Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u1k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N SER 18.A O no hydrogen 2.906 N/A SER 3.A OG MET 1.A O no hydrogen 3.119 N/A VAL 5.A N ILE 16.A O no hydrogen 2.788 N/A VAL 7.A N LEU 14.A O no hydrogen 2.775 N/A ARG 12.A NH1 ASN 116.A OD1 no hydrogen 2.337 N/A LEU 14.A N VAL 7.A O no hydrogen 2.725 N/A GLU 15.A N GLN 32.A O no hydrogen 2.771 N/A ILE 16.A N VAL 5.A O no hydrogen 2.829 N/A SER 17.A N VAL 30.A O no hydrogen 2.833 N/A SER 18.A N SER 3.A O no hydrogen 3.058 N/A SER 18.A OG SER 28.A O no hydrogen 2.711 N/A ALA 25.A N ALA 22.A O no hydrogen 3.324 N/A GLY 27.A N ALA 42.A O no hydrogen 3.007 N/A SER 28.A OG LEU 21.A O no hydrogen 3.225 N/A ALA 29.A N VAL 40.A O no hydrogen 3.004 N/A VAL 30.A N SER 17.A O no hydrogen 2.802 N/A VAL 31.A N VAL 38.A O no hydrogen 2.812 N/A GLN 32.A N GLU 15.A O no hydrogen 2.773 N/A GLN 32.A NE2 GLY 34.A O no hydrogen 2.899 N/A SER 33.A N THR 36.A O no hydrogen 3.009 N/A SER 33.A OG LYS 13.A O no hydrogen 3.292 N/A SER 33.A OG ASN 116.A OD1 no hydrogen 3.526 N/A ASP 35.A N ASP 113.A OD2 no hydrogen 2.962 N/A THR 36.A N SER 33.A O no hydrogen 3.014 N/A THR 36.A OG1 ASP 113.A OD1 no hydrogen 2.725 N/A THR 36.A OG1 ASN 116.A O no hydrogen 2.744 N/A ALA 37.A N ALA 111.A O no hydrogen 2.773 N/A VAL 38.A N VAL 31.A O no hydrogen 2.847 N/A MET 39.A N ASN 108.A O no hydrogen 2.864 N/A VAL 40.A N ALA 29.A O no hydrogen 2.848 N/A THR 41.A N LEU 106.A O no hydrogen 2.819 N/A ALA 42.A N GLY 27.A O no hydrogen 2.918 N/A VAL 43.A N GLN 104.A O no hydrogen 2.903 N/A SER 44.A N ASP 26.A OD2 no hydrogen 2.923 N/A SER 44.A OG TYR 99.A OH no hydrogen 2.653 N/A SER 44.A OG THR 103.A OG1 no hydrogen 2.763 N/A LYS 45.A N ASP 102.A O no hydrogen 2.813 N/A SER 49.A N PHE 100.A O no hydrogen 2.741 N/A SER 51.A N SER 49.A OG no hydrogen 2.949 N/A VAL 57.A N THR 103.A O no hydrogen 3.072 N/A ASP 59.A N VAL 105.A O no hydrogen 2.799 N/A TYR 60.A N SER 84.A OG no hydrogen 2.928 N/A GLN 62.A N GLU 80.A OE2 no hydrogen 2.829 N/A LYS 63.A NZ ASN 108.A OD1 no hydrogen 2.657 N/A LYS 63.A NZ LEU 109.A O no hydrogen 3.016 N/A ALA 65.A N ILE 70.A O no hydrogen 2.583 N/A ARG 69.A N ALA 65.A O no hydrogen 2.961 N/A ARG 69.A N ALA 66.A O no hydrogen 3.106 N/A ILE 70.A N ALA 65.A O no hydrogen 2.917 N/A THR 72.A N LYS 63.A O no hydrogen 2.878 N/A ASN 73.A N LYS 63.A O no hydrogen 3.004 N/A LEU 75.A N THR 72.A O no hydrogen 2.782 N/A SER 77.A N GLU 80.A OE1 no hydrogen 2.664 N/A SER 77.A OG GLU 80.A OE1 no hydrogen 3.100 N/A ASP 78.A N ASN 369.A OD1 no hydrogen 3.038 N/A LYS 79.A NZ THR 83.A OG1 no hydrogen 2.880 N/A GLU 80.A N SER 77.A OG no hydrogen 3.096 N/A ILE 81.A N SER 77.A O no hydrogen 3.127 N/A LEU 82.A N ASP 78.A O no hydrogen 2.786 N/A THR 83.A N LYS 79.A O no hydrogen 2.882 N/A THR 83.A OG1 LYS 79.A O no hydrogen 2.725 N/A SER 84.A N GLU 80.A O no hydrogen 2.909 N/A SER 84.A OG VAL 58.A O no hydrogen 3.501 N/A SER 84.A OG GLU 80.A O no hydrogen 2.826 N/A ARG 85.A N ILE 81.A O no hydrogen 3.049 N/A ILE 86.A N LEU 82.A O no hydrogen 2.984 N/A ILE 87.A N THR 83.A O no hydrogen 3.000 N/A ASP 88.A N SER 84.A O no hydrogen 2.887 N/A ARG 89.A N ARG 85.A O no hydrogen 2.937 N/A ARG 89.A NH2 GLU 183.A OE1 no hydrogen 3.228 N/A SER 90.A N ILE 86.A O no hydrogen 3.156 N/A SER 90.A N ILE 87.A O no hydrogen 2.960 N/A SER 90.A OG ILE 86.A O no hydrogen 2.970 N/A ILE 91.A N ILE 87.A O no hydrogen 3.177 N/A ILE 91.A N ASP 88.A O no hydrogen 3.079 N/A ARG 92.A N ASP 88.A O no hydrogen 2.816 N/A ARG 92.A NE ASP 88.A OD1 no hydrogen 2.758 N/A ARG 92.A NH2 LEU 56.A