Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xdj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 LEU 341.A O no hydrogen 3.339 N/A LYS 2.A N SER 296.A O no hydrogen 3.199 N/A LYS 2.A NZ TYR 4.A OH no hydrogen 3.165 N/A LYS 2.A NZ GLU 188.A OE2 no hydrogen 3.003 N/A ALA 3.A N ASP 51.A OD2 no hydrogen 2.844 N/A TYR 4.A N ILE 298.A O no hydrogen 2.773 N/A TYR 4.A OH GLU 188.A OE1 no hydrogen 2.636 N/A PHE 6.A N ASN 300.A OD1 no hydrogen 3.138 N/A GLY 7.A N GLU 57.A OE2 no hydrogen 2.971 N/A PHE 8.A N TYR 46.A OH no hydrogen 3.059 N/A LYS 10.A NZ SER 59.A O no hydrogen 3.004 N/A LYS 14.A N GLU 16.A OE2 no hydrogen 2.978 N/A ARG 15.A N GLY 12.A O no hydrogen 3.246 N/A GLU 16.A N GLU 16.A OE2 no hydrogen 2.687 N/A PHE 17.A N ILE 11.A O no hydrogen 3.016 N/A LYS 18.A NZ GLU 22.A OE1 no hydrogen 2.969 N/A LYS 18.A NZ SER 471.A O no hydrogen 3.029 N/A LYS 19.A N ARG 15.A O no hydrogen 3.258 N/A ALA 20.A N GLU 16.A O no hydrogen 2.848 N/A LEU 21.A N PHE 17.A O no hydrogen 3.034 N/A GLU 22.A N LYS 18.A O no hydrogen 2.884 N/A ASP 23.A N LYS 19.A O no hydrogen 2.750 N/A PHE 24.A N ALA 20.A O no hydrogen 3.052 N/A TRP 25.A N LEU 21.A O no hydrogen 3.064 N/A LYS 26.A N GLU 22.A O no hydrogen 3.108 N/A GLY 27.A N ASP 23.A O no hydrogen 3.077 N/A GLY 27.A N PHE 24.A O no hydrogen 3.097 N/A LYS 28.A N ASP 23.A O no hydrogen 2.778 N/A ILE 29.A N ASP 23.A O no hydrogen 3.349 N/A THR 30.A N GLN 33.A OE1 no hydrogen 2.927 N/A GLN 33.A N THR 30.A OG1 no hydrogen 3.217 N/A PHE 34.A N THR 30.A O no hydrogen 2.817 N/A GLU 35.A N GLU 31.A O no hydrogen 2.732 N/A GLU 36.A N GLU 32.A O no hydrogen 2.926 N/A GLU 37.A N GLN 33.A O no hydrogen 2.991 N/A LYS 39.A N GLU 36.A O no hydrogen 3.122 N/A LEU 40.A N GLU 37.A O no hydrogen 3.247 N/A ARG 41.A NE ASP 126.A OD1 no hydrogen 2.793 N/A ARG 41.A NH1 TYR 60.A OH no hydrogen 3.337 N/A ARG 41.A NH2 TYR 60.A OH no hydrogen 3.223 N/A TYR 42.A OH GLU 13.A OE2 no hydrogen 2.759 N/A ASN 45.A N TYR 42.A O no hydrogen 3.313 N/A ASN 45.A ND2 TYR 42.A O no hydrogen 2.825 N/A TYR 46.A OH GLU 57.A OE1 no hydrogen 2.577 N/A ARG 47.A N VAL 43.A O no hydrogen 2.855 N/A LYS 48.A N GLU 44.A O no hydrogen 3.225 N/A ASN 49.A N TYR 46.A O no hydrogen 2.754 N/A ASN 49.A ND2 ASN 45.A O no hydrogen 2.934 N/A VAL 50.A N TYR 46.A O no hydrogen 2.643 N/A ASP 51.A N ALA 3.A O no hydrogen 3.063 N/A VAL 52.A N ALA 3.A O no hydrogen 3.234 N/A SER 55.A N ALA 138.A O no hydrogen 3.016 N/A SER 55.A OG ASP 126.A OD2 no hydrogen 3.218 N/A SER 55.A OG THR 137.A OG1 no hydrogen 3.298 N/A ASN 56.A N ASP 126.A OD2 no hydrogen 2.721 N/A ASN 56.A ND2 TRP 140.A O no hydrogen 3.077 N/A SER 59.A OG ASP 66.A OD2 no hydrogen 2.443 N/A SER 59.A OG TYR 86.A OH no hydrogen 3.407 N/A TYR 60.A OH GLU 35.A OE1 no hydrogen 2.792 N/A ASP 62.A N TYR 86.A OH no hydrogen 3.308 N/A LEU 65.A N ASP 62.A OD1 no hydrogen 2.898 N/A ASP 66.A N ASP 62.A O no hydrogen 3.080 N/A THR 67.A N PHE 63.A O no hydrogen 3.129 N/A THR 67.A OG1 PHE 63.A O no hydrogen 2.761 N/A ALA 68.A N VAL 64.A O no hydrogen 2.893 N/A VAL 69.A N LEU 65.A O no hydrogen 2.876 N/A GLY 71.A N VAL 69.A O no hydrogen 3.093 N/A ALA 72.A N ALA 68.A O no hydrogen 2.932 N/A VAL 73.A N GLY 71.A O no hydrogen 2.859 N/A GLU 75.A N GLU 112.A OE1 no hydrogen 2.842 N/A ARG 76.A NE LYS 93.A O no hydrogen 2.647 N/A ARG 76.A NH1 GLU 110.A OE1 no hydrogen 3.019 N/A ARG 76.A NH2 LYS 93.A O no hydrogen 2.776 N/A ARG 76.A NH2 ALA 94.A O no hydrogen 3.379 N/A ARG 76.A NH2 GLU 110.A OE2 no hydrogen 3.260 N/A PHE 77.A N PRO 74.A O no hydrogen 2.974 N/A GLY 78.A N GLU 75.A O no hydrogen 3.023 N/A GLY 82.A N THR 85.A OG1 no hydrogen 3.043 N/A THR 85.A OG1 GLY 82.A O no hydrogen 2.800 N/A TYR 86.A N GLY 82.A O no hydrogen 2.710 N/A TYR 86.A OH ASP 62.A O no hydrogen 3.246 N/A