Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u44_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N GLN 6.A OE1 no hydrogen 3.033 N/A GLN 6.A N THR 3.A OG1 no hydrogen 2.890 N/A GLN 6.A NE2 SER 25.A O no hydrogen 3.254 N/A TRP 7.A N THR 3.A O no hydrogen 2.877 N/A ASN 8.A N ASP 4.A O no hydrogen 2.850 N/A ALA 9.A N ASP 5.A O no hydrogen 3.078 N/A ILE 10.A N GLN 6.A O no hydrogen 2.878 N/A VAL 11.A N TRP 7.A O no hydrogen 3.020 N/A VAL 11.A N ASN 8.A O no hydrogen 3.231 N/A SER 12.A N ASN 8.A O no hydrogen 2.949 N/A SER 12.A OG ASN 8.A O no hydrogen 2.614 N/A THR 13.A OG1 VAL 11.A O no hydrogen 3.419 N/A THR 13.A OG1 SER 12.A O no hydrogen 2.474 N/A ILE 17.A N LEU 399.A O no hydrogen 2.976 N/A LEU 18.A N ARG 436.A O no hydrogen 2.926 N/A VAL 19.A N MET 401.A O no hydrogen 2.736 N/A ALA 20.A N ILE 438.A O no hydrogen 2.915 N/A ALA 21.A N GLY 403.A O no hydrogen 2.820 N/A ALA 22.A N LEU 440.A O no hydrogen 3.323 N/A SER 25.A OG ALA 22.A O no hydrogen 2.557 N/A SER 25.A OG LEU 440.A O no hydrogen 3.074 N/A LYS 27.A NZ ASP 373.A OD1 no hydrogen 3.282 N/A LYS 27.A NZ ASP 373.A OD2 no hydrogen 3.388 N/A VAL 30.A N GLY 26.A O no hydrogen 3.226 N/A LEU 31.A N LYS 27.A O no hydrogen 2.719 N/A VAL 32.A N THR 28.A O no hydrogen 2.833 N/A GLU 33.A N ALA 29.A O no hydrogen 2.974 N/A ARG 34.A N VAL 30.A O no hydrogen 3.093 N/A ARG 34.A NE GLU 369.A OE1 no hydrogen 2.609 N/A ARG 34.A NH1 SER 12.A O no hydrogen 3.206 N/A ARG 34.A NH1 GLU 369.A OE1 no hydrogen 2.874 N/A ARG 34.A NH1 GLU 369.A OE2 no hydrogen 2.888 N/A ARG 34.A NH2 ALA 9.A O no hydrogen 2.818 N/A ARG 34.A NH2 SER 12.A O no hydrogen 2.983 N/A MET 35.A N LEU 31.A O no hydrogen 3.461 N/A ILE 36.A N VAL 32.A O no hydrogen 2.818 N/A ARG 37.A N GLU 33.A O no hydrogen 3.019 N/A ARG 37.A NE GLU 33.A OE1 no hydrogen 3.108 N/A ARG 37.A NH2 GLU 33.A OE1 no hydrogen 3.536 N/A LYS 38.A NZ THR 13.A OG1 no hydrogen 3.104 N/A ILE 39.A N MET 35.A O no hydrogen 3.075 N/A THR 40.A N ILE 36.A O no hydrogen 2.591 N/A THR 40.A OG1 ILE 36.A O no hydrogen 2.804 N/A THR 40.A OG1 THR 40.A O no hydrogen 2.396 N/A ILE 46.A N LYS 38.A O no hydrogen 2.857 N/A VAL 48.A N GLN 88.A OE1 no hydrogen 2.892 N/A ARG 50.A N ASP 47.A O no hydrogen 3.261 N/A ARG 50.A NH1 GLU 365.A O no hydrogen 3.186 N/A ARG 50.A NH1 GLN 366.A O no hydrogen 2.666 N/A LEU 51.A N VAL 48.A O no hydrogen 2.822 N/A LEU 52.A N GLU 369.A O no hydrogen 3.106 N/A VAL 53.A N SER 96.A O no hydrogen 2.948 N/A VAL 54.A N LEU 371.A O no hydrogen 2.835 N/A THR 55.A N SER 98.A O no hydrogen 2.807 N/A THR 55.A OG1 THR 57.A O no hydrogen 2.889 N/A THR 55.A OG1 SER 60.A OG no hydrogen 3.368 N/A THR 57.A OG1 SER 60.A OG no hydrogen 2.755 N/A SER 60.A N THR 57.A OG1 no hydrogen 3.202 N/A SER 60.A OG THR 57.A O no hydrogen 2.779 N/A SER 60.A OG THR 57.A OG1 no hydrogen 2.755 N/A ALA 61.A N THR 57.A O no hydrogen 3.118 N/A ALA 62.A N ASN 58.A O no hydrogen 2.864 N/A GLU 63.A N ALA 59.A O no hydrogen 2.724 N/A MET 64.A N SER 60.A O no hydrogen 2.812 N/A LYS 65.A N ALA 61.A O no hydrogen 2.978 N/A HIS 66.A N ALA 62.A O no hydrogen 3.143 N/A HIS 66.A ND1 ALA 62.A O no hydrogen 2.989 N/A ARG 67.A N GLU 63.A O no hydrogen 3.245 N/A ILE 68.A N MET 64.A O no hydrogen 3.011 N/A ALA 69.A N LYS 65.A O no hydrogen 2.863 N/A GLU 70.A N HIS 66.A O no hydrogen 3.023 N/A ALA 71.A N ARG 67.A O no hydrogen 3.523 N/A LEU 72.A N ILE 68.A O no hydrogen 3.289 N/A GLU 73.A N ALA 69.A O no hydrogen 3.042 N/A LYS 74.A N GLU 70.A O no hydrogen 2.921 N/A GLU 75.A N ALA 71.A O no hydrogen 2.738 N/A LEU 76.A N LEU 72.A O no hydrogen 2.789 N/A VAL 77.A N GLU 73.A O no hydrogen 2.852 N/A ARG 79.A N GLU 75.A O no hydrogen 3.336 N/A ARG 79.A NH2 GLU 42.A OE2 no hydrogen 3.230 N/A SER 82.A N ARG 79.A O no hydrogen 2.991 N/A ILE 85.A N SER 82.A OG no hydrogen 3.162 N/A ARG 86.A N SER 82.A O no hydrogen 3.445 N/A ARG 87.A N LEU 83.A O no hydrogen 3.173 N/A GLN 88.A N HIS 84.A O no