Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f41_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N ILE 143.A O no hydrogen 3.263 N/A ALA 11.A N PHE 99.A O no hydrogen 2.974 N/A LYS 13.A N SER 97.A O no hydrogen 3.028 N/A LYS 13.A NZ ASP 15.A OD1 no hydrogen 2.745 N/A ILE 14.A N TYR 134.A O no hydrogen 3.023 N/A ASP 15.A N ALA 95.A O no hydrogen 2.772 N/A ARG 16.A N ALA 95.A O no hydrogen 3.240 N/A ARG 16.A NE GLU 63.A OE1 no hydrogen 3.066 N/A ARG 16.A NH2 GLU 63.A OE2 no hydrogen 2.477 N/A PHE 26.A N PRO 23.A O no hydrogen 3.088 N/A ARG 27.A N ALA 55.A O no hydrogen 2.951 N/A ARG 27.A NH1 ASN 25.A O no hydrogen 3.089 N/A ARG 27.A NH1 GLY 207.A O no hydrogen 2.937 N/A ARG 27.A NH2 GLY 207.A O no hydrogen 3.249 N/A MET 28.A N ASP 31.A OD1 no hydrogen 3.075 N/A GLY 29.A N VAL 53.A O no hydrogen 2.701 N/A ASP 31.A N MET 28.A O no hydrogen 2.948 N/A TYR 33.A OH PRO 43.A O no hydrogen 2.868 N/A VAL 34.A N LEU 238.A O no hydrogen 3.003 N/A THR 37.A OG1 THR 39.A OG1 no hydrogen 3.200 N/A THR 37.A OG1 ILE 41.A O no hydrogen 2.883 N/A THR 39.A OG1 THR 37.A OG1 no hydrogen 3.200 N/A GLY 40.A N THR 37.A O no hydrogen 3.147 N/A GLY 40.A N THR 37.A OG1 no hydrogen 3.111 N/A ILE 41.A N THR 39.A OG1 no hydrogen 3.122 N/A ARG 45.A NH1 ASP 31.A O no hydrogen 2.487 N/A ARG 45.A NH2 ASP 31.A O no hydrogen 2.979 N/A MET 48.A N ARG 45.A O no hydrogen 3.009 N/A THR 50.A OG1 GLY 47.A O no hydrogen 3.441 N/A SER 54.A N LEU 200.A O no hydrogen 3.043 N/A SER 54.A OG HIS 201.A ND1 no hydrogen 2.644 N/A ALA 55.A N ARG 27.A O no hydrogen 2.919 N/A SER 56.A N TYR 202.A O no hydrogen 2.953 N/A SER 56.A OG SER 57.A O no hydrogen 2.615 N/A SER 56.A OG HIS 201.A NE2 no hydrogen 3.008 N/A SER 57.A N ARG 24.A O no hydrogen 2.996 N/A SER 57.A OG ARG 24.A O no hydrogen 3.064 N/A SER 57.A OG CYS 58.A O no hydrogen 3.140 N/A CYS 58.A N TYR 205.A O no hydrogen 2.876 N/A CYS 58.A SG TYR 205.A O no hydrogen 3.549 N/A SER 60.A N GLU 63.A OE1 no hydrogen 2.775 N/A SER 60.A OG ASP 18.A OD1 no hydrogen 3.027 N/A GLU 61.A N GLY 93.A O no hydrogen 2.821 N/A LYS 62.A N ASP 18.A OD1 no hydrogen 2.718 N/A GLU 63.A N SER 60.A OG no hydrogen 3.078 N/A LEU 64.A N SER 60.A O no hydrogen 3.015 N/A GLU 65.A N GLU 61.A O no hydrogen 3.091 N/A ALA 66.A N LYS 62.A O no hydrogen 3.266 N/A ILE 67.A N GLU 63.A O no hydrogen 3.115 N/A LEU 68.A N LEU 64.A O no hydrogen 2.941 N/A LYS 69.A N GLU 65.A O no hydrogen 2.738 N/A LYS 70.A N ALA 66.A O no hydrogen 2.813 N/A VAL 71.A N ILE 67.A O no hydrogen 2.775 N/A LYS 74.A N GLN 77.A OE1 no hydrogen 3.076 N/A GLN 77.A N LYS 74.A O no hydrogen 2.802 N/A PHE 78.A N PRO 75.A O no hydrogen 3.048 N/A TYR 79.A N TRP 199.A O no hydrogen 2.858 N/A ASP 80.A N ASN 167.A O no hydrogen 2.981 N/A VAL 81.A N HIS 201.A O no hydrogen 2.860 N/A ASP 82.A N PHE 169.A O no hydrogen 2.762 N/A LEU 83.A N HIS 203.A O no hydrogen 3.064 N/A ARG 84.A N ASP 82.A OD1 no hydrogen 3.228 N/A ARG 84.A NE GLU 86.A OE2 no hydrogen 2.846 N/A ARG 84.A NH1 ASP 15.A OD2 no hydrogen 2.968 N/A ARG 84.A NH2 ASP 15.A OD2 no hydrogen 2.864 N/A ARG 84.A NH2 GLU 86.A OE2 no hydrogen 3.510 N/A GLY 85.A N LEU 173.A O no hydrogen 2.866 N/A GLU 86.A N GLU 86.A OE1 no hydrogen 2.884 N/A SER 87.A OG GLN 121.A OE1 no hydrogen 2.632 N/A HIS 88.A N GLU 118.A OE2 no hydrogen 2.789 N/A HIS 88.A ND1 GLU 86.A O no hydrogen 3.147 N/A HIS 88.A NE2 ASP 82.A OD2 no hydrogen 2.582 N/A GLY 89.A N VAL 96.A O no hydrogen 2.961 N/A