TYR 86.A OH ASP 66.A OD1 no hydrogen 2.599 N/A PHE 87.A N LEU 83.A O no hydrogen 2.569 N/A ASP 88.A N SER 84.A O no hydrogen 3.183 N/A ARG 90.A N PHE 87.A O no hydrogen 2.790 N/A ALA 94.A N GLY 91.A O no hydrogen 3.053 N/A LYS 98.A NZ THR 102.A O no hydrogen 2.482 N/A PHE 99.A N TYR 104.A O no hydrogen 2.757 N/A THR 102.A N PHE 99.A O no hydrogen 3.238 N/A THR 102.A OG1 PHE 99.A O no hydrogen 2.732 N/A ASN 103.A ND2 SER 514.A O no hydrogen 3.136 N/A TYR 104.A N THR 102.A OG1 no hydrogen 3.278 N/A TYR 104.A OH ASP 62.A OD2 no hydrogen 2.925 N/A HIS 105.A N SER 468.A O no hydrogen 2.735 N/A HIS 105.A ND1 SER 468.A O no hydrogen 3.216 N/A TYR 106.A N THR 97.A O no hydrogen 2.744 N/A TYR 106.A OH LEU 150.A O no hydrogen 2.686 N/A LEU 107.A N ASP 62.A OD1 no hydrogen 2.868 N/A VAL 108.A N GLU 96.A O no hydrogen 2.762 N/A ILE 111.A N LYS 152.A O no hydrogen 3.040 N/A THR 113.A OG1 GLU 115.A O no hydrogen 3.159 N/A PHE 116.A N SER 169.A OG no hydrogen 2.935 N/A TYR 117.A N VAL 70.A O no hydrogen 2.905 N/A LYS 122.A NZ GLU 120.A OE2 no hydrogen 2.719 N/A LEU 124.A N ASN 121.A O no hydrogen 3.053 N/A LEU 124.A N ASN 121.A OD1 no hydrogen 2.763 N/A GLU 125.A N ASN 121.A O no hydrogen 3.115 N/A ASP 126.A N LYS 122.A O no hydrogen 3.038 N/A TYR 127.A N PRO 123.A O no hydrogen 3.126 N/A TYR 127.A OH GLU 136.A OE1 no hydrogen 2.544 N/A LEU 128.A N LEU 124.A O no hydrogen 2.817 N/A PHE 129.A N GLU 125.A O no hydrogen 2.949 N/A PHE 130.A N ASP 126.A O no hydrogen 3.074 N/A LYS 131.A NZ ASN 184.A O no hydrogen 3.157 N/A SER 132.A N LEU 128.A O no hydrogen 2.811 N/A SER 132.A OG PHE 129.A O no hydrogen 2.627 N/A LYS 133.A N PHE 129.A O no hydrogen 3.183 N/A GLY 134.A N LYS 131.A O no hydrogen 2.766 N/A ILE 135.A N PHE 130.A O no hydrogen 2.460 N/A ALA 138.A N ILE 53.A O no hydrogen 3.006 N/A TRP 140.A N SER 55.A O no hydrogen 2.773 N/A VAL 141.A N LEU 190.A O no hydrogen 2.889 N/A GLY 143.A N ASN 192.A O no hydrogen 2.751 N/A PHE 145.A N GLU 193.A OE1 no hydrogen 3.427 N/A THR 146.A N GLU 193.A OE2 no hydrogen 3.033 N/A THR 146.A OG1 GLU 193.A OE2 no hydrogen 2.753 N/A PHE 147.A N GLY 143.A O no hydrogen 3.167 N/A LEU 148.A N PRO 144.A O no hydrogen 3.382 N/A TYR 149.A N PHE 145.A O no hydrogen 2.989 N/A LEU 150.A N THR 146.A O no hydrogen 2.872 N/A SER 151.A N LEU 148.A O no hydrogen 2.883 N/A SER 151.A OG PHE 147.A O no hydrogen 2.612 N/A LYS 152.A N PRO 109.A O no hydrogen 2.977 N/A LYS 152.A NZ GLU 96.A OE2 no hydrogen 2.884 N/A ARG 153.A N GLU 156.A O no hydrogen 2.764 N/A GLU 156.A N ARG 153.A O no hydrogen 3.065 N/A ILE 158.A N SER 151.A O no hydrogen 3.089 N/A ARG 159.A N GLN 163.A OE1 no hydrogen 3.252 N/A ARG 159.A NE TYR 149.A O no hydrogen 2.748 N/A ARG 159.A NH2 TYR 149.A O no hydrogen 3.187 N/A ARG 160.A N GLN 163.A OE1 no hydrogen 2.853 N/A ARG 160.A NE ASN 162.A OD1 no hydrogen 3.441 N/A GLN 163.A N ARG 160.A O no hydrogen 2.903 N/A GLN 163.A NE2 TRP 157.A O no hydrogen 3.388 N/A SER 169.A OG GLU 114.A O no hydrogen 3.374 N/A SER 169.A OG GLU 115.A OE1 no hydrogen 3.097 N/A LEU 170.A N LEU 166.A O no hydrogen 3.037 N/A VAL 171.A N LEU 167.A O no hydrogen 2.836 N/A SER 172.A OG GLU 168.A O no hydrogen 2.969 N/A VAL 173.A N LEU 170.A O no hydrogen 2.785 N/A TYR 174.A N LEU 170.A O no hydrogen 3.281 N/A TYR 174.A OH ILE 142.A O no hydrogen 2.722 N/A LYS 175.A N VAL 171.A O no hydrogen 2.771 N/A GLU 176.A N SER 172.A O no hydrogen 3.154 N/A VAL 177.A N VAL 173.A O no hydrogen 2.810 N/A PHE 178.A N TYR 174.A O no hydrogen 2.717 N/A GLU 179.A N LYS 175.A O no hydrogen 2.882 N/A LYS 180.A N GLU 176.A O no hydrogen 3.478 N/A LEU 181.A N VAL 177.A O no hydrogen 3.176 N/A VAL 182.A N PHE 178.A O no hydrogen 2.748 N/A GLU 183.A N GLU 179.A O no hydrogen 2.867 N/A ASN 184.A N LYS 180.A O no hydrogen 