O no hydrogen 3.050 N/A ARG 92.A NH2 ASP 88.A OD1 no hydrogen 3.520 N/A ARG 92.A NH2 ASP 88.A OD2 no hydrogen 2.959 N/A LEU 94.A N ILE 91.A O no hydrogen 3.121 N/A PHE 95.A N ARG 92.A O no hydrogen 3.406 N/A TYR 99.A N PRO 96.A O no hydrogen 3.275 N/A TYR 99.A OH SER 44.A OG no hydrogen 2.653 N/A PHE 100.A N GLY 98.A O no hydrogen 2.858 N/A TYR 101.A N TYR 99.A O no hydrogen 3.009 N/A TYR 101.A OH LYS 228.A O no hydrogen 2.705 N/A THR 103.A N PRO 55.A O no hydrogen 2.866 N/A THR 103.A OG1 SER 44.A OG no hydrogen 2.763 N/A THR 103.A OG1 TYR 101.A O no hydrogen 2.576 N/A GLN 104.A N VAL 43.A O no hydrogen 2.728 N/A GLN 104.A NE2 ASP 59.A OD2 no hydrogen 3.295 N/A VAL 105.A N VAL 57.A O no hydrogen 2.968 N/A LEU 106.A N THR 41.A O no hydrogen 3.070 N/A CYS 107.A N ASP 59.A O no hydrogen 3.044 N/A ASN 108.A N MET 39.A O no hydrogen 2.730 N/A LEU 110.A N ALA 37.A O no hydrogen 2.865 N/A ALA 111.A N ALA 37.A O no hydrogen 3.243 N/A ASP 113.A N THR 36.A OG1 no hydrogen 2.973 N/A VAL 115.A N ASP 113.A OD1 no hydrogen 2.823 N/A ASN 116.A N ASP 113.A OD1 no hydrogen 2.784 N/A ASN 116.A ND2 ASP 113.A OD2 no hydrogen 3.014 N/A VAL 120.A N ASP 119.A OD1 no hydrogen 2.637 N/A ALA 122.A N PRO 118.A O no hydrogen 2.927 N/A ILE 123.A N ASP 119.A O no hydrogen 3.165 N/A ASN 124.A N VAL 120.A O no hydrogen 3.195 N/A ASN 124.A ND2 VAL 120.A O no hydrogen 2.884 N/A ASN 124.A ND2 ALA 143.A O no hydrogen 2.956 N/A GLY 125.A N LEU 121.A O no hydrogen 2.768 N/A ALA 126.A N ALA 122.A O no hydrogen 2.845 N/A SER 127.A N ILE 123.A O no hydrogen 3.208 N/A SER 127.A OG VAL 141.A O no hydrogen 2.630 N/A VAL 128.A N ASN 124.A O no hydrogen 2.913 N/A ALA 129.A N GLY 125.A O no hydrogen 2.892 N/A LEU 130.A N ALA 126.A O no hydrogen 3.010 N/A SER 131.A N SER 127.A O no hydrogen 2.882 N/A SER 131.A OG SER 127.A O no hydrogen 2.575 N/A LEU 132.A N VAL 128.A O no hydrogen 2.861 N/A SER 133.A N LEU 130.A O no hydrogen 3.155 N/A SER 133.A OG LEU 130.A O no hydrogen 2.662 N/A ILE 135.A N SER 133.A OG no hydrogen 3.065 N/A TRP 137.A NE1 ILE 91.A O no hydrogen 2.934 N/A ASN 138.A N LEU 94.A O no hydrogen 2.729 N/A GLY 139.A N TRP 137.A O no hydrogen 3.032 N/A VAL 141.A N SER 127.A OG no hydrogen 3.026 N/A GLY 142.A N GLY 173.A O no hydrogen 2.916 N/A ALA 143.A N ASN 124.A OD1 no hydrogen 2.935 N/A VAL 144.A N VAL 171.A O no hydrogen 3.081 N/A ARG 145.A N ASN 156.A OD1 no hydrogen 3.029 N/A ARG 145.A NE ASN 168.A OD1 no hydrogen 2.760 N/A ARG 145.A NH1 ASP 119.A OD1 no hydrogen 3.051 N/A ARG 145.A NH2 ASP 119.A OD1 no hydrogen 3.436 N/A ARG 145.A NH2 ASP 119.A OD2 no hydrogen 2.741 N/A ILE 146.A N LEU 169.A O no hydrogen 2.724 N/A GLY 147.A N VAL 154.A O no hydrogen 2.801 N/A ILE 148.A N SER 165.A OG no hydrogen 2.955 N/A ILE 149.A N GLU 152.A O no hydrogen 2.866 N/A GLU 152.A N ILE 149.A O no hydrogen 2.837 N/A VAL 154.A N GLY 147.A O no hydrogen 2.933 N/A ASN 156.A N ARG 145.A O no hydrogen 2.734 N/A THR 158.A N GLU 161.A OE1 no hydrogen 2.745 N/A ARG 159.A N VAL 115.A O no hydrogen 2.916 N/A GLU 161.A N THR 158.A OG1 no hydrogen 3.069 N/A MET 162.A N THR 158.A O no hydrogen 2.772 N/A SER 163.A N ARG 159.A O no hydrogen 3.203 N/A SER 163.A N LYS 160.A O no hydrogen 3.267 N/A SER 163.A OG LYS 160.A O no hydrogen 2.571 N/A SER 164.A N GLU 161.A O no hydrogen 3.107 N/A SER 164.A OG GLU 161.A O no hydrogen 3.524 N/A SER 165.A N MET 162.A O no hydrogen 3.001 N/A SER 165.A OG ILE 148.A O no hydrogen 3.291 N/A SER 165.A OG LEU 167.A O no hydrogen 2.511 N/A THR 166.A N ILE 148.A O no hydrogen 2.972 N/A THR 166.A OG1 ILE 148.A O no hydrogen 3.514 N/A LEU 167.A N SER 