2.848 N/A VAL 472.A N LEU 468.A O no hydrogen 2.854 N/A LEU 473.A N VAL 469.A O no hydrogen 3.075 N/A ASP 474.A N GLU 470.A O no hydrogen 3.066 N/A LYS 475.A N GLU 471.A O no hydrogen 2.938 N/A LYS 475.A NZ ASP 474.A OD1 no hydrogen 2.498 N/A SER 476.A N VAL 472.A O no hydrogen 2.827 N/A SER 476.A OG VAL 472.A O no hydrogen 2.948 N/A GLY 477.A N ASP 474.A O no hydrogen 3.046 N/A TYR 478.A N SER 476.A OG no hydrogen 3.169 N/A TYR 478.A OH ASP 391.A OD2 no hydrogen 2.630 N/A ARG 479.A N LEU 473.A O no hydrogen 3.057 N/A ARG 479.A NH1 GLU 470.A OE1 no hydrogen 2.739 N/A ARG 479.A NH2 ASP 498.A OD1 no hydrogen 3.559 N/A MET 481.A N GLY 477.A O no hydrogen 3.120 N/A LEU 482.A N TYR 478.A O no hydrogen 3.383 N/A LYS 483.A N ARG 479.A O no hydrogen 2.928 N/A ALA 484.A N GLU 480.A O no hydrogen 2.762 N/A ALA 484.A N MET 481.A O no hydrogen 3.086 N/A GLU 485.A N MET 481.A O no hydrogen 3.340 N/A ARG 486.A NH1 LYS 138.A O no hydrogen 3.377 N/A THR 487.A OG1 GLU 485.A OE1 no hydrogen 2.806 N/A ALA 490.A N THR 487.A OG1 no hydrogen 3.391 N/A GLN 491.A N THR 487.A O no hydrogen 3.177 N/A GLN 491.A NE2 GLU 495.A OE2 no hydrogen 2.796 N/A SER 492.A N ILE 488.A O no hydrogen 3.037 N/A ARG 493.A N GLU 489.A O no hydrogen 2.969 N/A ARG 493.A NH1 GLU 388.A OE1 no hydrogen 2.661 N/A LEU 494.A N ALA 490.A O no hydrogen 2.870 N/A GLU 495.A N GLN 491.A O no hydrogen 2.996 N/A ASN 496.A N SER 492.A O no hydrogen 3.028 N/A LEU 497.A N ARG 493.A O no hydrogen 3.202 N/A LEU 497.A N LEU 494.A O no hydrogen 2.985 N/A ASP 498.A N LEU 494.A O no hydrogen 3.054 N/A GLU 499.A N GLU 495.A O no hydrogen 3.143 N/A PHE 500.A N ASN 496.A O no hydrogen 3.057 N/A LEU 501.A N LEU 497.A O no hydrogen 3.194 N/A SER 502.A N GLU 499.A O no hydrogen 3.154 N/A VAL 503.A N PHE 500.A O no hydrogen 2.911 N/A THR 504.A N PHE 500.A O no hydrogen 3.257 N/A THR 504.A OG1 THR 466.A OG1 no hydrogen 2.864 N/A THR 504.A OG1 LEU 501.A O no hydrogen 2.924 N/A LYS 505.A N LEU 501.A O no hydrogen 3.118 N/A HIS 506.A N SER 502.A O no hydrogen 2.915 N/A PHE 507.A N VAL 503.A O no hydrogen 3.069 N/A GLU 508.A N THR 504.A O no hydrogen 2.995 N/A ASN 509.A N LYS 505.A O no hydrogen 3.100 N/A ASN 509.A N HIS 506.A O no hydrogen 3.175 N/A VAL 510.A N HIS 506.A O no hydrogen 2.970 N/A VAL 510.A N PHE 507.A O no hydrogen 2.980 N/A LYS 514.A NZ GLU 508.A O no hydrogen 2.769 N/A SER 515.A N ASP 513.A OD1 no hydrogen 3.152 