3.234 N/A ASN 184.A ND2 LYS 180.A O no hydrogen 2.547 N/A GLY 185.A N VAL 182.A O no hydrogen 3.212 N/A CYS 186.A N LEU 181.A O no hydrogen 2.939 N/A CYS 186.A SG GLU 188.A O no hydrogen 3.208 N/A ILE 189.A N PRO 219.A O no hydrogen 2.748 N/A LEU 190.A N PRO 139.A O no hydrogen 2.857 N/A VAL 191.A N THR 221.A O no hydrogen 2.733 N/A ASN 192.A N VAL 141.A O no hydrogen 2.759 N/A ASN 192.A ND2 VAL 141.A O no hydrogen 2.773 N/A GLU 193.A N PHE 223.A O no hydrogen 2.882 N/A ALA 195.A N THR 146.A OG1 no hydrogen 3.269 N/A PHE 196.A N GLU 193.A O no hydrogen 3.193 N/A VAL 197.A N PRO 194.A O no hydrogen 3.143 N/A CYS 198.A N ALA 195.A O no hydrogen 3.210 N/A CYS 198.A SG ALA 195.A O no hydrogen 3.584 N/A GLU 201.A N HIS 204.A ND1 no hydrogen 2.885 N/A LYS 202.A NZ ASP 231.A OD2 no hydrogen 3.013 N/A HIS 204.A N GLU 201.A O no hydrogen 2.838 N/A HIS 204.A NE2 ARG 159.A O no hydrogen 2.587 N/A TRP 205.A NE1 SER 230.A OG no hydrogen 3.086 N/A ASP 206.A N LYS 202.A O no hydrogen 2.997 N/A LEU 207.A N ALA 203.A O no hydrogen 3.159 N/A ILE 208.A N HIS 204.A O no hydrogen 2.820 N/A LEU 209.A N TRP 205.A O no hydrogen 2.787 N/A ASN 210.A N ASP 206.A O no hydrogen 3.470 N/A VAL 211.A N LEU 207.A O no hydrogen 3.158 N/A TYR 212.A N ILE 208.A O no hydrogen 3.086 N/A TYR 212.A OH GLU 193.A OE1 no hydrogen 2.617 N/A ARG 213.A N ASN 210.A O no hydrogen 3.368 N/A ARG 213.A NH2 ASN 210.A OD1 no hydrogen 3.330 N/A GLU 214.A N ASN 210.A O no hydrogen 3.390 N/A SER 216.A N ARG 213.A O no hydrogen 3.288 N/A SER 216.A OG ARG 213.A O no hydrogen 2.766 N/A GLU 217.A N GLU 217.A OE1 no hydrogen 2.653 N/A PHE 218.A N LEU 215.A O no hydrogen 3.146 N/A LEU 220.A N PHE 218.A O no hydrogen 2.910 N/A THR 221.A N ILE 189.A O no hydrogen 2.760 N/A THR 221.A OG1 GLU 188.A OE1 no hydrogen 2.667 N/A VAL 222.A N ARG 242.A O no hydrogen 3.191 N/A PHE 223.A N VAL 191.A O no hydrogen 2.808 N/A THR 224.A N HIS 244.A ND1 no hydrogen 3.160 N/A THR 224.A OG1 HIS 244.A O no hydrogen 3.391 N/A TYR 225.A OH ASN 192.A OD1 no hydrogen 2.822 N/A TYR 226.A N ASP 246.A OD1 no hydrogen 2.930 N/A TYR 226.A OH HIS 306.A NE2 no hydrogen 2.706 N/A SER 228.A N ASP 227.A OD2 no hydrogen 2.512 N/A SER 228.A OG ASP 227.A OD2 no hydrogen 3.178 N/A SER 228.A OG GLU 252.A OE2 no hydrogen 3.025 N/A VAL 229.A N ASN 253.A OD1 no hydrogen 3.325 N/A SER 230.A N PHE 196.A O no hydrogen 2.843 N/A SER 230.A OG PHE 196.A O no hydrogen 2.798 N/A TYR 232.A OH GLY 261.A O no hydrogen 2.863 N/A ALA 234.A N ASP 231.A OD1 no hydrogen 2.672 N/A CYS 235.A N ASP 231.A O no hydrogen 2.778 N/A VAL 236.A N TYR 232.A O no hydrogen 2.919 N/A SER 237.A N ALA 234.A O no hydrogen 3.272 N/A SER 237.A OG GLU 233.A O no hydrogen 3.096 N/A LEU 238.A N CYS 235.A O no hydrogen 3.198 N/A VAL 240.A N LEU 238.A O no hydrogen 2.607 N/A LEU 243.A N LYS 267.A O no hydrogen 3.094 N/A HIS 244.A N VAL 222.A O no hydrogen 2.675 N/A PHE 247.A N GLY 271.A O no hydrogen 3.257 N/A VAL 248.A N ASP 246.A OD2 no hydrogen 2.836 N/A SER 249.A N ASP 246.A OD2 no hydrogen 2.912 N/A SER 249.A OG ASP 246.A OD1 no hydrogen 2.600 N/A ASN 250.A ND2 ASP 246.A O no hydrogen 3.149 N/A ASN 250.A ND2 SER 249.A OG no hydrogen 3.044 N/A ASN 253.A N ASN 250.A OD1 no hydrogen 3.199 N/A ASN 253.A ND2 ASP 246.A O no hydrogen 2.833 N/A LYS 255.A N GLU 251.A O no hydrogen 3.225 N/A ASN 256.A N GLU 252.A O no hydrogen 2.791 N/A LEU 257.A N ASN 253.A O no hydrogen 2.824 N/A GLU 258.A N LEU 254.A O no hydrogen 2.888 N/A LYS 259.A N ASN 256.A O no hydrogen 3.223 N/A HIS 260.A N ASN 256.A O no hydrogen 2.968 N/A LYS 266.A NZ LEU 238.A O no hydrogen 3.161 N/A LYS 266.A NZ VAL 240.A O no hydrogen 2.603 N/A LYS 267.A N LYS 241.A O no hydrogen 2.567 N/A VAL 269.A N LEU 243.A O no hydrogen 3.190 N/A ALA 270.A N ALA 297.A O no hydrogen 3.063 