165.A OG no hydrogen 2.976 N/A ASN 168.A N SER 185.A O no hydrogen 2.620 N/A LEU 169.A N ILE 146.A O no hydrogen 3.209 N/A VAL 170.A N GLU 183.A O no hydrogen 2.445 N/A VAL 171.A N VAL 144.A O no hydrogen 2.877 N/A ALA 172.A N MET 181.A O no hydrogen 2.968 N/A GLY 173.A N GLY 142.A O no hydrogen 2.761 N/A ALA 174.A N GLN 178.A O no hydrogen 2.663 N/A SER 177.A N GLN 206.A OE1 no hydrogen 2.749 N/A GLN 178.A N ALA 174.A O no hydrogen 3.247 N/A GLN 178.A N PRO 175.A O no hydrogen 3.411 N/A GLN 178.A NE2 LYS 176.A O no hydrogen 3.017 N/A ILE 179.A N ILE 519.A O no hydrogen 2.824 N/A VAL 180.A N ALA 172.A O no hydrogen 2.824 N/A MET 181.A N ALA 172.A O no hydrogen 3.332 N/A GLU 183.A N VAL 170.A O no hydrogen 2.889 N/A ALA 184.A N LEU 510.A O no hydrogen 3.042 N/A SER 185.A N ASN 168.A O no hydrogen 2.698 N/A ALA 186.A N THR 508.A O no hydrogen 2.999 N/A GLU 187.A N THR 166.A O no hydrogen 2.853 N/A ILE 189.A N ILE 507.A O no hydrogen 3.067 N/A GLN 191.A NE2 GLN 529.A OE1 no hydrogen 2.844 N/A PHE 194.A N LEU 190.A O no hydrogen 2.932 N/A CYS 195.A N GLN 191.A O no hydrogen 2.824 N/A CYS 195.A SG GLN 191.A O no hydrogen 3.233 N/A HIS 196.A N GLN 192.A O no hydrogen 3.054 N/A ALA 197.A N ASP 193.A O no hydrogen 2.940 N/A ILE 198.A N PHE 194.A O no hydrogen 3.165 N/A LYS 199.A N CYS 195.A O no hydrogen 3.297 N/A VAL 200.A N HIS 196.A O no hydrogen 3.025 N/A GLY 201.A N ALA 197.A O no hydrogen 2.845 N/A VAL 202.A N ILE 198.A O no hydrogen 2.934 N/A LYS 203.A N LYS 199.A O no hydrogen 3.089 N/A TYR 204.A N VAL 200.A O no hydrogen 3.211 N/A THR 205.A N GLY 201.A O no hydrogen 3.056 N/A THR 205.A OG1 VAL 202.A O no hydrogen 2.662 N/A GLN 206.A N VAL 202.A O no hydrogen 3.212 N/A GLN 206.A N LYS 203.A O no hydrogen 3.108 N/A GLN 206.A NE2 ALA 174.A O no hydrogen 2.951 N/A GLN 206.A NE2 THR 205.A OG1 no hydrogen 3.134 N/A ILE 208.A N TYR 204.A O no hydrogen 3.198 N/A ILE 209.A N THR 205.A O no hydrogen 2.921 N/A GLN 210.A N GLN 206.A O no hydrogen 3.078 N/A GLY 211.A N GLN 207.A O no hydrogen 3.193 N/A ILE 212.A N ILE 208.A O no hydrogen 2.972 N/A GLN 213.A N ILE 209.A O no hydrogen 2.835 N/A GLN 214.A N GLN 210.A O no hydrogen 3.150 N/A GLN 214.A NE2 GLU 218.A OE2 no hydrogen 2.508 N/A LEU 215.A N GLY 211.A O no hydrogen 3.185 N/A VAL 216.A N ILE 212.A O no hydrogen 2.919 N/A LYS 217.A N GLN 213.A O no hydrogen 3.015 N/A LYS 217.A NZ GLN 214.A OE1 no hydrogen 3.179 N/A GLU 218.A N GLN 214.A O no hydrogen 2.977 N/A THR 219.A N LEU 215.A O no hydrogen 3.023 N/A THR 219.A OG1 LEU 215.A O no hydrogen 2.883 N/A GLY 220.A N VAL 216.A O no hydrogen 3.171 N/A LYS 223.A NZ SER 131.A O no hydrogen 3.563 N/A LYS 223.A NZ SER 133.A O no hydrogen 2.751 N/A LYS 223.A NZ ILE 135.A O no hydrogen 2.641 N/A ARG 224.A N ASP 134.A O no hydrogen 2.724 N/A ARG 224.A NE ASP 134.A O no hydrogen 3.297 N/A ARG 224.A NE ASP 134.A OD1 no hydrogen 3.198 N/A ARG 224.A NH1 SER 44.A O no hydrogen 2.906 N/A ARG 224.A NH2 ASP 26.A OD2 no hydrogen 3.141 N/A ARG 224.A NH2 SER 44.A O no hydrogen 3.139 N/A ARG 224.A NH2 ASP 134.A OD1 no hydrogen 2.773 N/A LYS 228.A N TYR 101.A OH no hydrogen 2.798 N/A PHE 230.A N GLY 98.A O no hydrogen 2.912 N/A THR 231.A N LEU 229.A O no hydrogen 2.895 N/A SER 233.A N GLU 288.A OE2 no hydrogen 3.067 N/A VAL 237.A N SER 233.A O no hydrogen 3.228 N/A LYS 238.A N PRO 234.A O no hydrogen 2.934 N/A TYR 239.A N GLU 235.A O no hydrogen 3.091 N/A THR 240.A N ILE 236.A O no hydrogen 2.964 N/A THR 240.A OG1 ILE 236.A O no hydrogen 2.573 N/A THR 240.A OG1 SER 292.A OG no hydrogen 3.294 N/A HIS 241.A N VAL 237.A O no hydrogen 2.872 N/A LYS 