TYR 90.A N ARG 155.A O no hydrogen 2.726 N/A TYR 90.A OH PHE 59.A O no hydrogen 2.760 N/A LEU 91.A N THR 94.A O no hydrogen 3.047 N/A ASN 92.A N LYS 153.A O no hydrogen 2.795 N/A THR 94.A N LEU 91.A O no hydrogen 3.036 N/A ALA 95.A N ARG 16.A O no hydrogen 2.930 N/A VAL 96.A N GLY 89.A O no hydrogen 3.071 N/A SER 97.A N LYS 13.A O no hydrogen 3.091 N/A SER 97.A OG ASP 15.A OD1 no hydrogen 2.737 N/A SER 97.A OG ASP 15.A OD2 no hydrogen 3.094 N/A TRP 98.A N SER 87.A O no hydrogen 2.879 N/A PHE 99.A N ALA 11.A O no hydrogen 2.922 N/A TRP 104.A N ALA 100.A O no hydrogen 3.366 N/A TRP 104.A N ASN 101.A O no hydrogen 3.418 N/A TRP 104.A NE1 ASP 175.A O no hydrogen 2.944 N/A ASN 106.A ND2 GLY 85.A O no hydrogen 2.906 N/A ASN 106.A ND2 SER 87.A OG no hydrogen 3.065 N/A ASP 107.A N TRP 104.A O no hydrogen 3.115 N/A ARG 109.A N ASN 106.A O no hydrogen 2.970 N/A ARG 109.A NE ASP 556.A OD1 no hydrogen 3.446 N/A ARG 109.A NE ASP 556.A OD2 no hydrogen 2.871 N/A ARG 109.A NH1 ASN 106.A OD1 no hydrogen 2.829 N/A ARG 109.A NH2 ASP 556.A OD1 no hydrogen 3.007 N/A THR 110.A OG1 ASP 112.A OD1 no hydrogen 2.530 N/A ILE 113.A N THR 110.A O no hydrogen 3.097 N/A ILE 114.A N THR 110.A O no hydrogen 2.931 N/A ILE 115.A N GLU 111.A O no hydrogen 3.052 N/A LEU 117.A N ILE 113.A O no hydrogen 3.005 N/A GLU 118.A N ILE 114.A O no hydrogen 2.996 N/A LYS 119.A N ILE 115.A O no hydrogen 3.099 N/A GLU 120.A N PRO 116.A O no hydrogen 3.059 N/A GLN 121.A N LEU 117.A O no hydrogen 2.793 N/A LEU 122.A N GLU 118.A O no hydrogen 2.934 N/A ALA 123.A N LYS 119.A O no hydrogen 2.826 N/A SER 124.A N GLU 120.A O no hydrogen 2.856 N/A SER 124.A OG GLN 121.A O no hydrogen 2.780 N/A LEU 125.A N LEU 122.A O no hydrogen 2.987 N/A LYS 126.A N ALA 123.A O no hydrogen 3.119 N/A SER 128.A OG VAL 130.A O no hydrogen 3.343 N/A LYS 131.A N VAL 149.A O no hydrogen 3.026 N/A ILE 133.A N VAL 147.A O no hydrogen 3.131 N/A TYR 134.A N LEU 12.A O no hydrogen 3.237 N/A ARG 135.A N LEU 144.A O no hydrogen 2.953 N/A ARG 135.A NE SER 145.A O no hydrogen 2.606 N/A ARG 135.A NH2 SER 145.A O no hydrogen 2.844 N/A ASP 137.A N VAL 142.A O no hydrogen 3.093 N/A LYS 139.A N ASP 137.A OD2 no hydrogen 3.285 N/A LYS 140.A N ASP 137.A OD2 no hydrogen 3.439 N/A LEU 144.A N ARG 135.A O no hydrogen 2.570 N/A SER 145.A N ALA 2.A O no hydrogen 2.860 N/A VAL 147.A N ILE 133.A O no hydrogen 3.284 N/A VAL 149.A N LYS 131.A O no hydrogen 2.840 N/A TYR 151.A N THR 129.A O no hydrogen 2.891 N/A TYR 151.A OH LEU 125.A O no hydrogen 3.002 N/A ASN 152.A N ASN 92.A OD1 no hydrogen 2.993 N/A ARG 155.A N TYR 90.A O no hydrogen 2.941 N/A ARG 155.A NH1 GLU 61.A OE2 no hydrogen 3.152 N/A ARG 155.A NH1 GLN 163.A OE1 no hydrogen 3.084 N/A ARG 155.A NH2 GLU 61.A OE1 no hydrogen 2.781 N/A ARG 155.A NH2 GLU 61.A OE2 no hydrogen 3.288 N/A ARG 155.A NH2 ASN 92.A O no hydrogen 2.439 N/A THR 156.A N GLU 159.A OE2 no hydrogen 3.089 N/A GLU 159.A N THR 156.A OG1 no hydrogen 3.185 N/A MET 160.A N THR 156.A O no hydrogen 3.204 N/A VAL 161.A N GLU 157.A O no hydrogen 3.012 N/A LYS 162.A N GLU 158.A O no hydrogen 2.925 N/A GLN 163.A N GLU 159.A O no hydrogen 3.063 N/A HIS 164.A N VAL 161.A O no hydrogen 3.047 N/A HIS 164.A ND1 MET 160.A O no hydrogen 2.991 N/A GLY 165.A N LYS 162.A O no hydrogen 2.787 N/A ALA 166.A N VAL 161.A O no hydrogen 3.438 N/A ASN 167.A N PHE 78.A O no hydrogen 2.726 N/A ASN 167.A ND2 SER 76.A O no hydrogen 3.106 N/A ASN 167.A ND2 PHE 78.A O no