N/A GLY 271.A N PHE 245.A O no hydrogen 3.066 N/A VAL 272.A N SER 299.A O no hydrogen 2.785 N/A ILE 273.A N SER 299.A O no hydrogen 3.401 N/A ASN 274.A ND2 GLU 520.A OE2 no hydrogen 3.472 N/A ARG 276.A N ASN 274.A OD1 no hydrogen 2.918 N/A ARG 276.A NH1 ASN 101.A OD1 no hydrogen 3.169 N/A TRP 279.A NE1 TYR 518.A O no hydrogen 2.590 N/A LYS 280.A N LYS 324.A O no hydrogen 2.820 N/A LYS 280.A NZ GLU 323.A O no hydrogen 2.501 N/A LYS 285.A N ASP 282.A OD2 no hydrogen 2.706 N/A VAL 286.A N ASP 282.A O no hydrogen 3.435 N/A ALA 287.A N LEU 283.A O no hydrogen 3.280 N/A SER 288.A N ARG 284.A O no hydrogen 3.061 N/A LEU 289.A N LYS 285.A O no hydrogen 3.241 N/A VAL 290.A N VAL 286.A O no hydrogen 3.052 N/A GLU 291.A N ALA 287.A O no hydrogen 2.894 N/A LYS 292.A N SER 288.A O no hydrogen 2.864 N/A LEU 293.A N LEU 289.A O no hydrogen 2.988 N/A GLY 294.A N GLU 291.A O no hydrogen 2.768 N/A ALA 295.A N VAL 290.A O no hydrogen 3.046 N/A SER 296.A OG LEU 268.A O no hydrogen 3.208 N/A ILE 298.A N LYS 2.A O no hydrogen 2.968 N/A SER 299.A N ALA 270.A O no hydrogen 3.022 N/A SER 299.A OG ASN 300.A O no hydrogen 3.031 N/A ASN 300.A ND2 PHE 6.A O no hydrogen 3.009 N/A ASN 300.A ND2 CYS 302.A O no hydrogen 2.713 N/A SER 301.A N ILE 273.A O no hydrogen 2.680 N/A SER 301.A OG ILE 273.A O no hydrogen 3.296 N/A CYS 302.A SG PRO 303.A O no hydrogen 3.900 N/A LEU 304.A N PHE 6.A O no hydrogen 3.190 N/A HIS 306.A NE2 TYR 226.A OH no hydrogen 2.706 N/A LEU 307.A N LEU 304.A O no hydrogen 3.177 N/A THR 310.A OG1 VAL 309.A O no hydrogen 2.666 N/A LEU 311.A N GLU 330.A OE1 no hydrogen 3.077 N/A GLU 314.A N LEU 311.A O no hydrogen 2.861 N/A ASN 315.A N LEU 313.A O no hydrogen 2.935 N/A ASN 315.A ND2 GLU 312.A O no hydrogen 3.694 N/A LEU 321.A N PRO 318.A O no hydrogen 3.030 N/A LYS 322.A NZ GLU 312.A O no hydrogen 2.788 N/A LYS 322.A NZ ASN 315.A OD1 no hydrogen 2.635 N/A GLU 323.A N GLU 323.A OE1 no hydrogen 2.819 N/A LYS 324.A N LEU 321.A O no hydrogen 2.741 N/A LYS 324.A NZ GLY 320.A O no hydrogen 3.126 N/A LEU 325.A N LYS 322.A O no hydrogen 2.983 N/A PHE 327.A N GLU 330.A OE1 no hydrogen 3.008 N/A ALA 328.A N PRO 308.A O no hydrogen 2.963 N/A LYS 329.A N VAL 309.A O no hydrogen 2.971 N/A LYS 331.A N ALA 328.A O no hydrogen 2.918 N/A LYS 331.A NZ ASN 274.A O no hydrogen 2.712 N/A LYS 331.A NZ GLN 277.A O no hydrogen 2.943 N/A LEU 332.A N ALA 328.A O no hydrogen 3.086 N/A GLU 333.A N LYS 329.A O no hydrogen 3.048 N/A GLU 334.A N GLU 330.A O no hydrogen 3.157 N/A LEU 335.A N LYS 331.A O no hydrogen 3.113 N/A LYS 336.A N LEU 332.A O no hydrogen 3.276 N/A LYS 338.A N LEU 335.A O no hydrogen 2.909 N/A LYS 338.A NZ THR 1.A O no hydrogen 3.153 N/A LYS 338.A NZ ASP 51.A OD2 no hydrogen 3.297 N/A ASP 339.A N LYS 336.A O no hydrogen 2.893 N/A LEU 341.A N LYS 338.A O no hydrogen 2.842 N/A ASP 349.A N THR 482.A OG1 no hydrogen 3.097 N/A ALA 352.A N ASP 349.A OD1 no hydrogen 2.585 N/A VAL 353.A N ASP 349.A O no hydrogen 2.727 N/A GLU 354.A N LEU 350.A O no hydrogen 2.703 N/A ARG 355.A N GLN 351.A O no hydrogen 2.691 N/A VAL 356.A N ALA 352.A O no hydrogen 2.887 N/A ARG 357.A N VAL 353.A O no hydrogen 2.899 N/A ASN 358.A N GLU 354.A O no hydrogen 2.846 N/A ASN 358.A N ARG 355.A O no hydrogen 3.209 N/A SER 362.A N PRO 359.A O no hydrogen 3.247 N/A PHE 363.A N GLU 360.A O no hydrogen 2.940 N/A ARG 365.A N GLU 610.A OE2 no hydrogen 2.901 N/A ARG 365.A NE ALA 585.A O no hydrogen 3.219 N/A ARG 365.A NH1 ARG 586.A O no hydrogen 2.916 N/A ARG 365.A NH1 THR 589.A O no hydrogen 2.668 N/A ARG 365.A NH2 GLU 610.A O no hydrogen 3.200 N/A ARG 365.A NH2 ASP 612.A OD2 no hydrogen 3.038 N/A GLU 371.A N GLU 368.A O no hydrogen 2.921 N/A ARG 372.A N GLU 368.A O no hydrogen 3.093 N/A ARG 372.A NE ASP 612.A OD1 no hydrogen 2.908 N/A ARG 372.A NH1 