242.A N LYS 238.A O no hydrogen 3.093 N/A LEU 243.A N TYR 239.A O no hydrogen 2.897 N/A ALA 244.A N THR 240.A O no hydrogen 2.865 N/A MET 245.A N HIS 241.A O no hydrogen 2.977 N/A ARG 247.A NH2 ASP 272.A OD2 no hydrogen 3.333 N/A LEU 248.A N ALA 244.A O no hydrogen 2.915 N/A TYR 249.A N MET 245.A O no hydrogen 2.773 N/A TYR 249.A OH GLU 308.A OE2 no hydrogen 2.594 N/A ALA 250.A N GLU 246.A O no hydrogen 2.970 N/A VAL 251.A N ARG 247.A O no hydrogen 2.926 N/A PHE 252.A N LEU 248.A O no hydrogen 2.922 N/A THR 253.A N TYR 249.A O no hydrogen 2.972 N/A THR 253.A N ALA 250.A O no hydrogen 3.249 N/A THR 253.A OG1 TYR 249.A O no hydrogen 2.751 N/A THR 253.A OG1 ALA 250.A O no hydrogen 3.460 N/A ASP 254.A N VAL 251.A O no hydrogen 3.320 N/A GLU 256.A N ASP 254.A OD2 no hydrogen 2.981 N/A HIS 257.A N ASP 254.A O no hydrogen 3.353 N/A HIS 257.A ND1 SER 261.A OG no hydrogen 2.747 N/A ASP 258.A N SER 261.A OG no hydrogen 2.973 N/A LYS 259.A N GLN 343.A OE1 no hydrogen 2.903 N/A LYS 259.A NZ SER 432.A O no hydrogen 2.953 N/A VAL 260.A N ASP 258.A OD2 no hydrogen 3.111 N/A SER 261.A N ASP 258.A OD1 no hydrogen 3.431 N/A SER 261.A OG HIS 257.A ND1 no hydrogen 2.747 N/A SER 261.A OG ASP 258.A O no hydrogen 3.470 N/A SER 261.A OG ASP 258.A OD1 no hydrogen 3.223 N/A ARG 262.A N ASP 258.A O no hydrogen 3.001 N/A ASP 263.A N LYS 259.A O no hydrogen 3.131 N/A GLU 264.A N VAL 260.A O no hydrogen 2.946 N/A ALA 265.A N SER 261.A O no hydrogen 2.955 N/A VAL 266.A N ARG 262.A O no hydrogen 3.047 N/A ASN 267.A N ASP 263.A O no hydrogen 2.960 N/A LYS 268.A N GLU 264.A O no hydrogen 2.958 N/A ILE 269.A N ALA 265.A O no hydrogen 3.300 N/A ARG 270.A N VAL 266.A O no hydrogen 2.799 N/A ARG 270.A NH1 ASN 267.A OD1 no hydrogen 2.839 N/A LEU 271.A N ASN 267.A O no hydrogen 2.941 N/A ASP 272.A N LYS 268.A O no hydrogen 3.312 N/A THR 273.A N ILE 269.A O no hydrogen 2.861 N/A THR 273.A OG1 ILE 269.A O no hydrogen 2.440 N/A GLU 274.A N ARG 270.A O no hydrogen 2.639 N/A GLU 275.A N LEU 271.A O no hydrogen 3.135 N/A GLU 275.A N ASP 272.A O no hydrogen 3.089 N/A GLN 276.A N ASP 272.A O no hydrogen 3.158 N/A GLN 276.A NE2 ASP 272.A O no hydrogen 3.642 N/A LEU 277.A N THR 273.A O no hydrogen 2.969 N/A LYS 278.A N GLU 274.A O no hydrogen 3.329 N/A LYS 278.A NZ GLU 274.A O no hydrogen 3.473 N/A LYS 280.A N GLN 276.A O no hydrogen 3.207 N/A PHE 281.A N LEU 277.A O no hydrogen 2.749 N/A TYR 287.A N ASP 285.A OD2 no hydrogen 3.344 N/A ILE 289.A N ASP 285.A O no hydrogen 2.947 N/A ILE 290.A N PRO 286.A O no hydrogen 2.836 N/A GLU 291.A N TYR 287.A O no hydrogen 2.781 N/A SER 292.A N GLU 288.A O no hydrogen 2.900 N/A SER 292.A OG THR 240.A OG1 no hydrogen 3.294 N/A PHE 293.A N ILE 289.A O no hydrogen 3.252 N/A ASN 294.A N ILE 290.A O no hydrogen 3.238 N/A VAL 295.A N GLU 291.A O no hydrogen 2.939 N/A VAL 296.A N SER 292.A O no hydrogen 3.037 N/A ALA 297.A N PHE 293.A O no hydrogen 2.765 N/A LYS 298.A N ASN 294.A O no hydrogen 2.888 N/A GLU 299.A N VAL 295.A O no hydrogen 2.969 N/A VAL 300.A N VAL 296.A O no hydrogen 2.901 N/A PHE 301.A N ALA 297.A O no hydrogen 3.007 N/A ARG 302.A N LYS 298.A O no hydrogen 2.924 N/A ARG 302.A NH1 ASN 493.A O no hydrogen 2.897 N/A ARG 302.A NH1 ASP 495.A OD1 no hydrogen 2.907 N/A ARG 302.A NH2 THR 468.A O no hydrogen 2.734 N/A ARG 302.A NH2 ASP 495.A OD1 no hydrogen 3.372 N/A ARG 302.A NH2 ASP 495.A OD2 no hydrogen 3.057 N/A SER 303.A N GLU 299.A O no hydrogen 2.852 N/A SER 303.A OG GLU 299.A O no hydrogen 3.325 N/A SER 303.A OG VAL 300.A O no hydrogen 2.691 N/A ILE 304.A N VAL 300.A O no hydrogen 3.319 N/A LEU 306.A N ARG 302.A O no