N/A SER 515.A OG ASP 513.A OD1 no hydrogen 2.726 N/A ALA 518.A N SER 515.A OG no hydrogen 3.102 N/A PHE 519.A N SER 515.A O no hydrogen 2.907 N/A LEU 520.A N LEU 516.A O no hydrogen 3.026 N/A THR 521.A N ILE 517.A O no hydrogen 3.087 N/A THR 521.A N ALA 518.A O no hydrogen 2.972 N/A THR 521.A OG1 ILE 517.A O no hydrogen 2.913 N/A ASP 522.A N ALA 518.A O no hydrogen 2.878 N/A LEU 523.A N PHE 519.A O no hydrogen 2.948 N/A ALA 524.A N THR 521.A O no hydrogen 2.959 N/A SER 527.A OG LEU 523.A O no hydrogen 3.177 N/A SER 527.A OG ILE 526.A O no hydrogen 2.865 N/A VAL 531.A N PRO 374.A O no hydrogen 2.808 N/A MET 532.A N PHE 351.A O no hydrogen 3.039 N/A LEU 533.A N GLN 376.A O no hydrogen 2.985 N/A THR 535.A OG1 TYR 355.A O no hydrogen 3.400 N/A THR 535.A OG1 ARG 356.A O no hydrogen 3.240 N/A LEU 536.A N TYR 355.A O no hydrogen 3.043 N/A ALA 538.A N THR 535.A O no hydrogen 2.849 N/A ALA 539.A N LEU 536.A O no hydrogen 3.018 N/A LYS 540.A NZ GLU 221.A OE1 no hydrogen 2.765 N/A LYS 540.A NZ ASP 224.A OD2 no hydrogen 2.656 N/A LEU 542.A N ALA 539.A O no hydrogen 2.985 N/A PHE 544.A N ARG 582.A O no hydrogen 2.943 N/A VAL 546.A N ASP 350.A O no hydrogen 2.984 N/A VAL 547.A N GLU 586.A O no hydrogen 3.127 N/A PHE 548.A N ALA 352.A O no hydrogen 2.956 N/A LEU 549.A N VAL 588.A O no hydrogen 2.911 N/A ILE 550.A N LEU 354.A O no hydrogen 3.033 N/A GLY 551.A N GLU 329.A OE2 no hydrogen 3.064 N/A MET 552.A N THR 590.A O no hydrogen 2.948 N/A GLU 553.A N GLY 551.A O no hydrogen 2.909 N/A GLU 554.A N PRO 605.A O no hydrogen 2.957 N/A GLY 555.A N PRO 558.A O no hydrogen 2.870 N/A ILE 556.A N GLU 553.A O no hydrogen 3.071 N/A PHE 557.A N GLU 553.A O no hydrogen 2.868 N/A HIS 559.A N GLU 572.A OE1 no hydrogen 2.974 N/A ASN 560.A N GLY 555.A O no hydrogen 2.977 N/A ARG 561.A N HIS 559.A ND1 no hydrogen 3.518 N/A SER 562.A N HIS 559.A O no hydrogen 2.859 N/A SER 562.A OG HIS 559.A O no hydrogen 2.518 N/A LEU 563.A N ASN 560.A O no hydrogen 3.259 N/A MET 569.A N ASP 565.A O no hydrogen 2.910 N/A GLU 570.A N ASP 566.A O no hydrogen 2.919 N/A GLU 571.A N ASP 567.A O no hydrogen 3.139 N/A GLU 572.A N GLU 568.A O no hydrogen 2.926 N/A ARG 573.A N MET 569.A O no hydrogen 2.919 N/A ARG 574.A N GLU 570.A O no hydrogen 2.897 N/A ARG 574.A NE SER 252.A O no hydrogen 2.947 N/A ARG 574.A NH2 GLU 571.A OE1 no hydrogen 2.835 N/A LEU 575.A N GLU 571.A O no hydrogen 2.973 N/A ALA 576.A