ASP 612.A OD1 no hydrogen 2.770 N/A ARG 372.A NH2 LYS 367.A O no hydrogen 3.003 N/A ASP 373.A N TYR 369.A O no hydrogen 2.691 N/A ILE 375.A N GLU 371.A O no hydrogen 3.455 N/A GLN 376.A N ARG 372.A O no hydrogen 3.003 N/A GLN 376.A NE2 PRO 587.A O no hydrogen 2.853 N/A GLN 376.A NE2 ASP 612.A OD2 no hydrogen 2.917 N/A ARG 377.A N ASP 373.A O no hydrogen 2.925 N/A ARG 377.A NE ASP 373.A OD2 no hydrogen 3.076 N/A ARG 377.A NH1 GLU 670.A O no hydrogen 2.809 N/A ARG 377.A NH2 GLU 670.A O no hydrogen 3.277 N/A GLU 378.A N ARG 374.A O no hydrogen 3.047 N/A ARG 379.A N ILE 375.A O no hydrogen 2.762 N/A ARG 379.A NH1 GLU 588.A O no hydrogen 2.969 N/A LEU 380.A N GLN 376.A O no hydrogen 2.562 N/A ASN 381.A N ARG 377.A O no hydrogen 2.864 N/A ASN 381.A ND2 ARG 379.A O no hydrogen 3.240 N/A THR 387.A N ASP 436.A OD1 no hydrogen 2.798 N/A THR 387.A OG1 ASP 436.A OD1 no hydrogen 3.104 N/A THR 388.A N ILE 674.A O no hydrogen 3.074 N/A THR 388.A OG1 THR 389.A O no hydrogen 3.490 N/A THR 388.A OG1 VAL 437.A O no hydrogen 2.870 N/A PHE 393.A N GLY 441.A O no hydrogen 3.162 N/A ARG 400.A N THR 396.A O no hydrogen 3.140 N/A LYS 401.A N PRO 397.A O no hydrogen 2.766 N/A ARG 402.A NH1 GLN 395.A OE1 no hydrogen 2.898 N/A ARG 402.A NH1 PHE 443.A O no hydrogen 2.567 N/A ARG 402.A NH2 GLN 395.A OE1 no hydrogen 2.656 N/A SER 403.A N ARG 400.A O no hydrogen 3.234 N/A LYS 404.A N LYS 401.A O no hydrogen 3.166 N/A ARG 406.A N ARG 402.A O no hydrogen 3.335 N/A LYS 407.A N SER 403.A O no hydrogen 2.790 N/A GLY 408.A N TYR 405.A O no hydrogen 3.076 N/A SER 411.A OG GLU 414.A OE2 no hydrogen 2.924 N/A GLU 414.A N SER 411.A OG no hydrogen 3.317 N/A TYR 415.A N SER 411.A O no hydrogen 2.979 N/A GLU 416.A N LYS 412.A O no hydrogen 2.720 N/A ALA 417.A N GLU 413.A O no hydrogen 2.904 N/A PHE 418.A N GLU 414.A O no hydrogen 3.172 N/A ILE 419.A N TYR 415.A O no hydrogen 2.956 N/A LYS 420.A N GLU 416.A O no hydrogen 3.250 N/A GLU 421.A N ALA 417.A O no hydrogen 3.228 N/A GLN 422.A N PHE 418.A O no hydrogen 3.073 N/A GLN 422.A NE2 PHE 418.A O no hydrogen 3.448 N/A ILE 423.A N ILE 419.A O no hydrogen 2.729 N/A LYS 424.A N LYS 420.A O no hydrogen 2.728 N/A LYS 425.A N GLU 421.A O no hydrogen 2.987 N/A ALA 426.A N GLN 422.A O no hydrogen 3.030 N/A ILE 427.A N ILE 423.A O no hydrogen 2.762 N/A GLU 428.A N LYS 424.A O no hydrogen 3.150 N/A LEU 429.A N LYS 425.A O no hydrogen 3.279 N/A GLN 430.A N ALA 426.A O no hydrogen 3.011 N/A GLN 430.A NE2 ALA 426.A O no hydrogen 3.111 N/A GLN 430.A NE2 VAL 439.A O no hydrogen 3.058 N/A GLU 431.A N ILE 427.A O no hydrogen 2.902 N/A GLU 432.A N GLU 428.A O no hydrogen 2.906 N/A ILE 433.A N LEU 429.A O no hydrogen 2.781 N/A ILE 433.A N GLN 430.A O no hydrogen 3.200 N/A GLY 434.A N GLN 430.A O no hydrogen 2.962 N/A LEU 435.A N GLN 430.A O no hydrogen 3.224 N/A ASP 436.A N THR 387.A O no hydrogen 3.178 N/A ASP 436.A N THR 387.A OG1 no hydrogen 3.405 N/A VAL 437.A N THR 387.A O no hydrogen 3.137 N/A LEU 438.A N PRO 503.A O no hydrogen 2.934 N/A VAL 439.A N GLN 430.A OE1 no hydrogen 3.336 N/A HIS 440.A NE2 GLU 444.A OE2 no hydrogen 2.963 N/A GLU 444.A N GLU 444.A OE1 no hydrogen 2.596 N/A ARG 445.A N GLU 442.A O no hydrogen 3.419 N/A ARG 445.A NE GLU 444.A OE2 no hydrogen 3.069 N/A GLU 449.A N ASP 447.A OD1 no hydrogen 2.906 N/A PHE 450.A N ASP 447.A O no hydrogen 3.228 N/A ALA 452.A N VAL 448.A O no hydrogen 2.943 N/A GLU 453.A N GLU 449.A O no hydrogen 3.146 N/A LYS 454.A N PHE 451.A O no hydrogen 3.052 N/A LEU 455.A N ALA 452.A O no hydrogen 3.465 N/A ASN 456.A N THR 484.A O no hydrogen 2.816 N/A ALA 459.A N ILE 478.A O no hydrogen 2.653 N/A GLN 462.A N GLU 314.A OE1 no hydrogen 3.140 N/A GLN 462.A N GLU 314.A OE2 no hydrogen 2.816 N/A ASN 463.A N GLU 314.A OE1 no hydrogen 2.500 N/A GLY 464.A N THR 