hydrogen 2.963 N/A ASN 307.A N SER 303.A O no hydrogen 2.720 N/A GLU 308.A N ILE 304.A O no hydrogen 2.868 N/A TYR 309.A N VAL 305.A O no hydrogen 3.024 N/A LYS 310.A NZ GLY 314.A O no hydrogen 3.454 N/A LYS 310.A NZ ASP 316.A OD2 no hydrogen 2.749 N/A ARG 311.A N ARG 315.A O no hydrogen 3.100 N/A ARG 311.A NE GLU 490.A OE2 no hydrogen 2.666 N/A ARG 311.A NH1 ASP 316.A O no hydrogen 3.112 N/A ARG 311.A NH1 THR 484.A O no hydrogen 2.926 N/A ARG 311.A NH2 THR 484.A O no hydrogen 2.884 N/A ARG 311.A NH2 ASP 485.A O no hydrogen 3.328 N/A ARG 311.A NH2 GLU 490.A OE1 no hydrogen 2.789 N/A ARG 311.A NH2 GLU 490.A OE2 no hydrogen 3.444 N/A GLY 314.A N ARG 311.A O no hydrogen 2.724 N/A ARG 315.A N ASP 313.A OD1 no hydrogen 3.080 N/A ARG 315.A NE ASP 313.A OD2 no hydrogen 2.840 N/A ARG 315.A NH1 SER 319.A O no hydrogen 2.936 N/A ARG 315.A NH1 ASP 485.A O no hydrogen 2.821 N/A ARG 315.A NH2 ASP 313.A OD2 no hydrogen 3.543 N/A ARG 315.A NH2 ASP 485.A O no hydrogen 3.044 N/A SER 319.A N ASP 316.A O no hydrogen 3.393 N/A ARG 321.A N ASP 485.A OD2 no hydrogen 2.904 N/A ARG 321.A NE ASP 485.A OD2 no hydrogen 3.083 N/A ARG 321.A NH1 ASN 433.A O no hydrogen 2.828 N/A ARG 321.A NH2 GLY 434.A O no hydrogen 3.441 N/A ARG 321.A NH2 ASP 485.A OD1 no hydrogen 2.958 N/A SER 324.A N GLN 340.A O no hydrogen 3.036 N/A GLU 326.A N LEU 338.A O no hydrogen 2.997 N/A ASP 328.A N SER 336.A O no hydrogen 3.036 N/A MET 329.A N SER 336.A OG no hydrogen 2.998 N/A LEU 333.A N PHE 330.A O no hydrogen 3.430 N/A GLY 335.A N VAL 350.A O no hydrogen 3.244 N/A SER 336.A N ASP 450.A OD2 no hydrogen 2.831 N/A ALA 337.A N CYS 348.A O no hydrogen 2.930 N/A LEU 338.A N GLU 326.A O no hydrogen 2.799 N/A PHE 339.A N VAL 346.A O no hydrogen 2.965 N/A GLN 340.A N SER 324.A O no hydrogen 2.910 N/A GLN 340.A NE2 GLY 342.A O no hydrogen 2.777 N/A GLN 340.A NE2 GLU 431.A OE1 no hydrogen 3.244 N/A ARG 341.A N THR 344.A O no hydrogen 2.793 N/A ARG 341.A NH1 GLY 434.A O no hydrogen 3.299 N/A ARG 341.A NH2 SER 435.A O no hydrogen 3.029 N/A GLY 342.A N ASN 322.A O no hydrogen 3.005 N/A GLN 343.A NE2 ASP 258.A OD2 no hydrogen 3.505 N/A THR 344.A N ARG 341.A O no hydrogen 2.885 N/A THR 344.A OG1 GLY 434.A O no hydrogen 3.037 N/A GLN 345.A N GLU 431.A O no hydrogen 2.786 N/A GLN 345.A NE2 GLN 340.A OE1 no hydrogen 2.896 N/A VAL 346.A N PHE 339.A O no hydrogen 2.962 N/A LEU 347.A N GLU 428.A O no hydrogen 2.930 N/A CYS 348.A N ALA 337.A O no hydrogen 2.831 N/A CYS 348.A SG SER 427.A OG no hydrogen 3.395 N/A CYS 348.A SG SER 440.A O no hydrogen 3.726 N/A THR 349.A N THR 426.A O no hydrogen 2.833 N/A VAL 350.A N GLY 335.A O no hydrogen 2.860 N/A THR 351.A N ARG 424.A O no hydrogen 2.898 N/A PHE 352.A N HIS 334.A ND1 no hydrogen 2.850 N/A ASP 353.A N THR 422.A O no hydrogen 2.967 N/A SER 354.A N ASP 353.A OD1 no hydrogen 2.821 N/A GLU 356.A N GLU 356.A OE1 no hydrogen 2.882 N/A SER 357.A N SER 354.A O no hydrogen 3.084 N/A SER 357.A N SER 354.A OG no hydrogen 3.021 N/A SER 357.A OG SER 354.A O no hydrogen 2.679 N/A GLY 358.A N LEU 355.A O no hydrogen 3.181 N/A ILE 359.A N GLU 356.A O no hydrogen 3.059 N/A LYS 360.A N THR 366.A OG1 no hydrogen 2.985 N/A VAL 364.A N ASP 362.A OD1 no hydrogen 3.086 N/A ILE 365.A N ASP 362.A OD1 no hydrogen 3.303 N/A THR 366.A N ASP 362.A O no hydrogen 2.985 N/A THR 366.A OG1 LYS 360.A O no hydrogen 3.011 N/A THR 366.A OG1 ASP 362.A O no hydrogen 3.176 N/A ALA 367.A N GLN 363.A O no hydrogen 2.986 N/A ILE 368.A N VAL 364.A O no hydrogen 3.331 N/A ILE 368.A N ILE 365.A O no hydrogen 3.184 N/A GLY 370.A N THR 366.A O no hydrogen 2.785 N/A LYS 372.A NZ GLU 