hydrogen 3.035 N/A GLN 88.A NE2 ASP 47.A OD1 no hydrogen 2.923 N/A GLN 88.A NE2 HIS 84.A O no hydrogen 3.414 N/A LEU 89.A N ILE 85.A O no hydrogen 3.357 N/A SER 90.A N ARG 87.A O no hydrogen 2.719 N/A LEU 91.A N GLN 88.A O no hydrogen 2.717 N/A ARG 94.A N LEU 91.A O no hydrogen 2.915 N/A SER 96.A OG LEU 51.A O no hydrogen 2.613 N/A SER 98.A N VAL 53.A O no hydrogen 2.946 N/A SER 98.A OG THR 99.A O no hydrogen 3.425 N/A HIS 101.A NE2 GLU 341.A OE2 no hydrogen 2.851 N/A SER 102.A N THR 99.A OG1 no hydrogen 3.196 N/A PHE 103.A N THR 99.A O no hydrogen 3.052 N/A CYS 104.A N LEU 100.A O no hydrogen 2.819 N/A CYS 104.A SG LEU 100.A O no hydrogen 3.247 N/A LEU 105.A N HIS 101.A O no hydrogen 2.931 N/A GLN 106.A N SER 102.A O no hydrogen 3.431 N/A VAL 107.A N PHE 103.A O no hydrogen 3.014 N/A LEU 108.A N CYS 104.A O no hydrogen 2.855 N/A LYS 109.A N LEU 105.A O no hydrogen 2.927 N/A LYS 110.A N GLN 106.A O no hydrogen 3.240 N/A LYS 110.A N VAL 107.A O no hydrogen 3.017 N/A TYR 111.A N VAL 107.A O no hydrogen 2.879 N/A LEU 114.A N TYR 111.A O no hydrogen 2.921 N/A ARG 122.A N SER 333.A O no hydrogen 3.118 N/A ARG 122.A NH1 GLU 128.A OE1 no hydrogen 3.440 N/A ARG 122.A NH1 GLU 128.A OE2 no hydrogen 2.977 N/A ARG 122.A NH2 GLU 128.A OE1 no hydrogen 2.909 N/A ALA 124.A N ILE 335.A O no hydrogen 3.093 N/A THR 127.A OG1 ASP 125.A OD2 no hydrogen 3.515 N/A GLU 128.A N ASP 125.A OD1 no hydrogen 3.443 N/A GLY 129.A N ASP 125.A O no hydrogen 3.206 N/A LEU 131.A N THR 127.A O no hydrogen 2.937 N/A ILE 132.A N GLU 128.A O no hydrogen 2.909 N/A ILE 132.A N GLY 129.A O no hydrogen 3.149 N/A GLY 133.A N GLY 129.A O no hydrogen 3.052 N/A ASP 134.A N GLU 130.A O no hydrogen 2.890 N/A GLU 135.A N LEU 131.A O no hydrogen 3.368 N/A VAL 136.A N ILE 132.A O no hydrogen 3.017 N/A LEU 137.A N GLY 133.A O no hydrogen 2.901 N/A ASP 138.A N ASP 134.A O no hydrogen 3.043 N/A GLU 139.A N GLU 135.A O no hydrogen 3.038 N/A LEU 140.A N VAL 136.A O no hydrogen 2.857 N/A PHE 141.A N LEU 137.A O no hydrogen 2.760 N/A GLU 142.A N ASP 138.A O no hydrogen 3.010 N/A ASP 143.A N GLU 139.A O no hydrogen 2.984 N/A GLU 144.A N LEU 140.A O no hydrogen 3.021 N/A TYR 145.A N PHE 141.A O no hydrogen 2.967 N/A TYR 145.A OH ASP 165.A OD2 no hydrogen 2.863 N/A ALA 146.A N GLU 142.A O no hydrogen 3.052 N/A LYS 147.A N ASP 143.A O no hydrogen 2.854 N/A LYS 147.A NZ GLU 149.A OE1 no hydrogen 2.865 N/A GLY 148.A N GLU 144.A O no hydrogen 2.976 N/A GLU 154.A N LYS 150.A O no hydrogen 3.304 N/A LEU 155.A N ALA 151.A O no hydrogen 3.171 N/A VAL 156.A N PHE 152.A O no hydrogen 2.980 N/A ASP 157.A N PHE 153.A O no hydrogen 2.781 N/A ARG 158.A NE GLU 154.A O no hydrogen 3.059 N/A ARG 158.A NH1 ILE 775.A O no hydrogen 2.700 N/A TYR 159.A N LEU 155.A O no hydrogen 3.072 N/A TYR 159.A OH THR 772.A OG1 no hydrogen 2.592 N/A THR 160.A N VAL 156.A O no hydrogen 2.933 N/A THR 160.A OG1 HIS 164.A O no hydrogen 2.686 N/A HIS 164.A N THR 161.A O no hydrogen 3.061 N/A HIS 164.A NE2 ASP 167.A OD2 no hydrogen 2.861 N/A LEU 168.A N ASP 165.A O no hydrogen 3.235 N/A GLN 169.A N LEU 166.A O no hydrogen 3.419 N/A GLN 169.A NE2 ASP 138.A OD1 no hydrogen 3.500 N/A VAL 172.A N LEU 168.A O no hydrogen 3.242 N/A LYS 173.A N GLN 169.A O no hydrogen 3.284 N/A LYS 173.A NZ GLU 130.A O no hydrogen 3.366 N/A LYS 173.A NZ ASP 134.A OD1 no hydrogen 2.634 N/A GLN 174.A N PHE 170.A O no hydrogen 2.644 N/A VAL 175.A N LEU 171.A O no hydrogen 2.832 N/A TYR 176.A N VAL 172.A O no hydrogen 2.893 N/A GLU 177.A N LYS 173.A O no hydrogen 2.643 N/A TYR 178.A N GLN 174.A O no hydrogen 3.144 N/A SER 179.A N VAL 175.A O no hydrogen 3.024 N/A SER 179.A OG TYR 176.A O no hydrogen 2.466 N/A ARG 180.A N TYR 176.A O no hydrogen 3.286 N/A ARG 180.A NE SER 338.A OG no hydrogen 3.069 N/A SER 181.A N TYR 178.A O no hydrogen 2.931 N/A SER 181.A OG TYR 178.A O no hydrogen 2.588 N/A HIS 182.A N SER 179.A O no hydrogen 2.874 N/A ASN 184.A N HIS 182.A