461.A OG1 no hydrogen 3.036 N/A TRP 465.A N ASN 463.A O no hydrogen 2.507 N/A VAL 466.A N TYR 474.A O no hydrogen 2.759 N/A SER 468.A N ARG 472.A O no hydrogen 2.978 N/A SER 468.A OG ARG 472.A O no hydrogen 3.496 N/A TYR 469.A N ARG 472.A O no hydrogen 3.517 N/A SER 471.A OG GLU 22.A OE1 no hydrogen 2.934 N/A ARG 472.A N TYR 469.A O no hydrogen 2.870 N/A ARG 472.A NE TYR 469.A OH no hydrogen 3.136 N/A TYR 474.A N VAL 466.A O no hydrogen 2.774 N/A ARG 475.A NH1 GLN 462.A O no hydrogen 2.459 N/A ILE 478.A N ALA 459.A O no hydrogen 2.649 N/A ILE 479.A N TYR 517.A O no hydrogen 2.886 N/A GLY 481.A N GLY 457.A O no hydrogen 3.044 N/A THR 482.A N ALA 347.A O no hydrogen 3.159 N/A VAL 483.A N GLN 530.A OE1 no hydrogen 2.862 N/A ARG 485.A NE GLU 537.A OE2 no hydrogen 3.483 N/A ARG 485.A NH1 ASP 541.A OD2 no hydrogen 2.404 N/A ARG 485.A NH2 GLU 538.A OE1 no hydrogen 2.663 N/A ARG 485.A NH2 ASP 541.A OD2 no hydrogen 2.456 N/A THR 489.A OG1 GLU 538.A OE2 no hydrogen 3.199 N/A ILE 493.A N THR 489.A O no hydrogen 3.078 N/A THR 494.A N LEU 490.A O no hydrogen 2.724 N/A THR 494.A OG1 LEU 490.A O no hydrogen 2.661 N/A THR 494.A OG1 LYS 491.A O no hydrogen 3.295 N/A TYR 495.A N LYS 491.A O no hydrogen 3.089 N/A ALA 496.A N GLU 492.A O no hydrogen 2.920 N/A GLN 497.A N ILE 493.A O no hydrogen 3.041 N/A GLN 497.A NE2 GLN 497.A O no hydrogen 2.894 N/A GLN 497.A NE2 THR 500.A O no hydrogen 3.076 N/A GLN 497.A NE2 LYS 502.A O no hydrogen 2.818 N/A SER 498.A N THR 494.A O no hydrogen 3.081 N/A SER 498.A N TYR 495.A O no hydrogen 3.086 N/A SER 498.A OG TYR 495.A O no hydrogen 2.654 N/A LEU 499.A N ALA 496.A O no hydrogen 3.388 N/A THR 500.A N GLN 497.A O no hydrogen 3.195 N/A THR 500.A OG1 GLU 431.A OE2 no hydrogen 2.459 N/A LYS 502.A N THR 500.A OG1 no hydrogen 3.221 N/A LYS 502.A NZ LEU 435.A O no hydrogen 2.596 N/A VAL 504.A N GLN 497.A OE1 no hydrogen 2.949 N/A LYS 505.A N LEU 438.A O no hydrogen 2.861 N/A LYS 505.A NZ THR 389.A O no hydrogen 2.614 N/A LYS 505.A NZ GLN 551.A OE1 no hydrogen 2.985 N/A GLY 506.A N ILE 549.A O no hydrogen 2.720 N/A GLY 509.A N ASP 553.A O no hydrogen 2.681 N/A VAL 511.A N GLU 554.A OE1 no hydrogen 3.187 N/A THR 512.A N GLU 554.A OE2 no hydrogen 3.087 N/A THR 512.A OG1 GLU 554.A OE2 no hydrogen 2.743 N/A ILE 513.A N GLY 509.A O no hydrogen 3.140 N/A TRP 515.A N THR 512.A O no hydrogen 3.196 N/A SER 516.A OG ILE 513.A O no hydrogen 2.849 N/A TYR 517.A N PRO 477.A O no hydrogen 2.941 N/A TYR 517.A OH HIS 306.A O no hydrogen 2.641 N/A TYR 518.A N GLN 277.A OE1 no hydrogen 3.277 N/A TYR 518.A OH GLU 524.A OE2 no hydrogen 2.874 N/A ARG 519.A N ILE 479.A O no hydrogen 3.227 N/A ARG 519.A NH1 PHE 346.A O no hydrogen 3.443 N/A ARG 519.A NH1 TYR 480.A O no hydrogen 2.583 N/A ARG 519.A NH2 GLU 344.A O no hydrogen 2.920 N/A GLU 526.A N PRO 523.A O no hydrogen 2.767 N/A ILE 527.A N PRO 523.A O no hydrogen 3.422 N/A ALA 528.A N GLU 524.A O no hydrogen 3.013 N/A TYR 529.A N ARG 525.A O no hydrogen 3.058 N/A GLN 530.A N GLU 526.A O no hydrogen 2.916 N/A ILE 531.A N ILE 527.A O no hydrogen 3.107 N/A ALA 532.A N ALA 528.A O no hydrogen 2.831 N/A LEU 533.A N TYR 529.A O no hydrogen 2.863 N/A ALA 534.A N GLN 530.A O no hydrogen 3.098 N/A ILE 535.A N ILE 531.A O no hydrogen 2.950 N/A ASN 536.A N ALA 532.A O no hydrogen 2.913 N/A ASN 536.A ND2 ALA 582.A O no hydrogen 3.616 N/A ASN 536.A ND2 ASN 584.A O no hydrogen 2.965 N/A GLU 537.A N LEU 533.A O no hydrogen 2.967 N/A VAL 539.A N ILE 535.A O no hydrogen 2.877 N/A LYS 540.A N ASN 536.A O no hydrogen 2.933 N/A LYS 540.A NZ ASN 584.A O no hydrogen 3.146 N/A ASP 541.A N GLU 537.A O no hydrogen 3.360 N/A LEU 542.A N GLU 538.A O no hydrogen 3.103 N/A GLU 543.A N VAL 539.A O no hydrogen 3.022 N/A GLU 544.A N LYS 540.A O no hydrogen 2.755 N/A ALA 545.A N