N GLU 572.A O no hydrogen 3.025 N/A TYR 577.A N ARG 573.A O no hydrogen 2.978 N/A VAL 578.A N ARG 574.A O no hydrogen 3.027 N/A GLY 579.A N LEU 575.A O no hydrogen 2.983 N/A ILE 580.A N ALA 576.A O no hydrogen 2.832 N/A THR 581.A N TYR 577.A O no hydrogen 3.165 N/A THR 581.A OG1 TYR 577.A O no hydrogen 2.672 N/A ARG 582.A N GLY 579.A O no hydrogen 3.410 N/A ARG 582.A NE VAL 578.A O no hydrogen 2.681 N/A ARG 582.A NH1 LEU 542.A O no hydrogen 2.555 N/A ALA 583.A N ILE 580.A O no hydrogen 3.269 N/A GLU 584.A N PHE 544.A O no hydrogen 2.891 N/A GLU 585.A N PRO 545.A O no hydrogen 3.123 N/A GLU 586.A N PRO 545.A O no hydrogen 3.215 N/A VAL 588.A N VAL 547.A O no hydrogen 3.035 N/A LEU 589.A N LEU 319.A O no hydrogen 2.910 N/A THR 590.A N LEU 549.A O no hydrogen 3.379 N/A THR 590.A OG1 GLU 329.A OE2 no hydrogen 3.208 N/A SER 591.A N TYR 321.A O no hydrogen 3.246 N/A SER 591.A OG TYR 320.A OH no hydrogen 2.842 N/A ALA 592.A N GLU 553.A OE2 no hydrogen 2.907 N/A GLN 593.A N ALA 323.A O no hydrogen 2.750 N/A GLN 593.A NE2 ALA 323.A O no hydrogen 3.664 N/A MET 594.A N MET 324.A O no hydrogen 2.811 N/A ARG 595.A N GLN 602.A O no hydrogen 2.869 N/A ARG 595.A NE GLU 553.A OE1 no hydrogen 2.869 N/A ARG 595.A NE GLU 553.A OE2 no hydrogen 3.176 N/A ARG 595.A NH1 GLU 329.A OE1 no hydrogen 2.881 N/A ARG 595.A NH2 GLU 329.A OE1 no hydrogen 2.765 N/A ARG 595.A NH2 GLU 329.A OE2 no hydrogen 2.819 N/A ARG 595.A NH2 GLU 553.A OE2 no hydrogen 2.643 N/A THR 596.A N GLU 326.A OE1 no hydrogen 2.949 N/A LEU 597.A N ASN 600.A O no hydrogen 2.992 N/A PHE 598.A N GLU 499.A OE2 no hydrogen 2.810 N/A ASN 600.A N LEU 597.A O no hydrogen 3.051 N/A GLN 602.A N ARG 595.A O no hydrogen 2.910 N/A SER 607.A N MET 552.A O no hydrogen 2.896 N/A SER 607.A OG PHE 557.A O no hydrogen 2.945 N/A ARG 608.A N GLU 554.A OE2 no hydrogen 3.133 N/A ARG 608.A NE GLU 554.A OE2 no hydrogen 2.807 N/A ARG 608.A NH2 GLU 554.A OE1 no hydrogen 2.724 N/A ARG 608.A NH2 GLU 554.A OE2 no hydrogen 3.312 N/A PHE 609.A N SER 607.A OG no hydrogen 3.346 N/A LEU 610.A N SER 607.A O no hydrogen 3.021 N/A ASN 611.A N ARG 608.A O no hydrogen 2.921 N/A ASN 611.A ND2 ASN 611.A O no hydrogen 2.621 N/A GLU 612.A N PHE 609.A O no hydrogen 3.129 N/A LEU 617.A N PRO 614.A O no hydrogen 2.820 N/A LEU 618.A N ALA 615.A O no hydrogen 3.012 N/A GLU 619.A N ILE 318.A O no hydrogen 2.916 N/A ALA 621.A N TYR 320.A O no hydrogen 2.623 N/A