ND1 no hydrogen 2.812 N/A ALA 187.A N ASN 184.A OD1 no hydrogen 3.314 N/A TRP 188.A N ASN 184.A O no hydrogen 3.184 N/A TRP 188.A NE1 LYS 766.A O no hydrogen 3.011 N/A LEU 189.A N PRO 185.A O no hydrogen 2.867 N/A LEU 189.A N GLU 186.A O no hydrogen 2.812 N/A GLU 190.A N GLU 186.A O no hydrogen 2.951 N/A PHE 192.A N LEU 189.A O no hydrogen 3.042 N/A LEU 195.A N PHE 192.A O no hydrogen 3.298 N/A TYR 196.A N VAL 193.A O no hydrogen 2.812 N/A TYR 196.A OH PHE 770.A O no hydrogen 3.222 N/A SER 199.A N SER 202.A OG no hydrogen 3.041 N/A SER 199.A OG SER 202.A OG no hydrogen 3.211 N/A LYS 201.A N SER 199.A OG no hydrogen 3.181 N/A SER 202.A N SER 199.A O no hydrogen 2.960 N/A SER 202.A OG SER 199.A O no hydrogen 3.070 N/A SER 202.A OG SER 199.A OG no hydrogen 3.211 N/A GLU 205.A N GLU 205.A OE1 no hydrogen 2.827 N/A GLU 206.A N ALA 203.A O no hydrogen 3.344 N/A TYR 210.A N LEU 207.A O no hydrogen 3.409 N/A GLN 211.A N PRO 208.A O no hydrogen 3.196 N/A TYR 212.A N PHE 209.A O no hydrogen 3.215 N/A TYR 212.A OH GLU 767.A OE1 no hydrogen 3.102 N/A LYS 214.A N TYR 210.A O no hydrogen 2.706 N/A GLU 215.A N GLN 211.A O no hydrogen 3.140 N/A ASP 216.A N TYR 212.A O no hydrogen 3.051 N/A ILE 217.A N VAL 213.A O no hydrogen 3.059 N/A ALA 218.A N LYS 214.A O no hydrogen 3.067 N/A MET 219.A N GLU 215.A O no hydrogen 3.153 N/A VAL 220.A N ASP 216.A O no hydrogen 3.113 N/A LEU 221.A N ILE 217.A O no hydrogen 2.891 N/A ASN 222.A N ALA 218.A O no hydrogen 2.936 N/A GLY 223.A N MET 219.A O no hydrogen 2.471 N/A ALA 224.A N VAL 220.A O no hydrogen 2.750 N/A LYS 225.A N LEU 221.A O no hydrogen 2.994 N/A GLU 226.A N ASN 222.A O no hydrogen 2.756 N/A LYS 227.A N GLY 223.A O no hydrogen 2.990 N/A LEU 228.A N ALA 224.A O no hydrogen 2.808 N/A LEU 229.A N LYS 225.A O no hydrogen 2.805 N/A ARG 230.A NH2 GLU 233.A OE1 no hydrogen 2.711 N/A LEU 232.A N LEU 228.A O no hydrogen 3.172 N/A GLU 233.A N LEU 229.A O no hydrogen 3.000 N/A LEU 234.A N ARG 230.A O no hydrogen 2.807 N/A THR 235.A N LEU 232.A O no hydrogen 3.252 N/A THR 235.A OG1 GLU 233.A O no hydrogen 3.456 N/A LEU 239.A N ASP 236.A O no hydrogen 2.754 N/A ASP 241.A N ASN 237.A O no hydrogen 3.036 N/A LEU 242.A N PHE 238.A O no hydrogen 2.859 N/A ALA 243.A N LEU 239.A O no hydrogen 2.650 N/A GLN 244.A N ASP 240.A O no hydrogen 2.944 N/A ILE 245.A N ASP 241.A O no hydrogen 2.868 N/A ASP 246.A N LEU 242.A O no hydrogen 2.806 N/A GLU 247.A N ALA 243.A O no hydrogen 3.044 N/A LEU 248.A N GLN 244.A O no hydrogen 3.198 N/A LEU 248.A N ILE 245.A O no hydrogen 2.661 N/A ILE 249.A N ILE 245.A O no hydrogen 2.864 N/A GLN 250.A N ASP 246.A O no hydrogen 2.992 N/A HIS 251.A N LEU 248.A O no hydrogen 2.901 N/A HIS 251.A ND1 GLU 247.A O no hydrogen 2.672 N/A GLN 252.A N ILE 249.A O no hydrogen 3.381 N/A PHE 255.A N GLU 205.A OE2 no hydrogen 2.973 N/A GLU 257.A N ASP 254.A OD1 no hydrogen 2.699 N/A LEU 258.A N ASP 254.A O no hydrogen 3.291 N/A TYR 259.A N PHE 255.A O no hydrogen 3.140 N/A LYS 260.A N GLU 257.A O no hydrogen 2.710 N/A ARG 261.A N GLU 257.A O no hydrogen 3.050 N/A VAL 262.A N LEU 258.A O no hydrogen 2.779 N/A SER 266.A OG ALA 264.A O no hydrogen 3.127 N/A LEU 271.A N ASP 267.A O no hydrogen 2.805 N/A ASP 272.A N PRO 268.A O no hydrogen 3.299 N/A THR 275.A OG1 ASP 272.A O no hydrogen 2.834 N/A ARG 278.A NE ASP 241.A OD2 no hydrogen 3.548 N/A ASN 279.A N THR 275.A O no hydrogen 3.094 N/A GLY 280.A N ASP 276.A O no hydrogen 2.709 N/A ALA 281.A N LEU 277.A O no hydrogen 3.315 N/A LYS 282.A N ARG 278.A O no hydrogen 3.302 N/A LYS 283.A N ASN 279.A O no hydrogen 2.669 N/A LEU 284.A N GLY 280.A O no hydrogen 2.808 N/A LEU 285.A N ALA 281.A O no hydrogen 2.785 N/A GLU 286.A N LYS 282.A O no hydrogen 2.664 N/A LYS 287.A N LYS 283.A O no hydrogen 3.103 N/A LEU 288.A N LEU 284.A O no hydrogen 3.038 N/A LYS 289.A N LEU 285.A O no hydrogen 2.746 N/A THR 290.A N GLU 286.A O no hydrogen 2.879 N/A THR 290.A OG1 GLU 286.A