ASP 541.A O no hydrogen 2.804 N/A GLY 546.A N GLU 543.A O no hydrogen 2.508 N/A ILE 547.A N LEU 542.A O no hydrogen 2.864 N/A VAL 550.A N GLN 590.A O no hydrogen 3.142 N/A GLN 551.A N GLY 506.A O no hydrogen 2.794 N/A GLN 551.A NE2 ILE 390.A O no hydrogen 2.898 N/A GLN 551.A NE2 ASP 553.A OD1 no hydrogen 2.981 N/A ILE 552.A N HIS 592.A O no hydrogen 2.927 N/A ASP 553.A N LEU 507.A O no hydrogen 2.738 N/A GLU 554.A N HIS 594.A O no hydrogen 3.145 N/A ALA 556.A N THR 512.A OG1 no hydrogen 3.046 N/A PHE 557.A N GLU 554.A O no hydrogen 3.238 N/A ARG 558.A N TYR 596.A OH no hydrogen 2.363 N/A ARG 558.A NH1 ARG 558.A O no hydrogen 3.214 N/A LYS 560.A N ALA 556.A O no hydrogen 2.798 N/A LYS 560.A NZ TYR 518.A OH no hydrogen 2.994 N/A ALA 561.A N ARG 558.A O no hydrogen 2.879 N/A LYS 564.A NZ VAL 197.A O no hydrogen 2.582 N/A LYS 564.A NZ SER 228.A O no hydrogen 2.666 N/A LYS 565.A NZ GLU 601.A OE1 no hydrogen 2.973 N/A LYS 565.A NZ GLU 601.A OE2 no hydrogen 3.544 N/A SER 566.A N ASP 199.A OD1 no hydrogen 2.885 N/A SER 566.A OG ASP 199.A OD1 no hydrogen 3.449 N/A SER 566.A OG ASP 199.A OD2 no hydrogen 2.719 N/A LYS 567.A N LYS 564.A O no hydrogen 2.835 N/A LYS 567.A NZ ASP 227.A OD1 no hydrogen 3.356 N/A LYS 567.A NZ ASP 227.A OD2 no hydrogen 2.870 N/A LYS 567.A NZ GLU 252.A OE1 no hydrogen 3.345 N/A LYS 567.A NZ GLU 252.A OE2 no hydrogen 2.978 N/A TRP 568.A N LYS 565.A O no hydrogen 3.058 N/A TRP 568.A NE1 PRO 562.A O no hydrogen 2.852 N/A TYR 571.A OH PHE 557.A O no hydrogen 2.571 N/A PHE 572.A N TRP 568.A O no hydrogen 2.870 N/A GLU 573.A N PRO 569.A O no hydrogen 3.156 N/A ALA 575.A N TYR 571.A O no hydrogen 3.040 N/A ILE 576.A N PHE 572.A O no hydrogen 2.733 N/A ASN 577.A N GLU 573.A O no hydrogen 3.349 N/A ALA 578.A N TRP 574.A O no hydrogen 2.968 N/A PHE 579.A N ALA 575.A O no hydrogen 3.167 N/A ASN 580.A N ILE 576.A O no hydrogen 2.952 N/A ASN 580.A ND2 GLN 608.A O no hydrogen 3.257 N/A LEU 581.A N ASN 577.A O no hydrogen 2.764 N/A ALA 582.A N ALA 578.A O no hydrogen 2.946 N/A ALA 583.A N PHE 579.A O no hydrogen 2.853 N/A ASN 584.A N LEU 581.A O no hydrogen 3.473 N/A ALA 585.A N ALA 583.A O no hydrogen 2.726 N/A ARG 586.A N GLU 543.A OE2 no hydrogen 2.756 N/A THR 589.A N ARG 586.A O no hydrogen 2.999 N/A THR 589.A OG1 GLU 543.A OE2 no hydrogen 2.547 N/A GLN 590.A N LYS 548.A O no hydrogen 3.050 N/A GLN 590.A NE2 GLN 376.A OE1 no hydrogen 3.528 N/A ILE 591.A N ASP 612.A OD2 no hydrogen 2.702 N/A HIS 592.A N VAL 550.A O no hydrogen 2.877 N/A HIS 592.A NE2 GLN 590.A OE1 no hydrogen 2.820 N/A ALA 593.A N VAL 613.A O no hydrogen 2.859 N/A HIS 594.A N ILE 552.A O no hydrogen 3.475 N/A HIS 594.A ND1 SER 615.A OG no hydrogen 2.720 N/A CYS 595.A SG HIS 594.A NE2 no hydrogen 3.604 N/A TYR 596.A OH PRO 555.A O no hydrogen 2.660 N/A ILE 602.A N PHE 599.A O no hydrogen 3.169 N/A ILE 603.A N PHE 599.A O no hydrogen 3.069 N/A GLU 604.A N GLU 604.A OE2 no hydrogen 2.791 N/A TYR 605.A N ILE 602.A O no hydrogen 2.600 N/A ILE 606.A N ILE 602.A O no hydrogen 2.910 N/A HIS 607.A N ILE 603.A O no hydrogen 2.907 N/A GLN 608.A N TYR 605.A O no hydrogen 3.188 N/A GLN 608.A NE2 GLU 604.A O no hydrogen 3.067 N/A LEU 609.A N ILE 606.A O no hydrogen 2.703 N/A GLU 610.A N ASN 580.A OD1 no hydrogen 2.594 N/A PHE 611.A N LEU 609.A O no hydrogen 2.868 N/A ASP 612.A N ILE 591.A O no hydrogen 2.743 N/A VAL 613.A N ILE 591.A O no hydrogen 3.122 N/A ILE 614.A N GLN 638.A O no hydrogen 2.952 N/A SER 615.A N ALA 593.A O no hydrogen 2.866 N/A SER 615.A OG ALA 593.A O no hydrogen 3.563 N/A SER 615.A OG HIS 594.A ND1 no hydrogen 2.720 N/A ILE 616.A N GLY 640.A O no hydrogen 2.731 N/A ALA 618.A N GLY 642.A O no hydrogen 3.212 N/A SER 619.A N ASP 677.A OD1 no hydrogen 3.236 N/A SER 619.A OG ASP 677.A OD2 no hydrogen 2.415 N/A SER 621.A