408.A OE2 no hydrogen 3.123 N/A LYS 374.A NZ TYR 412.A O no hydrogen 2.873 N/A LYS 374.A NZ ILE 415.A O no hydrogen 2.849 N/A ASN 375.A N LYS 372.A O no hydrogen 2.848 N/A MET 377.A N ILE 423.A O no hydrogen 3.030 N/A LEU 378.A N GLU 408.A OE2 no hydrogen 2.871 N/A HIS 379.A N VAL 425.A O no hydrogen 2.769 N/A HIS 379.A NE2 GLU 381.A OE2 no hydrogen 2.758 N/A TYR 380.A OH SER 436.A OG no hydrogen 2.663 N/A GLU 381.A N SER 427.A O no hydrogen 2.828 N/A PHE 382.A N GLU 400.A OE2 no hydrogen 2.725 N/A ALA 386.A N PRO 383.A O no hydrogen 3.169 N/A THR 387.A N PRO 384.A O no hydrogen 3.202 N/A THR 387.A OG1 PRO 384.A O no hydrogen 3.344 N/A THR 387.A OG1 GLU 389.A OE1 no hydrogen 2.829 N/A ASN 388.A N TYR 385.A O no hydrogen 3.121 N/A GLU 389.A N PRO 384.A O no hydrogen 2.859 N/A ARG 398.A NH1 VAL 58.A O no hydrogen 3.321 N/A GLU 400.A N ASN 397.A OD1 no hydrogen 3.028 N/A LEU 401.A N ASN 397.A O no hydrogen 3.113 N/A GLY 402.A N ARG 398.A O no hydrogen 2.979 N/A HIS 403.A N ARG 399.A O no hydrogen 2.915 N/A HIS 403.A ND1 TYR 380.A OH no hydrogen 2.999 N/A GLY 404.A N GLU 400.A O no hydrogen 2.961 N/A ALA 405.A N LEU 401.A O no hydrogen 2.968 N/A LEU 406.A N GLY 402.A O no hydrogen 2.993 N/A ALA 407.A N HIS 403.A O no hydrogen 2.999 N/A GLU 408.A N GLY 404.A O no hydrogen 2.769 N/A LYS 409.A N ALA 405.A O no hydrogen 3.003 N/A ALA 410.A N LEU 406.A O no hydrogen 2.986 N/A LEU 411.A N ALA 407.A O no hydrogen 3.176 N/A LEU 411.A N GLU 408.A O no hydrogen 3.038 N/A TYR 412.A N GLU 408.A O no hydrogen 2.792 N/A TYR 412.A OH ASP 373.A OD2 no hydrogen 2.464 N/A VAL 414.A N LEU 411.A O no hydrogen 3.007 N/A ILE 415.A N TYR 412.A O no hydrogen 3.212 N/A ARG 417.A NH2 ASP 373.A OD1 no hydrogen 3.351 N/A THR 422.A N ASP 353.A O no hydrogen 2.825 N/A THR 422.A OG1 SER 354.A O no hydrogen 2.917 N/A ILE 423.A N ASN 375.A O no hydrogen 2.847 N/A ARG 424.A N THR 351.A O no hydrogen 2.947 N/A ARG 424.A NE ASP 353.A OD2 no hydrogen 2.954 N/A ARG 424.A NH2 ASP 353.A OD2 no hydrogen 3.399 N/A ARG 424.A NH2 SER 357.A O no hydrogen 3.320 N/A ARG 424.A NH2 SER 357.A OG no hydrogen 2.758 N/A VAL 425.A N MET 377.A O no hydrogen 2.851 N/A THR 426.A N THR 349.A O no hydrogen 2.801 N/A SER 427.A N HIS 379.A O no hydrogen 2.801 N/A GLU 428.A N LEU 347.A O no hydrogen 2.832 N/A VAL 429.A N GLU 381.A O no hydrogen 2.928 N/A LEU 430.A N GLN 345.A O no hydrogen 2.849 N/A GLU 431.A N GLN 345.A O no hydrogen 3.272 N/A SER 432.A N ALA 386.A O no hydrogen 3.104 N/A ASN 433.A N THR 344.A OG1 no hydrogen 2.810 N/A SER 436.A OG TYR 380.A OH no hydrogen 2.663 N/A ALA 439.A N SER 435.A O no hydrogen 3.372 N/A SER 440.A N SER 436.A O no hydrogen 2.843 N/A SER 440.A OG SER 436.A O no hydrogen 2.872 N/A ALA 441.A N SER 437.A O no hydrogen 3.053 N/A CYS 442.A N MET 438.A O no hydrogen 3.139 N/A CYS 442.A SG MET 438.A O no hydrogen 3.414 N/A CYS 442.A SG GLY 461.A O no hydrogen 4.004 N/A GLY 443.A N ALA 439.A O no hydrogen 2.737 N/A GLY 444.A N SER 440.A O no hydrogen 2.757 N/A SER 445.A N ALA 441.A O no hydrogen 2.919 N/A LEU 446.A N CYS 442.A O no hydrogen 3.084 N/A ALA 447.A N GLY 443.A O no hydrogen 2.901 N/A LEU 448.A N GLY 444.A O no hydrogen 2.821 N/A MET 449.A N SER 445.A O no hydrogen 3.169 N/A ASP 450.A N LEU 446.A O no hydrogen 2.821 N/A SER 451.A N ALA 447.A O no hydrogen 2.873 N/A SER 451.A N LEU 448.A O no hydrogen 3.156 N/A SER 451.A OG ALA 447.A O no hydrogen 3.528 N/A SER 451.A OG LEU 448.A O no hydrogen 2.665 N/A GLY 452.A N MET 449.A O no hydrogen 2.897 N/A VAL 453.A N LEU 448.A O no hydrogen 3.134 N/A ILE 455.A N VAL 453.A O no hydrogen 2.705 N/A