O no hydrogen 3.339 N/A THR 290.A OG1 LYS 287.A O no hydrogen 2.820 N/A ASP 291.A N LYS 287.A O no hydrogen 2.857 N/A TYR 292.A N LEU 288.A O no hydrogen 3.441 N/A TYR 292.A OH ASP 216.A OD2 no hydrogen 2.515 N/A PHE 293.A N LYS 289.A O no hydrogen 2.744 N/A THR 294.A OG1 THR 290.A O no hydrogen 3.165 N/A GLN 299.A N SER 296.A OG no hydrogen 3.006 N/A HIS 300.A N SER 296.A O no hydrogen 2.921 N/A HIS 300.A NE2 TYR 292.A O no hydrogen 2.954 N/A LEU 301.A N PRO 297.A O no hydrogen 3.258 N/A LYS 302.A N GLU 298.A O no hydrogen 3.015 N/A SER 303.A N GLN 299.A O no hydrogen 2.793 N/A SER 303.A OG GLN 299.A O no hydrogen 2.691 N/A SER 303.A OG TYR 783.A OH no hydrogen 2.670 N/A LEU 304.A N HIS 300.A O no hydrogen 3.103 N/A ALA 305.A N LEU 301.A O no hydrogen 2.986 N/A GLU 306.A N LYS 302.A O no hydrogen 3.080 N/A MET 307.A N LEU 304.A O no hydrogen 2.842 N/A LYS 308.A NZ ASP 197.A OD1 no hydrogen 3.464 N/A ILE 311.A N MET 307.A O no hydrogen 2.893 N/A GLU 312.A N LYS 308.A O no hydrogen 2.979 N/A THR 313.A N PRO 309.A O no hydrogen 3.213 N/A THR 313.A OG1 PRO 309.A O no hydrogen 3.041 N/A LEU 314.A N VAL 310.A O no hydrogen 2.843 N/A VAL 315.A N ILE 311.A O no hydrogen 2.936 N/A GLN 316.A N GLU 312.A O no hydrogen 3.018 N/A LEU 317.A N THR 313.A O no hydrogen 3.047 N/A VAL 318.A N LEU 314.A O no hydrogen 3.097 N/A ILE 319.A N VAL 315.A O no hydrogen 2.905 N/A SER 320.A N GLN 316.A O no hydrogen 3.079 N/A SER 320.A OG GLN 316.A O no hydrogen 3.123 N/A TYR 321.A N LEU 317.A O no hydrogen 2.863 N/A GLY 322.A N VAL 318.A O no hydrogen 2.849 N/A LYS 323.A N ILE 319.A O no hydrogen 3.124 N/A ARG 324.A N SER 320.A O no hydrogen 3.167 N/A ARG 324.A NH1 ASP 143.A OD2 no hydrogen 3.410 N/A ARG 324.A NH2 ASP 143.A OD2 no hydrogen 2.747 N/A PHE 325.A N TYR 321.A O no hydrogen 2.797 N/A GLU 326.A N GLY 322.A O no hydrogen 3.016 N/A ALA 327.A N LYS 323.A O no hydrogen 2.948 N/A ALA 328.A N ARG 324.A O no hydrogen 2.905 N/A LYS 329.A N PHE 325.A O no hydrogen 3.077 N/A LYS 329.A NZ ASP 339.A OD1 no hydrogen 2.919 N/A LYS 329.A NZ ASP 339.A OD2 no hydrogen 3.001 N/A GLN 330.A N GLU 326.A O no hydrogen 2.977 N/A GLU 331.A N ALA 327.A O no hydrogen 3.169 N/A SER 333.A N GLN 330.A O no hydrogen 2.843 N/A SER 333.A OG ASP 118.A OD2 no hydrogen 3.119 N/A ILE 334.A N LYS 329.A O no hydrogen 2.981 N/A ILE 335.A N ARG 122.A O no hydrogen 2.977 N/A SER 338.A N ASP 336.A OD2 no hydrogen 3.220 N/A LEU 340.A N ASP 336.A O no hydrogen 3.255 N/A HIS 342.A N SER 338.A O no hydrogen 2.948 N/A HIS 342.A NE2 ARG 180.A O no hydrogen 2.744 N/A TYR 343.A N ASP 339.A O no hydrogen 2.660 N/A TYR 343.A OH GLU 326.A OE2 no hydrogen 3.216 N/A CYS 344.A N LEU 340.A O no hydrogen 3.354 N/A LEU 345.A N GLU 341.A O no hydrogen 2.948 N/A ALA 346.A N HIS 342.A O no hydrogen 2.839 N/A ILE 347.A N TYR 343.A O no hydrogen 2.841 N/A LEU 348.A N CYS 344.A O no hydrogen 2.838 N/A THR 349.A N LEU 345.A O no hydrogen 2.921 N/A THR 349.A OG1 LEU 345.A O no hydrogen 2.880 N/A ALA 350.A N GLU 355.A O no hydrogen 3.053 N/A ARG 354.A NE GLU 351.A OE1 no hydrogen 2.681 N/A ARG 354.A NH1 GLU 351.A OE1 no hydrogen 3.162 N/A SER 357.A N LEU 348.A O no hydrogen 2.904 N/A SER 357.A OG ILE 347.A O no hydrogen 2.586 N/A ARG 361.A N SER 357.A O no hydrogen 2.944 N/A ARG 361.A NE PRO 356.A O no hydrogen 3.377 N/A PHE 362.A N GLU 358.A O no hydrogen 3.398 N/A TYR 363.A N ALA 359.A O no hydrogen 3.401 N/A GLN 364.A N ALA 360.A O no hydrogen 2.985 N/A GLN 364.A NE2 LEU 388.A O no hydrogen 2.842 N/A GLU 365.A N ARG 361.A O no hydrogen 2.975 N/A GLN 366.A N PHE 362.A O no hydrogen 2.853 N/A PHE 367.A N TYR 363.A O no hydrogen 2.939 N/A HIS 368.A N ARG 50.A O no hydrogen 2.747 N/A VAL 370.A N ASN 398.A O no hydrogen 2.981 N/A LEU 371.A N LEU 52.A O no hydrogen 2.734 N/A VAL 372.A N PHE 400.A O no hydrogen 2.861 N/A ASP 373.A N VAL 54.A O no hydrogen 3.216 N/A GLU 374.A N ASP 373.A OD1 no hydrogen 2.661 N/A