OG ALA 618.A O no hydrogen 3.413 N/A LYS 622.A N SER 619.A O no hydrogen 2.937 N/A GLY 623.A N ALA 618.A O no hydrogen 2.848 N/A GLU 624.A N SER 621.A O no hydrogen 3.106 N/A ILE 625.A N SER 621.A OG no hydrogen 2.983 N/A ILE 626.A N GLY 623.A O no hydrogen 2.885 N/A SER 627.A N GLU 624.A O no hydrogen 3.088 N/A SER 627.A OG GLU 624.A O no hydrogen 3.485 N/A PHE 629.A N ILE 626.A O no hydrogen 2.821 N/A GLU 630.A N ILE 626.A O no hydrogen 3.031 N/A ASN 631.A N SER 627.A O no hydrogen 3.069 N/A PHE 632.A N PHE 629.A O no hydrogen 3.160 N/A TRP 635.A N PHE 632.A O no hydrogen 3.276 N/A TRP 635.A NE1 LYS 637.A O no hydrogen 2.859 N/A LYS 637.A NZ LEU 609.A O no hydrogen 3.187 N/A LYS 637.A NZ PHE 611.A O no hydrogen 2.858 N/A GLN 638.A N ASP 612.A O no hydrogen 3.280 N/A GLN 638.A NE2 TYR 369.A OH no hydrogen 2.869 N/A ILE 639.A N LEU 671.A O no hydrogen 2.790 N/A GLY 640.A N ILE 614.A O no hydrogen 2.701 N/A VAL 641.A N TRP 673.A O no hydrogen 3.027 N/A GLY 642.A N ILE 616.A O no hydrogen 2.684 N/A VAL 643.A N ASN 675.A O no hydrogen 2.821 N/A HIS 647.A N ASP 645.A OD1 no hydrogen 3.226 N/A SER 648.A N ASP 645.A O no hydrogen 3.169 N/A ALA 650.A N SER 648.A OG no hydrogen 3.350 N/A SER 653.A N GLU 656.A OE1 no hydrogen 3.262 N/A GLU 656.A N SER 653.A OG no hydrogen 3.140 N/A GLU 658.A N ASN 655.A O no hydrogen 3.230 N/A GLU 661.A N ARG 657.A O no hydrogen 2.688 N/A ARG 662.A N GLU 658.A O no hydrogen 2.998 N/A ARG 662.A NE GLU 624.A OE2 no hydrogen 2.715 N/A ARG 662.A NH1 GLU 630.A OE1 no hydrogen 3.240 N/A ARG 662.A NH1 GLU 630.A OE2 no hydrogen 3.352 N/A ARG 662.A NH1 ARG 662.A O no hydrogen 2.934 N/A ARG 662.A NH2 GLU 624.A OE1 no hydrogen 2.849 N/A ARG 662.A NH2 GLU 624.A OE2 no hydrogen 3.218 N/A ARG 662.A NH2 GLU 630.A OE2 no hydrogen 2.959 N/A VAL 663.A N ILE 659.A O no hydrogen 2.992 N/A LEU 664.A N VAL 660.A O no hydrogen 3.006 N/A LEU 664.A N GLU 661.A O no hydrogen 3.164 N/A ARG 665.A N ARG 662.A O no hydrogen 3.159 N/A LYS 669.A NZ PHE 704.A O no hydrogen 2.909 N/A LEU 671.A N PRO 668.A O no hydrogen 3.225 N/A ILE 672.A N LYS 669.A O no hydrogen 3.366 N/A TRP 673.A N ILE 639.A O no hydrogen 3.043 N/A TRP 673.A NE1 GLN 638.A OE1 no hydrogen 2.823 N/A ILE 674.A N PRO 386.A O no hydrogen 2.926 N/A ASN 675.A N VAL 641.A O no hydrogen 3.173 N/A ASP 677.A N TRP 644.A O no hydrogen 2.876 N/A CYS 678.A SG HIS 594.A NE2 no hydrogen 3.476 N/A LEU 680.A N SER 392.A O no hydrogen 2.994 N/A LYS 681.A N SER 392.A OG no hydrogen 3.094 N/A LYS 681.A NZ GLN 395.A OE1 no hydrogen 3.114 N/A LYS 681.A NZ ARG 445.A O no hydrogen 2.947 N/A ARG 683.A N LEU 680.A O no hydrogen 3.093 N/A ARG 683.A NE GLU 687.A OE1 no hydrogen 2.688 N/A ARG 683.A NH1 ILE 646.A O no hydrogen 2.760 N/A ASN 684.A N GLU 687.A OE1 no hydrogen 2.792 N/A ASN 684.A ND2 GLU 687.A OE2 no hydrogen 3.297 N/A GLU 687.A N ASN 684.A O no hydrogen 2.960 N/A VAL 688.A N ASN 684.A O no hydrogen 3.081 N/A ILE 689.A N TRP 685.A O no hydrogen 2.924 N/A SER 691.A OG GLU 687.A O no hydrogen 2.702 N/A LEU 692.A N VAL 688.A O no hydrogen 2.835 N/A ARG 693.A N ILE 689.A O no hydrogen 2.860 N/A ARG 693.A NH1 GLU 432.A OE2 no hydrogen 3.394 N/A ARG 693.A NH2 GLU 432.A OE1 no hydrogen 2.940 N/A ARG 693.A NH2 GLU 432.A OE2 no hydrogen 3.364 N/A ASN 694.A N PRO 690.A O no hydrogen 3.112 N/A ASN 694.A ND2 PRO 652.A O no hydrogen 3.032 N/A ALA 696.A N ARG 693.A O no hydrogen 2.869 N/A LEU 697.A N ASN 694.A O no hydrogen 2.558 N/A LYS 699.A N VAL 695.A O no hydrogen 3.101 N/A GLU 700.A N ALA 696.A O no hydrogen 3.183 N/A ARG 701.A NH1 PHE 385.A O no hydrogen 3.058 N/A ARG 701.A NH1 ASP 436.A OD1 no hydrogen 2.911 N/A GLU 702.A N LYS 699.A O no hydrogen 3.184 N/A GLU 702.A N GLU 700.A O no hydrogen 2.720 N/A LYS 703.A N GLU 700.A O no hydrogen 3.170 N/A