hydrogen 2.827 N/A TYR 168.A OH ASP 82.A OD2 no hydrogen 2.634 N/A PHE 169.A N ASP 80.A O no hydrogen 2.985 N/A ARG 170.A NE ARG 84.A O no hydrogen 2.921 N/A ARG 170.A NH1 GLU 118.A OE1 no hydrogen 3.053 N/A ARG 170.A NH1 TYR 168.A OH no hydrogen 3.327 N/A ARG 170.A NH2 ARG 84.A O no hydrogen 3.161 N/A ARG 170.A NH2 GLU 118.A OE1 no hydrogen 3.500 N/A ARG 170.A NH2 GLU 118.A OE2 no hydrogen 3.038 N/A LEU 171.A N ASP 82.A O no hydrogen 2.838 N/A GLN 174.A NE2 ARG 109.A O no hydrogen 3.562 N/A ARG 178.A NE PRO 179.A O no hydrogen 2.806 N/A ARG 178.A NH2 PRO 179.A O no hydrogen 2.891 N/A ARG 178.A NH2 ASP 181.A OD1 no hydrogen 2.822 N/A ASP 181.A N SER 294.A OG no hydrogen 2.981 N/A ASP 183.A N ASP 180.A O no hydrogen 2.925 N/A VAL 184.A N ASP 180.A O no hydrogen 3.097 N/A ASP 185.A N ASP 181.A O no hydrogen 2.822 N/A LYS 186.A N PRO 182.A O no hydrogen 2.867 N/A LYS 186.A NZ GLU 111.A OE1 no hydrogen 2.664 N/A LYS 186.A NZ GLU 111.A OE2 no hydrogen 3.216 N/A LYS 186.A NZ ARG 170.A O no hydrogen 3.198 N/A PHE 187.A N ASP 183.A O no hydrogen 2.803 N/A LEU 188.A N VAL 184.A O no hydrogen 2.831 N/A GLU 189.A N ASP 185.A O no hydrogen 2.958 N/A PHE 190.A N LYS 186.A O no hydrogen 3.226 N/A TYR 191.A N PHE 187.A O no hydrogen 2.928 N/A LYS 192.A N LEU 188.A O no hydrogen 2.833 N/A LYS 192.A NZ LEU 279.A O no hydrogen 2.643 N/A SER 193.A N GLU 189.A O no hydrogen 3.293 N/A SER 193.A N PHE 190.A O no hydrogen 3.243 N/A SER 193.A OG GLU 189.A O no hydrogen 3.401 N/A SER 193.A OG PHE 190.A O no hydrogen 2.749 N/A LEU 194.A N TYR 191.A O no hydrogen 3.360 N/A ALA 198.A N PRO 195.A O no hydrogen 2.833 N/A TRP 199.A N GLN 77.A O no hydrogen 2.802 N/A TRP 199.A NE1 SER 54.A OG no hydrogen 2.858 N/A LEU 200.A N ASN 52.A O no hydrogen 3.363 N/A HIS 201.A N TYR 79.A O no hydrogen 2.935 N/A HIS 201.A ND1 SER 54.A OG no hydrogen 2.644 N/A HIS 201.A NE2 SER 56.A OG no hydrogen 3.008 N/A TYR 202.A N SER 54.A O no hydrogen 3.107 N/A TYR 202.A OH HIS 218.A ND1 no hydrogen 2.796 N/A HIS 203.A N VAL 81.A O no hydrogen 3.345 N/A HIS 203.A ND1 CYS 204.A O no hydrogen 3.164 N/A HIS 203.A NE2 GLU 157.A OE1 no hydrogen 2.524 N/A CYS 204.A SG THR 211.A OG1 no hydrogen 3.068 N/A TYR 205.A OH ASP 138.A OD1 no hydrogen 2.493 N/A ARG 210.A NH1 GLU 86.A OE2 no hydrogen 3.366 N/A ARG 210.A NH2 GLU 86.A OE1 no hydrogen 2.983 N/A ARG 210.A NH2 LEU 173.A O no hydrogen 2.733 N/A THR 212.A N MET 208.A O no hydrogen 2.700 N/A THR 212.A OG1 MET 208.A O no hydrogen 2.227 N/A ILE 213.A N GLY 209.A O no hydrogen 2.968 N/A PHE 214.A N ARG 210.A O no hydrogen 2.976 N/A MET 215.A N THR 211.A O no hydrogen 2.842 N/A VAL 216.A N THR 212.A O no hydrogen 2.970 N/A MET 217.A N ILE 213.A O no hydrogen 2.901 N/A HIS 218.A N PHE 214.A O no hydrogen 2.812 N/A HIS 218.A ND1 TYR 202.A OH no hydrogen 2.796 N/A HIS 218.A NE2 MET 51.A O no hydrogen 2.922 N/A ASP 219.A N MET 215.A O no hydrogen 2.985 N/A ILE 220.A N VAL 216.A O no hydrogen 2.849 N/A LEU 221.A N MET 217.A O no hydrogen 2.747 N/A LYS 222.A N HIS 218.A O no hydrogen 2.934 N/A LYS 222.A NZ TYR 191.A OH no hydrogen 3.539 N/A ASN 223.A N ASP 219.A O no hydrogen 2.819 N/A ASN 223.A ND2 GLY 47.A O no hydrogen 3.390 N/A ASN 223.A ND2 ASP 219.A O no hydrogen 3.666 N/A ASN 223.A ND2 ASP 219.A OD1 no hydrogen 3.232 N/A ALA 224.A N ILE 220.A O no hydrogen 3.016 N/A ASP 226.A N ASN 223.A O no hydrogen 3.189 N/A VAL 227.A N ASN 223.A O no hydrogen 2.829 N/A ASP 231.A N