TYR 375.A N VAL 402.A O no hydrogen 3.056 N/A TYR 375.A OH GLU 383.A OE1 no hydrogen 2.596 N/A TYR 375.A OH GLU 383.A OE2 no hydrogen 3.218 N/A GLN 376.A N GLN 376.A OE1 no hydrogen 2.689 N/A GLN 376.A NE2 GLU 374.A OE1 no hydrogen 2.757 N/A GLN 376.A NE2 ASP 377.A OD2 no hydrogen 3.393 N/A ASP 377.A N GLU 374.A O no hydrogen 3.398 N/A THR 378.A N TYR 375.A O no hydrogen 3.050 N/A THR 378.A OG1 TYR 375.A O no hydrogen 2.732 N/A ASN 379.A N GLN 382.A OE1 no hydrogen 3.017 N/A GLN 382.A N ASN 379.A OD1 no hydrogen 2.591 N/A GLN 382.A NE2 GLU 341.A OE2 no hydrogen 3.477 N/A GLU 383.A N ASN 379.A O no hydrogen 3.119 N/A SER 384.A N LEU 380.A O no hydrogen 3.015 N/A SER 384.A OG LEU 380.A O no hydrogen 3.301 N/A SER 384.A OG VAL 381.A O no hydrogen 2.671 N/A ILE 385.A N VAL 381.A O no hydrogen 3.035 N/A LEU 386.A N GLN 382.A O no hydrogen 2.710 N/A GLN 387.A N GLU 383.A O no hydrogen 2.739 N/A LEU 388.A N ILE 385.A O no hydrogen 3.165 N/A VAL 389.A N ILE 385.A O no hydrogen 3.062 N/A VAL 389.A N LEU 386.A O no hydrogen 3.136 N/A THR 390.A N LEU 386.A O no hydrogen 2.937 N/A THR 390.A OG1 LEU 386.A O no hydrogen 2.898 N/A SER 391.A N ASN 398.A OD1 no hydrogen 3.063 N/A SER 391.A OG GLN 364.A O no hydrogen 3.483 N/A THR 396.A OG1 PRO 393.A O no hydrogen 3.300 N/A ASN 398.A ND2 HIS 368.A O no hydrogen 3.137 N/A LEU 399.A N ASP 16.A OD1 no hydrogen 2.925 N/A PHE 400.A N VAL 370.A O no hydrogen 2.878 N/A MET 401.A N ILE 17.A O no hydrogen 2.905 N/A VAL 402.A N VAL 372.A O no hydrogen 2.904 N/A GLY 403.A N VAL 19.A O no hydrogen 2.983 N/A ASP 404.A N GLN 376.A OE1 no hydrogen 3.033 N/A LYS 406.A N ASP 404.A OD1 no hydrogen 3.144 N/A LYS 406.A NZ ASP 404.A OD1 no hydrogen 3.034 N/A GLN 407.A N ASP 404.A O no hydrogen 2.785 N/A GLN 407.A NE2 ASP 404.A OD2 no hydrogen 2.739 N/A SER 408.A N VAL 405.A O no hydrogen 2.923 N/A SER 408.A OG GLN 376.A O no hydrogen 3.426 N/A SER 408.A OG ASP 377.A OD1 no hydrogen 3.267 N/A ARG 411.A NH1 GLU 468.A OE2 no hydrogen 3.248 N/A ARG 411.A NH2 GLU 468.A OE1 no hydrogen 2.720 N/A ARG 411.A NH2 GLU 468.A OE2 no hydrogen 2.695 N/A LEU 414.A N ARG 411.A O no hydrogen 2.787 N/A GLU 416.A N THR 378.A O no hydrogen 2.771 N/A LEU 418.A N GLU 416.A OE2 no hydrogen 3.034 N/A LEU 419.A N GLU 416.A O no hydrogen 3.298 N/A LEU 421.A N PRO 417.A O no hydrogen 2.802 N/A SER 422.A N LEU 418.A O no hydrogen 2.658 N/A SER 422.A OG LEU 418.A O no hydrogen 3.014 N/A SER 422.A OG LEU 419.A O no hydrogen 2.855 N/A LYS 423.A NZ TYR 375.A OH no hydrogen 2.819 N/A LYS 423.A NZ GLU 383.A OE2 no hydrogen 2.933 N/A TYR 424.A N PHE 420.A O no hydrogen 3.060 N/A TYR 424.A OH ASP 439.A OD2 no hydrogen 2.721 N/A LYS 425.A N LEU 421.A O no hydrogen 3.171 N/A ARG 426.A N LYS 423.A O no hydrogen 3.150 N/A ARG 426.A NH1 GLU 394.A OE2 no hydrogen 3.038 N/A THR 428.A N GLY 435.A O no hydrogen 3.266 N/A THR 428.A OG1 SER 430.A O no hydrogen 2.682 N/A GLU 432.A N SER 430.A OG no hydrogen 3.340 N/A THR 434.A OG1 ARG 426.A O no hydrogen 3.469 N/A ARG 436.A N ASP 16.A O no hydrogen 2.894 N/A LYS 437.A N THR 428.A O no hydrogen 3.059 N/A LYS 437.A NZ TYR 424.A O no hydrogen 2.916 N/A LYS 437.A NZ PHE 427.A O no hydrogen 3.215 N/A ILE 438.A N LEU 18.A O no hydrogen 2.991 N/A LEU 440.A N ALA 20.A O no hydrogen 2.983 N/A ASN 443.A N LYS 478.A O no hydrogen 2.709 N/A ASN 443.A ND2 ALA 23.A O no hydrogen 2.685 N/A PHE 444.A N GLY 24.A O no hydrogen 3.276 N/A SER 446.A OG ALA 814.A O no hydrogen 2.809 N/A SER 446.A OG LYS 815.A O no hydrogen 3.412 N/A ARG 447.A N LYS 815.A O no hydrogen 2.672 N/A ILE 450.A N ARG 447.A O no hydrogen 3.229 N/A LEU 451.A N ARG 447.A O no hydrogen 3.500 N/A ASP 452.A N ALA 448.A O no hydrogen 2.865 N/A SER 453.A N ASP 449.A O no hydrogen 3.102 N/A SER 453.A OG ASP 449.A O no hydrogen 2.757 N/A SER 453.A OG THR 491.A OG1 no hydrogen 2.945 N/A THR 454.A N ILE 450.A O no hydrogen 2.785 N/A THR 454.A OG1 ILE 450.A O no hydrogen 3.476 