SER 456.A N VAL 414.A O no hydrogen 2.929 N/A VAL 459.A N SER 445.A OG no hydrogen 2.977 N/A ALA 460.A N GLY 502.A O no hydrogen 2.992 N/A VAL 462.A N ILE 500.A O no hydrogen 2.947 N/A ILE 464.A N PHE 498.A O no hydrogen 2.827 N/A GLY 465.A N LEU 483.A O no hydrogen 2.847 N/A VAL 467.A N ARG 481.A O no hydrogen 3.004 N/A THR 468.A OG1 ASP 495.A OD2 no hydrogen 2.674 N/A LYS 469.A N ASP 479.A O no hydrogen 2.922 N/A ASP 471.A N GLU 476.A O no hydrogen 3.219 N/A LYS 474.A N ASP 471.A OD2 no hydrogen 2.810 N/A GLU 478.A N LYS 469.A O no hydrogen 2.844 N/A TYR 480.A N ASP 479.A OD1 no hydrogen 2.973 N/A TYR 480.A OH GLU 526.A OE1 no hydrogen 2.483 N/A ARG 481.A N VAL 467.A O no hydrogen 2.831 N/A ARG 481.A NE LEU 306.A O no hydrogen 3.209 N/A ARG 481.A NH1 ASP 479.A OD1 no hydrogen 3.084 N/A ARG 481.A NH1 TYR 480.A O no hydrogen 3.164 N/A ARG 481.A NH2 LEU 306.A O no hydrogen 2.755 N/A ARG 481.A NH2 ASP 479.A OD2 no hydrogen 2.800 N/A LEU 483.A N GLY 465.A O no hydrogen 2.889 N/A THR 484.A N LEU 317.A O no hydrogen 2.786 N/A THR 484.A OG1 THR 318.A O no hydrogen 3.483 N/A LEU 487.A N GLU 490.A OE1 no hydrogen 2.859 N/A GLY 488.A N ASN 433.A O no hydrogen 3.137 N/A GLU 490.A N LEU 487.A O no hydrogen 3.010 N/A ASP 491.A N LEU 487.A O no hydrogen 3.102 N/A ASP 491.A N GLY 488.A O no hydrogen 2.917 N/A TYR 492.A N GLY 488.A O no hydrogen 3.016 N/A ASN 493.A N ILE 489.A O no hydrogen 3.015 N/A GLY 494.A N ASP 491.A O no hydrogen 2.962 N/A ASP 495.A N LEU 466.A O no hydrogen 2.771 N/A ASP 497.A N ASP 513.A O no hydrogen 2.821 N/A PHE 498.A N ILE 464.A O no hydrogen 2.949 N/A LYS 499.A N GLN 511.A O no hydrogen 3.005 N/A LYS 499.A NZ GLN 511.A OE1 no hydrogen 2.799 N/A ILE 500.A N VAL 462.A O no hydrogen 3.096 N/A ALA 501.A N ALA 509.A O no hydrogen 2.927 N/A GLY 502.A N ALA 460.A O no hydrogen 2.917 N/A THR 503.A N GLY 506.A O no hydrogen 2.889 N/A THR 503.A OG1 ASN 188.A OD1 no hydrogen 2.595 N/A LYS 505.A N THR 503.A OG1 no hydrogen 3.068 N/A GLY 506.A N THR 503.A OG1 no hydrogen 3.091 N/A ILE 507.A N ILE 189.A O no hydrogen 2.904 N/A THR 508.A N ALA 501.A O no hydrogen 2.961 N/A THR 508.A OG1 ALA 410.A O no hydrogen 2.762 N/A ALA 509.A N ALA 501.A O no hydrogen 3.262 N/A LEU 510.A N ALA 184.A O no hydrogen 3.044 N/A GLN 511.A N LYS 499.A O no hydrogen 2.813 N/A GLN 511.A NE2 GLU 183.A OE1 no hydrogen 3.482 N/A GLN 511.A NE2 GLU 183.A OE2 no hydrogen 3.237 N/A ALA 512.A N LEU 182.A O no hydrogen 2.892 N/A ASP 513.A N ASP 497.A O no hydrogen 3.056 N/A LYS 515.A N ASP 495.A O no hydrogen 2.782 N/A LYS 515.A NZ ASP 491.A O no hydrogen 3.128 N/A LYS 515.A NZ TYR 492.A O no hydrogen 3.464 N/A GLY 518.A N LEU 516.A O no hydrogen 2.665 N/A ILE 519.A N ILE 179.A O no hydrogen 3.006 N/A LYS 522.A NZ TYR 480.A OH no hydrogen 3.002 N/A LYS 522.A NZ GLU 526.A OE2 no hydrogen 3.031 N/A VAL 524.A N PRO 520.A O no hydrogen 3.383 N/A MET 525.A N ILE 521.A O no hydrogen 2.942 N/A GLU 526.A N LYS 522.A O no hydrogen 3.009 N/A ALA 527.A N ILE 523.A O no hydrogen 2.906 N/A ILE 528.A N VAL 524.A O no hydrogen 2.928 N/A GLN 529.A N MET 525.A O no hydrogen 3.104 N/A GLN 530.A N GLU 526.A O no hydrogen 2.840 N/A GLN 530.A NE2 LEU 482.A O no hydrogen 3.240 N/A GLN 530.A NE2 THR 484.A OG1 no hydrogen 2.734 N/A ALA 531.A N ALA 527.A O no hydrogen 2.852 N/A SER 532.A N ILE 528.A O no hydrogen 3.003 N/A VAL 533.A N GLN 529.A O no hydrogen 3.292 N/A ALA 534.A N GLN 530.A O no hydrogen 3.350 N/A LYS 535.A N ALA 531.A O no hydrogen 2.756 N/A LYS 535.A NZ THR 503.A O no hydrogen 2.725 N/A LYS 535.A NZ GLY 506.A O no hydrogen 3.008 N/A LYS 536.A N SER 