SER 228.A OG no hydrogen 3.119 N/A ILE 232.A N SER 228.A O no hydrogen 3.077 N/A ILE 233.A N PHE 229.A O no hydrogen 2.962 N/A GLN 234.A N ASP 230.A O no hydrogen 3.064 N/A GLN 234.A NE2 ASP 243.A OD2 no hydrogen 2.967 N/A ARG 235.A N ASP 231.A O no hydrogen 2.848 N/A ARG 235.A NE ASP 219.A OD2 no hydrogen 3.205 N/A ARG 235.A NH1 THR 44.A O no hydrogen 3.158 N/A ARG 235.A NH1 LYS 46.A O no hydrogen 2.881 N/A ARG 235.A NH2 LYS 46.A O no hydrogen 2.947 N/A ARG 235.A NH2 ASP 219.A OD1 no hydrogen 2.830 N/A GLN 236.A N ILE 232.A O no hydrogen 3.007 N/A GLN 236.A NE2 ASP 219.A OD2 no hydrogen 2.702 N/A LYS 237.A N ILE 233.A O no hydrogen 3.220 N/A LEU 238.A N GLN 234.A O no hydrogen 2.996 N/A ILE 239.A N ARG 235.A O no hydrogen 3.072 N/A GLY 240.A N LYS 237.A O no hydrogen 3.311 N/A SER 245.A N ASP 243.A OD1 no hydrogen 2.845 N/A SER 245.A OG ASP 243.A OD1 no hydrogen 2.638 N/A SER 245.A OG ASP 243.A OD2 no hydrogen 3.416 N/A GLU 246.A N ASP 243.A O no hydrogen 3.087 N/A LYS 251.A N PRO 248.A O no hydrogen 3.054 N/A TYR 254.A N ASN 253.A OD1 no hydrogen 2.671 N/A ARG 256.A N LYS 252.A O no hydrogen 3.111 N/A ARG 256.A NH1 PRO 248.A O no hydrogen 2.947 N/A ARG 256.A NH1 LYS 251.A O no hydrogen 2.919 N/A LYS 257.A N ASN 253.A O no hydrogen 3.167 N/A ALA 258.A N TYR 254.A O no hydrogen 3.154 N/A TYR 259.A N GLY 255.A O no hydrogen 3.153 N/A ILE 260.A N ARG 256.A O no hydrogen 3.007 N/A GLU 261.A N LYS 257.A O no hydrogen 2.852 N/A ARG 262.A N ALA 258.A O no hydrogen 2.949 N/A TYR 263.A N TYR 259.A O no hydrogen 3.083 N/A GLN 264.A N ILE 260.A O no hydrogen 2.909 N/A PHE 265.A N GLU 261.A O no hydrogen 2.890 N/A VAL 266.A N ARG 262.A O no hydrogen 3.262 N/A GLN 267.A N TYR 263.A O no hydrogen 3.391 N/A HIS 268.A N GLN 264.A O no hydrogen 2.956 N/A PHE 269.A N PHE 265.A O no hydrogen 2.799 N/A TYR 270.A N VAL 266.A O no hydrogen 2.897 N/A TYR 270.A OH VAL 227.A O no hydrogen 2.780 N/A ASP 271.A N GLN 267.A O no hydrogen 3.054 N/A TYR 272.A N HIS 268.A O no hydrogen 2.856 N/A TYR 272.A OH THR 281.A O no hydrogen 2.762 N/A VAL 273.A N PHE 269.A O no hydrogen 3.095 N/A LYS 274.A N TYR 270.A O no hydrogen 2.983 N/A LYS 274.A NZ ALA 224.A O no hydrogen 3.253 N/A GLU 275.A N ASP 271.A O no hydrogen 3.139 N/A GLU 275.A N TYR 272.A O no hydrogen 3.147 N/A ASN 276.A N VAL 273.A O no hydrogen 3.368 N/A ASN 276.A ND2 TYR 272.A O no hydrogen 3.088 N/A LEU 279.A N ASN 276.A O no hydrogen 2.896 N/A LYS 280.A N ASP 278.A OD1 no hydrogen 2.988 N/A THR 281.A OG1 ASN 276.A OD1 no hydrogen 3.086 N/A SER 284.A N ASP 185.A OD1 no hydrogen 2.938 N/A SER 284.A OG ASP 185.A OD1 no hydrogen 3.448 N/A SER 284.A OG ASP 185.A OD2 no hydrogen 2.387 N/A TRP 286.A N PRO 282.A O no hydrogen 2.969 N/A TRP 286.A NE1 GLU 275.A OE2 no hydrogen 2.976 N/A ALA 287.A N TYR 283.A O no hydrogen 2.740 N/A LYS 288.A N SER 284.A O no hydrogen 2.887 N/A LYS 289.A N VAL 285.A O no hydrogen 2.959 N/A ASN 290.A N TRP 286.A O no hydrogen 2.939 N/A ASN 290.A ND2 TRP 286.A O no hydrogen 3.073 N/A LYS 291.A N LYS 288.A O no hydrogen 3.057 N/A VAL 292.A N ALA 287.A O no hydrogen 2.775 N/A ASN 293.A ND2 SER 294.A O no hydrogen 2.896 N/A SER 294.A N ASP 181.A OD2 no hydrogen 2.565 N/A SER 294.A OG GLU 296.A OE2 no hydrogen 3.189 N/A ASN 300.A N ASP 298.A OD1 no hydrogen 3.143 N/A TYR 302.A N TYR 399.A O no hydrogen 2.819 N/A ARG 305.A N SER 397.A O no hydrogen 2.703 N/A LEU 306.A N ALA 433.A O no hydrogen 2.808 N/A ASP 307.A