N/A ASN 455.A N LEU 451.A O no hydrogen 2.737 N/A ASN 455.A ND2 LEU 477.A O no hydrogen 2.898 N/A PHE 456.A N ASP 452.A O no hydrogen 2.856 N/A LEU 457.A N SER 453.A O no hydrogen 3.217 N/A PHE 458.A N THR 454.A O no hydrogen 3.201 N/A LYS 459.A NZ GLU 476.A OE2 no hydrogen 3.288 N/A GLN 460.A N LEU 457.A O no hydrogen 2.939 N/A GLN 460.A NE2 PHE 456.A O no hydrogen 3.160 N/A GLN 460.A NE2 ALA 863.A O no hydrogen 2.698 N/A MET 462.A N PHE 458.A O no hydrogen 2.894 N/A ILE 466.A N GLY 463.A O no hydrogen 3.295 N/A GLY 467.A N GLY 463.A O no hydrogen 3.013 N/A GLU 468.A N GLY 464.A O no hydrogen 2.902 N/A TYR 471.A OH ASN 455.A OD1 no hydrogen 2.760 N/A ALA 475.A N ASP 472.A O no hydrogen 3.211 N/A GLU 476.A N ASP 472.A O no hydrogen 2.794 N/A LEU 477.A N ASN 455.A OD1 no hydrogen 3.148 N/A LYS 478.A N ASN 441.A O no hydrogen 3.056 N/A GLY 480.A N ASN 443.A O no hydrogen 3.253 N/A THR 489.A OG1 ASP 449.A OD2 no hydrogen 2.704 N/A THR 491.A OG1 SER 453.A OG no hydrogen 2.945 N/A GLU 492.A N LEU 818.A O no hydrogen 3.072 N/A LEU 493.A N ALA 880.A O no hydrogen 2.889 N/A LEU 494.A N LEU 820.A O no hydrogen 2.903 N/A LEU 495.A N GLN 882.A O no hydrogen 2.923 N/A THR 500.A OG1 LEU 498.A O no hydrogen 3.085 N/A VAL 501.A N LEU 498.A O no hydrogen 3.014 N/A GLN 502.A N GLN 502.A OE1 no hydrogen 3.049 N/A PHE 503.A N GLU 499.A O no hydrogen 3.015 N/A GLU 504.A N THR 500.A O no hydrogen 3.089 N/A ALA 505.A N VAL 501.A O no hydrogen 2.625 N/A LYS 506.A N GLN 502.A O no hydrogen 3.096 N/A LYS 506.A NZ GLU 551.A OE1 no hydrogen 3.152 N/A ILE 508.A N GLU 504.A O no hydrogen 3.448 N/A ALA 509.A N ALA 505.A O no hydrogen 2.841 N/A LYS 510.A N LYS 506.A O no hydrogen 2.598 N/A GLU 511.A N ALA 507.A O no hydrogen 3.474 N/A GLU 511.A N GLU 511.A OE1 no hydrogen 2.886 N/A ILE 512.A N ILE 508.A O no hydrogen 3.373 N/A ARG 513.A N ALA 509.A O no hydrogen 3.297 N/A LYS 514.A N LYS 510.A O no hydrogen 2.932 N/A LEU 515.A N GLU 511.A O no hydrogen 2.832 N/A ILE 516.A N ILE 512.A O no hydrogen 2.911 N/A SER 517.A N ARG 513.A O no hydrogen 3.023 N/A SER 517.A OG ARG 513.A O no hydrogen 2.721 N/A SER 517.A OG LYS 514.A O no hydrogen 3.227 N/A SER 518.A N LYS 514.A O no hydrogen 2.805 N/A VAL 522.A N ARG 528.A O no hydrogen 2.553 N/A TYR 523.A N GLU 816.A OE2 no hydrogen 2.845 N/A LYS 525.A N TYR 523.A OH no hydrogen 3.173 N/A ARG 528.A N VAL 522.A O no hydrogen 2.502 N/A ARG 528.A NH2 HIS 527.A O no hydrogen 2.681 N/A VAL 536.A N VAL 743.A O no hydrogen 3.121 N/A ILE 537.A N ARG 729.A O no hydrogen 3.002 N/A LEU 538.A N PHE 745.A O no hydrogen 2.569 N/A LEU 539.A N MET 731.A O no hydrogen 3.048 N/A ARG 540.A NE GLU 803.A OE1 no hydrogen 2.532 N/A ARG 540.A NH1 ARG 540.A O no hydrogen 3.465 N/A ARG 540.A NH2 GLU 803.A OE1 no hydrogen 2.909 N/A ARG 540.A NH2 GLU 803.A OE2 no hydrogen 2.745 N/A ILE 548.A N TRP 544.A O no hydrogen 2.834 N/A MET 549.A N ALA 545.A O no hydrogen 3.032 N/A GLU 550.A N PRO 546.A O no hydrogen 3.245 N/A LEU 552.A N ILE 548.A O no hydrogen 3.176 N/A ARG 553.A N MET 549.A O no hydrogen 2.979 N/A ARG 553.A N GLU 550.A O no hydrogen 3.014 N/A ALA 554.A N GLU 551.A O no hydrogen 2.912 N/A TYR 560.A N VAL 728.A O no hydrogen 3.101 N/A SER 565.A N THR 564.A OG1 no hydrogen 2.701 N/A GLY 566.A N SER 565.A OG no hydrogen 2.654 N/A TYR 567.A OH ASN 689.A O no hydrogen 2.943 N/A ALA 570.A N TYR 567.A O no hydrogen 3.235 N/A ALA 574.A N ALA 570.A O no hydrogen 3.009 N/A VAL 575.A N VAL 571.A O no hydrogen 2.953 N/A ALA 576.A N GLU 572.A O no hydrogen 2.718 N/A LEU 577.A N VAL 573.A O no hydrogen 2.972 N/A SER 578.A N ALA 574.A O no hydrogen 2.868 N/A SER 578.A OG ALA 574.A O no hydrogen 2.594 N/A SER 578.A OG SER 594.A OG no hydrogen 3.051 N/A VAL 579.A N VAL 575.A O no hydrogen 3.012 N/A LEU 580.A N ALA 576.A O no hydrogen 3.157 N/A LYS 581.A N LEU 577.A O no hydrogen 2.730 N/A VAL 582.A N SER 578.A O no hydrogen 3.080 N/A ILE 583.A N VAL 