532.A O no hydrogen 3.252 N/A GLU 537.A N VAL 533.A O no hydrogen 3.099 N/A ILE 538.A N ALA 534.A O no hydrogen 2.837 N/A LEU 539.A N LYS 535.A O no hydrogen 2.858 N/A GLN 540.A N LYS 536.A O no hydrogen 2.942 N/A ILE 541.A N GLU 537.A O no hydrogen 3.284 N/A MET 542.A N ILE 538.A O no hydrogen 2.866 N/A ASN 543.A N LEU 539.A O no hydrogen 2.829 N/A LYS 544.A N ILE 541.A O no hydrogen 3.164 N/A THR 545.A N MET 542.A O no hydrogen 3.087 N/A ILE 546.A N MET 542.A O no hydrogen 3.218 N/A ARG 550.A N MET 449.A O no hydrogen 2.968 N/A ARG 550.A NE ASP 450.A O no hydrogen 2.704 N/A ARG 550.A NH2 ASP 450.A OD1 no hydrogen 2.484 N/A SER 552.A OG ARG 553.A O no hydrogen 3.055 N/A LYS 554.A NZ ASP 328.A OD1 no hydrogen 2.730 N/A LYS 554.A NZ ASP 450.A OD1 no hydrogen 3.291 N/A LYS 554.A NZ ASP 450.A OD2 no hydrogen 2.673 N/A ASN 556.A ND2 THR 332.A O no hydrogen 3.504 N/A ASN 556.A ND2 LEU 333.A O no hydrogen 3.494 N/A GLY 557.A N LYS 554.A O no hydrogen 3.053 N/A VAL 559.A N ALA 604.A O no hydrogen 2.829 N/A GLU 561.A N VAL 602.A O no hydrogen 2.937 N/A VAL 563.A N PHE 600.A O no hydrogen 2.743 N/A VAL 565.A N GLU 598.A O no hydrogen 2.567 N/A LYS 569.A N PRO 566.A O no hydrogen 2.571 N/A ARG 570.A N PRO 566.A O no hydrogen 3.137 N/A ARG 570.A N LEU 567.A O no hydrogen 3.207 N/A ARG 570.A NH2 GLN 594.A OE1 no hydrogen 3.121 N/A LYS 572.A NZ LYS 572.A O no hydrogen 3.114 N/A PHE 573.A N LYS 569.A O no hydrogen 2.789 N/A VAL 574.A N ARG 570.A O no hydrogen 2.871 N/A GLY 575.A N ALA 571.A O no hydrogen 3.149 N/A GLY 578.A N GLY 575.A O no hydrogen 3.040 N/A TYR 579.A N PRO 576.A O no hydrogen 3.042 N/A ASN 580.A N VAL 574.A O no hydrogen 2.956 N/A ASN 580.A ND2 LYS 572.A O no hydrogen 2.729 N/A ASN 580.A ND2 PHE 573.A O no hydrogen 3.240 N/A LYS 582.A N GLY 578.A O no hydrogen 3.181 N/A LYS 582.A NZ GLY 577.A O no hydrogen 3.031 N/A LYS 583.A N TYR 579.A O no hydrogen 2.878 N/A LEU 584.A N ASN 580.A O no hydrogen 2.867 N/A GLN 585.A N LEU 581.A O no hydrogen 3.032 N/A ALA 586.A N LYS 582.A O no hydrogen 3.015 N/A GLU 587.A N LYS 583.A O no hydrogen 3.034 N/A THR 588.A N LEU 584.A O no hydrogen 3.001 N/A THR 588.A OG1 LEU 584.A O no hydrogen 2.847 N/A GLY 589.A N GLN 585.A O no hydrogen 2.795 N/A VAL 590.A N THR 588.A OG1 no hydrogen 3.173 N/A THR 591.A N PHE 603.A O no hydrogen 2.807 N/A ILE 592.A N GLN 585.A OE1 no hydrogen 2.913 N/A SER 593.A N SER 601.A O no hydrogen 2.910 N/A SER 593.A OG GLU 356.A OE2 no hydrogen 2.617 N/A GLN 594.A NE2 ASP 596.A O no hydrogen 2.496 N/A VAL 595.A N THR 599.A O no hydrogen 2.641 N/A ASP 596.A N THR 599.A O no hydrogen 3.270 N/A GLU 598.A N ASP 596.A OD2 no hydrogen 2.839 N/A THR 599.A N ASP 596.A OD2 no hydrogen 2.794 N/A THR 599.A OG1 GLN 564.A OE1 no hydrogen 3.159 N/A THR 599.A OG1 ASP 596.A OD1 no hydrogen 3.097 N/A THR 599.A OG1 ASP 596.A OD2 no hydrogen 2.876 N/A PHE 600.A N VAL 563.A O no hydrogen 2.935 N/A SER 601.A N SER 593.A O no hydrogen 2.880 N/A VAL 602.A N GLU 561.A O no hydrogen 2.720 N/A PHE 603.A N THR 591.A O no hydrogen 2.769 N/A ALA 604.A N VAL 559.A O no hydrogen 2.847 N/A ALA 609.A N THR 606.A OG1 no hydrogen 3.073 N/A MET 610.A N THR 606.A O no hydrogen 3.185 N/A HIS 611.A N PRO 607.A O no hydrogen 2.930 N/A GLU 612.A N SER 608.A O no hydrogen 3.069 N/A ALA 613.A N ALA 609.A O no hydrogen 2.825 N/A ARG 614.A N MET 610.A O no hydrogen 2.646 N/A ASP 615.A N HIS 611.A O no hydrogen 2.992 N/A ASP 615.A N GLU 612.A O no hydrogen 3.173 N/A PHE 616.A N GLU 612.A O no hydrogen 2.940 N/A ILE 617.A N ALA 613.A O no hydrogen 2.852 N/A THR 618.A N ASP 615.A O no hydrogen 3.363 N/A