N ALA 395.A O no hydrogen 2.706 N/A THR 308.A N ALA 395.A O no hydrogen 3.234 N/A THR 308.A OG1 LYS 309.A O no hydrogen 3.524 N/A THR 308.A OG1 GLU 362.A OE1 no hydrogen 2.556 N/A THR 308.A OG1 GLU 362.A OE2 no hydrogen 3.445 N/A ASP 310.A N ASN 394.A OD1 no hydrogen 2.621 N/A ARG 311.A NH2 LEU 314.A O no hydrogen 2.916 N/A ASN 317.A ND2 ALA 504.A O no hydrogen 2.651 N/A ARG 319.A N GLY 354.A O no hydrogen 3.002 N/A ARG 319.A NH1 ASN 317.A O no hydrogen 2.974 N/A ARG 319.A NH1 GLY 505.A O no hydrogen 2.873 N/A ARG 319.A NH2 GLY 505.A O no hydrogen 3.500 N/A THR 320.A N SER 323.A OG no hydrogen 2.730 N/A MET 321.A N MET 352.A O no hydrogen 3.171 N/A ASN 322.A ND2 ASP 348.A OD2 no hydrogen 3.348 N/A SER 323.A N THR 320.A O no hydrogen 3.015 N/A SER 323.A OG THR 320.A O no hydrogen 3.019 N/A ARG 326.A N LEU 535.A O no hydrogen 2.918 N/A ARG 326.A NE TYR 534.A O no hydrogen 2.997 N/A ARG 326.A NH1 ASP 328.A OD1 no hydrogen 2.973 N/A ARG 326.A NH2 TYR 534.A O no hydrogen 2.943 N/A ASN 330.A N TYR 534.A OH no hydrogen 3.057 N/A LYS 332.A N ASN 330.A OD1 no hydrogen 2.687 N/A LYS 333.A N ASN 330.A O no hydrogen 2.950 N/A THR 334.A N VAL 331.A O no hydrogen 3.166 N/A THR 334.A OG1 VAL 331.A O no hydrogen 2.903 N/A LYS 336.A NZ GLU 566.A OE1 no hydrogen 3.102 N/A LYS 336.A NZ GLU 566.A OE2 no hydrogen 3.456 N/A PHE 338.A N GLY 335.A O no hydrogen 3.110 N/A THR 339.A N SER 531.A OG no hydrogen 3.088 N/A THR 341.A N THR 339.A OG1 no hydrogen 3.029 N/A THR 341.A OG1 THR 339.A OG1 no hydrogen 3.195 N/A THR 343.A N ASP 528.A OD1 no hydrogen 3.364 N/A ARG 344.A NH1 MET 321.A O no hydrogen 3.361 N/A ARG 344.A NH1 SER 323.A O no hydrogen 2.575 N/A ARG 344.A NH2 SER 323.A O no hydrogen 3.010 N/A LYS 345.A N THR 343.A OG1 no hydrogen 3.381 N/A LEU 350.A N LEU 347.A O no hydrogen 3.126 N/A MET 352.A N LEU 350.A O no hydrogen 3.032 N/A SER 353.A N LEU 498.A O no hydrogen 2.908 N/A SER 353.A OG HIS 499.A ND1 no hydrogen 2.586 N/A GLY 354.A N ARG 319.A O no hydrogen 2.929 N/A SER 355.A N PHE 500.A O no hydrogen 3.042 N/A SER 355.A OG ALA 356.A O no hydrogen 2.926 N/A SER 355.A OG HIS 499.A NE2 no hydrogen 2.762 N/A ALA 356.A N ARG 316.A O no hydrogen 2.992 N/A GLU 357.A N GLN 503.A O no hydrogen 3.113 N/A PHE 358.A N GLU 357.A OE2 no hydrogen 2.876 N/A SER 359.A N GLU 362.A OE1 no hydrogen 2.901 N/A SER 359.A OG LYS 309.A O no hydrogen 3.359 N/A SER 359.A OG GLU 362.A OE1 no hydrogen 2.749 N/A ASN 360.A N GLY 393.A O no hydrogen 2.970 N/A GLY 361.A N ASP 310.A OD1 no hydrogen 2.781 N/A LEU 363.A N SER 359.A O no hydrogen 3.053 N/A GLN 364.A N ASN 360.A O no hydrogen 3.146 N/A GLN 364.A NE2 ASN 360.A OD1 no hydrogen 3.162 N/A GLN 364.A NE2 ASN 462.A OD1 no hydrogen 2.924 N/A ALA 365.A N GLY 361.A O no hydrogen 3.202 N/A MET 366.A N GLU 362.A O no hydrogen 3.297 N/A MET 366.A N LEU 363.A O no hydrogen 3.116 N/A LEU 367.A N LEU 363.A O no hydrogen 3.281 N/A LEU 370.A N MET 366.A O no hydrogen 2.867 N/A LYS 371.A N LEU 367.A O no hydrogen 2.706 N/A GLN 372.A N PRO 368.A O no hydrogen 3.100 N/A GLN 373.A N LEU 370.A O no hydrogen 3.189 N/A ALA 374.A N LEU 370.A O no hydrogen 2.780 N/A LYS 375.A NZ GLN 373.A O no hydrogen 3.401 N/A TYR 379.A N TRP 497.A O no hydrogen 2.590 N/A ILE 380.A N HIS 465.A O no hydrogen 3.075 N/A MET 381.A N HIS 499.A O no hydrogen 2.724 N/A ASP 382.A N TYR 467.A O no hydrogen 3.051 N/A LEU 383.A N HIS 501.A O no hydrogen 3.033 N/A ARG 384.A N ASP 382.A OD1 no