579.A O no hydrogen 3.007 N/A ASP 584.A N LEU 580.A O no hydrogen 2.938 N/A ASN 585.A N LYS 581.A O no hydrogen 2.867 N/A TYR 587.A N ASN 585.A OD1 no hydrogen 3.099 N/A GLN 588.A N PRO 586.A O no hydrogen 3.019 N/A LEU 592.A N GLN 588.A O no hydrogen 2.975 N/A ALA 593.A N ASP 589.A O no hydrogen 3.080 N/A SER 594.A N ILE 590.A O no hydrogen 2.905 N/A SER 594.A OG SER 578.A OG no hydrogen 3.051 N/A SER 594.A OG ILE 590.A O no hydrogen 3.131 N/A SER 594.A OG PRO 591.A O no hydrogen 2.539 N/A VAL 595.A N LEU 592.A O no hydrogen 2.925 N/A LEU 596.A N LEU 592.A O no hydrogen 3.056 N/A ARG 597.A N ALA 593.A O no hydrogen 2.954 N/A ARG 597.A NE GLU 605.A OE1 no hydrogen 3.132 N/A ARG 597.A NH2 GLU 605.A OE1 no hydrogen 3.082 N/A SER 598.A N VAL 595.A O no hydrogen 2.851 N/A SER 598.A OG VAL 595.A O no hydrogen 2.536 N/A VAL 601.A N SER 598.A O no hydrogen 3.036 N/A ALA 603.A N LEU 596.A O no hydrogen 2.795 N/A GLU 605.A N GLU 605.A OE2 no hydrogen 2.701 N/A LEU 608.A N ASP 604.A O no hydrogen 2.747 N/A SER 609.A N GLU 605.A O no hydrogen 3.033 N/A SER 609.A OG GLU 605.A O no hydrogen 2.796 N/A SER 609.A OG ASN 606.A O no hydrogen 3.123 N/A LEU 610.A N ASN 606.A O no hydrogen 2.897 N/A ILE 611.A N GLU 607.A O no hydrogen 3.070 N/A ILE 611.A N LEU 608.A O no hydrogen 2.941 N/A ARG 612.A N LEU 608.A O no hydrogen 3.343 N/A ARG 612.A NH1 ASN 615.A O no hydrogen 3.103 N/A ARG 612.A NH1 ALA 618.A O no hydrogen 2.640 N/A LEU 613.A N SER 609.A O no hydrogen 3.362 N/A GLU 614.A N ILE 611.A O no hydrogen 3.113 N/A ASN 615.A ND2 ASP 626.A OD2 no hydrogen 3.296 N/A ALA 618.A N ASN 615.A OD1 no hydrogen 3.022 N/A TYR 620.A N ASP 589.A OD1 no hydrogen 2.839 N/A TYR 620.A OH LEU 608.A O no hydrogen 2.583 N/A ALA 623.A N PRO 619.A O no hydrogen 3.362 N/A MET 624.A N TYR 620.A O no hydrogen 2.994 N/A MET 624.A N TYR 621.A O no hydrogen 3.161 N/A LYS 625.A N TYR 621.A O no hydrogen 3.253 N/A ASP 626.A N GLU 622.A O no hydrogen 2.549 N/A TYR 627.A OH ASP 635.A OD1 no hydrogen 2.732 N/A LEU 628.A N MET 624.A O no hydrogen 3.076 N/A ALA 629.A N LYS 625.A O no hydrogen 2.865 N/A GLY 631.A N LEU 628.A O no hydrogen 2.880 N/A ARG 633.A NH2 ASN 642.A OD1 no hydrogen 3.220 N/A SER 634.A N ASP 632.A OD2 no hydrogen 3.329 N/A SER 634.A OG ASP 632.A OD2 no hydrogen 2.572 N/A ASP 635.A N ASP 632.A O no hydrogen 3.127 N/A TYR 638.A N ASP 635.A OD2 no hydrogen 3.383 N/A GLN 639.A N ASP 635.A O no hydrogen 3.068 N/A LYS 640.A N GLU 636.A O no hydrogen 3.001 N/A LYS 640.A NZ VAL 601.A O no hydrogen 2.959 N/A LEU 641.A N LEU 637.A O no hydrogen 3.140 N/A ASN 642.A N TYR 638.A O no hydrogen 2.731 N/A THR 643.A N GLN 639.A O no hydrogen 2.757 N/A THR 643.A OG1 GLN 639.A O no hydrogen 3.069 N/A PHE 644.A N LYS 640.A O no hydrogen 3.189 N/A TYR 645.A N LEU 641.A O no hydrogen 2.662 N/A GLY 646.A N ASN 642.A O no hydrogen 2.891 N/A HIS 647.A N THR 643.A O no hydrogen 3.101 N/A LEU 648.A N PHE 644.A O no hydrogen 2.814 N/A GLN 649.A N TYR 645.A O no hydrogen 3.334 N/A LYS 650.A N GLY 646.A O no hydrogen 3.202 N/A TRP 651.A N HIS 647.A O no hydrogen 2.656 N/A TRP 651.A NE1 ASP 670.A OD2 no hydrogen 3.125 N/A ARG 652.A N LEU 648.A O no hydrogen 2.655 N/A ARG 652.A NH1 ILE 583.A O no hydrogen 2.667 N/A ARG 652.A NH1 ASP 584.A O no hydrogen 2.912 N/A ALA 653.A N GLN 649.A O no hydrogen 3.250 N/A PHE 654.A N LYS 650.A O no hydrogen 2.877 N/A SER 655.A N TRP 651.A O no hydrogen 3.014 N/A SER 655.A OG TRP 651.A O no hydrogen 3.521 N/A SER 655.A OG ARG 652.A O no hydrogen 3.124 N/A LYS 656.A N ALA 653.A O no hydrogen 3.113 N/A ASN 657.A N PHE 654.A O no hydrogen 3.194 N/A HIS 658.A N PHE 654.A O no hydrogen 2.973 N/A HIS 658.A ND1 PHE 654.A O no hydrogen 2.801 N/A SER 659.A N GLU 662.A OE1 no hydrogen 3.098 N/A SER 659.A OG SER 661.A OG no hydrogen 3.237 N/A SER 661.A OG SER 659.A OG no hydrogen 3.237 N/A GLU 662.A N SER 659.A OG no hydrogen 3.411 N/A LEU 663.A N SER 659.A O no hydrogen 