hydrogen 2.901 N/A ARG 384.A NE GLU 386.A OE2 no hydrogen 2.927 N/A ARG 384.A NH1 ASP 307.A OD2 no hydrogen 3.242 N/A ARG 384.A NH1 GLU 357.A OE1 no hydrogen 2.762 N/A ARG 384.A NH2 ASP 307.A OD1 no hydrogen 3.548 N/A ARG 384.A NH2 ASP 307.A OD2 no hydrogen 3.504 N/A ARG 384.A NH2 GLU 386.A OE2 no hydrogen 3.396 N/A GLN 385.A N ALA 471.A O no hydrogen 3.036 N/A GLU 386.A N GLU 386.A OE1 no hydrogen 2.722 N/A THR 387.A OG1 ASP 417.A OD2 no hydrogen 2.667 N/A HIS 388.A N GLU 418.A OE2 no hydrogen 3.135 N/A HIS 388.A NE2 ASP 382.A OD2 no hydrogen 2.658 N/A GLY 389.A N VAL 396.A O no hydrogen 2.877 N/A VAL 390.A N MET 453.A O no hydrogen 2.808 N/A PHE 391.A N ASN 394.A O no hydrogen 2.682 N/A ASN 392.A N SER 451.A O no hydrogen 2.877 N/A ASN 392.A ND2 LYS 448.A O no hydrogen 3.110 N/A ASN 394.A N PHE 391.A O no hydrogen 2.735 N/A ASN 394.A ND2 PHE 391.A O no hydrogen 3.395 N/A ALA 395.A N THR 308.A O no hydrogen 3.052 N/A VAL 396.A N GLY 389.A O no hydrogen 2.887 N/A SER 397.A N ARG 305.A O no hydrogen 2.948 N/A SER 397.A OG ASP 307.A OD1 no hydrogen 2.611 N/A SER 397.A OG ASP 307.A OD2 no hydrogen 3.169 N/A TRP 398.A N THR 387.A O no hydrogen 2.866 N/A TYR 399.A N ILE 303.A O no hydrogen 2.944 N/A ASP 403.A N GLY 400.A O no hydrogen 2.639 N/A TRP 404.A N LEU 401.A O no hydrogen 3.029 N/A TRP 404.A NE1 ASP 473.A O no hydrogen 2.799 N/A ASN 406.A ND2 GLN 385.A O no hydrogen 2.820 N/A ASN 406.A ND2 THR 387.A OG1 no hydrogen 3.151 N/A LEU 407.A N TRP 404.A O no hydrogen 3.276 N/A LYS 409.A N ASN 406.A O no hydrogen 3.009 N/A LYS 409.A NZ GLY 405.A O no hydrogen 3.308 N/A LYS 409.A NZ ASN 406.A OD1 no hydrogen 3.088 N/A ASN 410.A N GLU 413.A OE1 no hydrogen 3.080 N/A LYS 411.A NZ ARG 468.A O no hydrogen 2.898 N/A LYS 411.A NZ GLU 484.A OE2 no hydrogen 2.948 N/A GLU 413.A N ASN 410.A OD1 no hydrogen 2.644 N/A VAL 414.A N ASN 410.A O no hydrogen 3.092 N/A LEU 415.A N LYS 411.A O no hydrogen 3.059 N/A LYS 416.A N ALA 412.A O no hydrogen 3.063 N/A ASP 417.A N GLU 413.A O no hydrogen 2.938 N/A GLU 418.A N VAL 414.A O no hydrogen 2.731 N/A ASN 419.A N LEU 415.A O no hydrogen 2.867 N/A ASN 419.A ND2 LEU 415.A O no hydrogen 2.961 N/A SER 420.A N LYS 416.A O no hydrogen 3.109 N/A ARG 421.A N ASP 417.A O no hydrogen 2.916 N/A ARG 421.A NE ASP 417.A OD1 no hydrogen 3.091 N/A ARG 421.A NE ASP 417.A OD2 no hydrogen 3.100 N/A ARG 421.A NH2 ASP 417.A OD1 no hydrogen 3.519 N/A LEU 422.A N GLU 418.A O no hydrogen 3.072 N/A ASN 423.A N ASN 419.A O no hydrogen 3.114 N/A ALA 424.A N SER 420.A O no hydrogen 2.898 N/A ALA 425.A N LEU 422.A O no hydrogen 3.010 N/A ARG 426.A N LEU 422.A O no hydrogen 3.306 N/A ARG 426.A N ASN 423.A O no hydrogen 2.817 N/A ARG 426.A NH1 ASN 423.A OD1 no hydrogen 2.706 N/A GLY 427.A N ILE 449.A O no hydrogen 2.900 N/A LYS 428.A N ALA 425.A O no hydrogen 3.027 N/A LYS 428.A NZ ALA 424.A O no hydrogen 2.841 N/A LEU 430.A N VAL 447.A O no hydrogen 3.036 N/A ALA 433.A N TRP 304.A O no hydrogen 3.155 N/A ASP 436.A N MET 440.A O no hydrogen 3.016 N/A ASP 438.A N ASP 436.A OD1 no hydrogen 2.593 N/A LYS 439.A N ASP 436.A O no hydrogen 2.883 N/A MET 440.A N ASP 436.A OD1 no hydrogen 3.092 N/A ILE 442.A N GLU 434.A O no hydrogen 2.831 N/A VAL 447.A N LEU 430.A O no hydrogen 2.869 N/A LYS 448.A NZ GLY 427.A O no hydrogen 3.397 N/A ILE 449.A N LYS 428.A O no hydrogen 3.041 N/A GLU 450.A N ASN 392.A OD1 no hydrogen 2.586 N/A SER 451.A N ASN 392.A OD1 no hydrogen 2.921 N/A MET 453.A N VAL 390.A O no hydrogen 3.123 N/A THR 454.A N GLN 457.A OE1 no hydrogen 2.878 N/A GLN 456.A NE2 GLU 460.A OE2 no hydrogen 2.946 N/A GLN 457.A N THR 454.A OG1 no hydrogen 2.993 N/A LEU 458.A N THR 454.A O no hydrogen 3.245 N/A VAL 459.A N GLU 455.A O no hydrogen 2.865 N/A GLU 460.A N GLN 456.A O no hydrogen 2.876 N/A LYS 461.A N GLN 457.A O no hydrogen 2.950 N/A ASN 462.A N VAL 459.A O no hydrogen 3.096 N/A ASN 462.A ND2 LEU 458.A O no hydrogen 2.696 N/A GLY 463.A N GLU 460.A O no hydrogen 2.894 N/A LEU 464.A N VAL 459.A O no hydrogen 3.164 N/A HIS 465.A N ILE 378.A O no hydrogen 3.152 N/A TYR 466.A OH ASP 382.A OD2 no hydrogen 2.695 N/A TYR 467.A N ILE 380.A O no hydrogen 3.107 N/A TYR 467.A OH GLU 484.A OE2 no hydrogen 2.998 N/A ARG 468.A NE ARG 384.A O no hydrogen 2.640 N/A ARG 468.A NH1 GLU 418.A OE1 no hydrogen 2.874 N/A ARG 468.A NH1 GLU 418.A OE2 no hydrogen 3.035 N/A ARG 468.A NH1 TYR 466.A OH no hydrogen 3.328 N/A ARG 468.A NH2 ARG 384.A O no hydrogen 2.832 N/A ARG 468.A NH2 GLU 418.A OE2 no hydrogen 2.607 N/A ILE 469.A N ASP 382.A O no hydrogen 2.956 N/A ALA 471.A N ILE 469.A O no hydrogen 2.953 N/A THR 472.A OG1 GLN 385.A OE1 no hydrogen 2.652 N/A ASN 481.A N SER 478.A OG no hydrogen 3.106 N/A ILE 482.A N SER 478.A O no hydrogen 2.814 N/A ASP 483.A N ALA 479.A O no hydrogen 3.031 N/A GLU 484.A N ALA 480.A O no hydrogen 2.843 N/A PHE 485.A N ASN 481.A O no hydrogen 3.309 N/A PHE 485.A N ILE 482.A O no hydrogen 3.072 N/A ILE 486.A N ILE 482.A O no hydrogen 3.006 N/A ASN 487.A N ASP 483.A O no hydrogen 2.777 N/A PHE 488.A N GLU 484.A O no hydrogen 3.245 N/A THR 489.A N PHE 485.A O no hydrogen 3.059 N/A THR 489.A OG1 ILE 486.A O no hydrogen 2.611 N/A ARG 490.A N ASN 487.A O no hydrogen 2.829 N/A ARG 490.A NE ASN 487.A OD1 no hydrogen 3.102 N/A ARG 490.A NH1 PHE 580.A O no hydrogen 3.459 N/A ARG 490.A NH2 ASN 487.A OD1 no hydrogen 3.552 N/A ARG 490.A NH2 PHE 580.A O no hydrogen 3.141 N/A TRP 497.A N PRO 377.A O no hydrogen 2.861 N/A TRP 497.A NE1 SER 353.A OG no hydrogen 3.014 N/A LEU 498.A N TYR 351.A O no hydrogen 2.934 N/A HIS 499.A N TYR 379.A O no hydrogen 2.746 N/A HIS 499.A ND1 SER 353.A OG no hydrogen 2.586 N/A HIS 499.A NE2 SER 355.A OG no hydrogen 2.762 N/A PHE 500.A N SER 353.A O no hydrogen 2.899 N/A HIS 501.A N MET 381.A O no hydrogen 3.132 N/A HIS 501.A ND1 CYS 502.A O no hydrogen 3.114 N/A HIS 501.A NE2 GLU 455.A OE2 no hydrogen 2.560 N/A CYS 502.A SG THR 509.A OG1 no hydrogen 3.225 N/A GLN 503.A NE2 ASP 307.A OD1 no hydrogen 2.908 N/A ARG 508.A NH1 GLU 386.A OE1 no hydrogen 2.817 N/A ARG 508.A NH1 GLU 386.A OE2 no hydrogen 3.298 N/A ARG 508.A NH1 ALA 471.A O no hydrogen 2.956 N/A ARG 508.A NH2 GLU 386.A OE2 no hydrogen 2.967 N/A THR 510.A N ALA 506.A O no hydrogen 3.178 N/A THR 510.A OG1 ALA 506.A O no hydrogen 2.509 N/A ALA 511.A N GLY 507.A O no hydrogen 3.265 N/A TYR 512.A N ARG 508.A O no hydrogen 3.117 N/A MET 513.A N THR 509.A O no hydrogen 3.013 N/A ALA 514.A N THR 510.A O no hydrogen 2.860 N/A MET 515.A N ALA 511.A O no hydrogen 2.988 N/A TYR 516.A N TYR 512.A O no hydrogen 2.797 N/A ASP 517.A N MET 513.A O no hydrogen 2.914 N/A MET 518.A N ALA 514.A O no hydrogen 3.017 N/A MET 519.A N MET 515.A O no hydrogen 2.996 N/A LYS 520.A N TYR 516.A O no hydrogen 3.051 N/A ASN 521.A N ASP 517.A O no hydrogen 2.877 N/A ASN 521.A N MET 518.A O no hydrogen 3.156 N/A ASN 521.A ND2 ASP 517.A O no hydrogen 3.353 N/A ASN 521.A ND2 ASP 517.A OD2 no hydrogen 2.998 N/A VAL 524.A N ASN 521.A O no hydrogen 3.055 N/A SER 525.A OG ASP 528.A OD2 no hydrogen 2.902 N/A ASP 528.A N SER 525.A OG no hydrogen 3.073 N/A ILE 529.A N SER 525.A O no hydrogen 2.792 N/A LEU 530.A N LEU 526.A O no hydrogen 3.069 N/A SER 531.A N GLY 527.A O no hydrogen 2.959 N/A SER 531.A OG GLY 337.A O no hydrogen 3.268 N/A SER 531.A OG THR 339.A O no hydrogen 3.515 N/A SER 531.A OG GLY 527.A O no hydrogen 2.688 N/A ARG 532.A N ASP 528.A O no hydrogen 2.753 N/A ARG 532.A NH1 THR 343.A OG1 no hydrogen 3.357 N/A ARG 532.A NH1 LYS 345.A O no hydrogen 2.718 N/A ARG 532.A NH2 ASP 517.A OD1 no hydrogen 3.099 N/A GLN 533.A N ILE 529.A O no hydrogen 2.956 N/A GLN 533.A NE2 ASP 517.A OD1 no hydrogen 3.073 N/A TYR 534.A N LEU 530.A O no hydrogen 3.136 N/A LEU 535.A N SER 531.A O no hydrogen 2.782 N/A LEU 536.A N ARG 532.A O no hydrogen 2.726 N/A GLY 537.A N GLN 533.A O no hydrogen 3.429 N/A GLY 538.A N GLN 533.A O no hydrogen 2.950 N/A ASN 539.A N THR 510.A OG1 no hydrogen 3.373 N/A TYR 540.A OH LYS 336.A O no hydrogen 2.525 N/A TYR 543.A N TYR 540.A O no hydrogen 2.846 N/A LYS 549.A N GLN 552.A OE1 no hydrogen 2.841 N/A LYS 549.A NZ LYS 547.A O no hydrogen 3.110 N/A GLN 552.A N LYS 549.A O no hydrogen 3.146 N/A TRP 553.A N ASP 551.A O no hydrogen 3.123 N/A ALA 555.A N GLN 552.A O no hydrogen 3.204 N/A TYR 557.A N LYS 554.A O no hydrogen 2.812 N/A TYR 558.A N LYS 554.A O no hydrogen 2.894 N/A HIS 559.A N ALA 555.A O no hydrogen 3.094 N/A HIS 559.A ND1 GLU 544.A OE2 no hydrogen 2.973 N/A HIS 559.A NE2 GLU 120.A OE1 no hydrogen 3.098 N/A HIS 559.A NE2 GLU 120.A OE2 no hydrogen 2.931 N/A GLN 560.A N ASP 556.A O no hydrogen 2.953 N/A LYS 561.A N.a TYR 557.A O no hydrogen 3.039 N/A LYS 561.A N.a TYR 558.A O no hydrogen 3.164 N/A LYS 561.A N.b TYR 557.A O no hydrogen 3.052 N/A LYS 561.A N.b TYR 558.A O no hydrogen 3.174 N/A LYS 561.A NZ.a HIS 474.A O no hydrogen 3.604 N/A LYS 561.A O.a GLN 560.A O no hydrogen 3.420 N/A LYS 561.A O.b GLN 560.A O no hydrogen 3.446 N/A ALA 562.A N TYR 558.A O no hydrogen 2.938 N/A HIS 563.A N HIS 559.A O no hydrogen 3.108 N/A MET 564.A N GLN 560.A O no hydrogen 2.970 N/A ILE 565.A N LYS 561.A O.a no hydrogen 2.805 N/A ILE 565.A N LYS 561.A O.b no hydrogen 2.803 N/A LYS 567.A N HIS 563.A O no hydrogen 3.254 N/A PHE 568.A N MET 564.A O no hydrogen 2.894 N/A TYR 569.A N ILE 565.A O no hydrogen 3.161 N/A TYR 569.A OH VAL 524.A O no hydrogen 3.008 N/A GLN 570.A N GLU 566.A O no hydrogen 3.240 N/A TYR 571.A N LYS 567.A O no hydrogen 3.148 N/A TYR 571.A N PHE 568.A O no hydrogen 2.866 N/A TYR 571.A OH THR 582.A O no hydrogen 2.778 N/A VAL 572.A N PHE 568.A O no hydrogen 2.955 N/A GLN 573.A N TYR 569.A O no hydrogen 3.071 N/A GLN 573.A NE2 PRO 522.A O no hydrogen 3.196 N/A GLU 574.A N GLN 570.A O no hydrogen 3.362 N/A ASN 575.A N VAL 572.A O no hydrogen 3.404 N/A ASN 575.A ND2 TYR 571.A O no hydrogen 3.163 N/A HIS 576.A N VAL 572.A O no hydrogen 3.023 N/A GLY 579.A N HIS 576.A O no hydrogen 2.659 N/A PHE 580.A N ASN 575.A O no hydrogen 2.760 N/A SER 583.A N GLN 586.A OE1 no hydrogen 2.570 N/A TRP 584.A N ASP 483.A OD1 no hydrogen 2.996 N/A SER 585.A N ASP 483.A OD2 no hydrogen 2.952 N/A SER 585.A OG ASP 483.A OD2 no hydrogen 2.729 N/A GLN 586.A N SER 583.A OG no hydrogen 3.014 N/A TRP 587.A N SER 583.A O no hydrogen 2.881 N/A LEU 588.A N TRP 584.A O no hydrogen 3.037 N/A ALA 589.A N GLN 586.A O no hydrogen 2.958 N/A