3.056 N/A ILE 664.A N VAL 660.A O no hydrogen 2.967 N/A TRP 665.A N SER 661.A O no hydrogen 3.182 N/A GLU 666.A N GLU 662.A O no hydrogen 2.922 N/A VAL 667.A N LEU 663.A O no hydrogen 2.858 N/A TYR 668.A N ILE 664.A O no hydrogen 2.923 N/A TYR 668.A OH LEU 690.A O no hydrogen 2.569 N/A ARG 669.A N TRP 665.A O no hydrogen 2.978 N/A ASP 670.A N GLU 666.A O no hydrogen 2.857 N/A THR 671.A N VAL 667.A O no hydrogen 3.048 N/A THR 671.A OG1 VAL 667.A O no hydrogen 2.739 N/A TYR 673.A N THR 671.A OG1 no hydrogen 3.118 N/A TYR 676.A N LYS 672.A O no hydrogen 2.874 N/A VAL 677.A N TYR 673.A O no hydrogen 2.787 N/A GLY 678.A N ASP 675.A O no hydrogen 3.124 N/A GLY 679.A N TYR 676.A O no hydrogen 2.909 N/A GLN 685.A NE2 GLN 685.A O no hydrogen 3.445 N/A GLN 685.A NE2 ASN 689.A OD1 no hydrogen 2.970 N/A ARG 686.A N GLY 682.A O no hydrogen 3.068 N/A ARG 686.A NE PRO 681.A O no hydrogen 2.681 N/A ARG 686.A NH1 GLU 572.A OE2 no hydrogen 2.544 N/A ARG 686.A NH2 PRO 681.A O no hydrogen 2.994 N/A GLN 687.A N GLY 683.A O no hydrogen 3.029 N/A GLN 687.A NE2 MET 674.A O no hydrogen 2.982 N/A ALA 688.A N LYS 684.A O no hydrogen 3.197 N/A ASN 689.A N GLN 685.A O no hydrogen 2.921 N/A LEU 690.A N ARG 686.A O no hydrogen 2.923 N/A ARG 691.A N GLN 687.A O no hydrogen 2.936 N/A ARG 691.A N ALA 688.A O no hydrogen 2.873 N/A VAL 692.A N ALA 688.A O no hydrogen 2.871 N/A LEU 693.A N ASN 689.A O no hydrogen 3.420 N/A ASP 695.A N ARG 691.A O no hydrogen 3.172 N/A ARG 696.A N VAL 692.A O no hydrogen 2.697 N/A ALA 697.A N LEU 693.A O no hydrogen 3.092 N/A ARG 698.A N TYR 694.A O no hydrogen 3.041 N/A ARG 698.A NH1 GLU 701.A OE2 no hydrogen 3.454 N/A GLN 699.A N ASP 695.A O no hydrogen 2.854 N/A TYR 700.A N ALA 697.A O no hydrogen 3.117 N/A TYR 700.A OH GLY 707.A O no hydrogen 2.919 N/A GLU 701.A N ALA 697.A O no hydrogen 3.220 N/A GLU 701.A N ARG 698.A O no hydrogen 3.192 N/A SER 702.A OG GLN 699.A O no hydrogen 2.851 N/A THR 703.A N TYR 700.A O no hydrogen 3.292 N/A THR 703.A OG1 GLU 128.A OE2 no hydrogen 3.563 N/A THR 703.A OG1 GLN 699.A O no hydrogen 3.224 N/A THR 703.A OG1 TYR 700.A O no hydrogen 3.352 N/A PHE 711.A N GLY 707.A O no hydrogen 3.412 N/A LEU 712.A N LEU 708.A O no hydrogen 3.042 N/A ARG 713.A N PHE 709.A O no hydrogen 3.202 N/A PHE 714.A N ARG 710.A O no hydrogen 2.731 N/A ILE 715.A N PHE 711.A O no hydrogen 2.949 N/A GLU 716.A N LEU 712.A O no hydrogen 2.683 N/A ARG 717.A N ARG 713.A O no hydrogen 2.660 N/A ARG 717.A NH1 GLU 720.A OE2 no hydrogen 3.522 N/A MET 718.A N PHE 714.A O no hydrogen 3.265 N/A GLN 719.A N ILE 715.A O no hydrogen 2.983 N/A GLU 720.A N GLU 716.A O no hydrogen 3.027 N/A ARG 721.A N ARG 717.A O no hydrogen 3.135 N/A ASP 723.A N MET 718.A O no hydrogen 2.579 N/A ASP 726.A N GLU 725.A OE2 no hydrogen 2.975 N/A ARG 729.A NH1 ARG 533.A O no hydrogen 2.686 N/A LEU 730.A N TYR 560.A O no hydrogen 2.763 N/A MET 731.A N ILE 537.A O no hydrogen 3.189 N/A THR 732.A OG1 SER 735.A OG no hydrogen 2.776 N/A ILE 733.A N LEU 539.A O no hydrogen 2.905 N/A HIS 734.A NE2 ILE 409.A O no hydrogen 3.121 N/A SER 735.A N THR 732.A O no hydrogen 3.099 N/A SER 735.A N THR 732.A OG1 no hydrogen 3.264 N/A SER 735.A OG THR 732.A O no hydrogen 2.750 N/A SER 735.A OG THR 732.A OG1 no hydrogen 2.776 N/A SER 736.A N ILE 733.A O no hydrogen 3.105 N/A SER 736.A OG THR 732.A O no hydrogen 3.120 N/A SER 736.A OG ILE 733.A O no hydrogen 2.932 N/A LEU 739.A N SER 736.A O no hydrogen 2.882 N/A PHE 741.A N ARG 813.A O no hydrogen 2.901 N/A VAL 743.A N ASP 534.A O no hydrogen 3.223 N/A VAL 744.A N LYS 817.A O no hydrogen 3.146 N/A PHE 745.A N VAL 536.A O no hydrogen 2.751 N/A VAL 746.A N PHE 819.A O no hydrogen 2.867 N/A ALA 747.A N LEU 538.A O no hydrogen 3.319 N/A GLY 748.A N GLU 504.A OE2 no hydrogen 2.911 N/A LEU 749.A N ILE 821.A O no hydrogen 3.392 N/A ARG 751.A N GLY 748.A O no hydrogen 2.952 N/A PHE 753.A N ARG 854.A O no hydrogen 2.861 N/A MET 756.A N ASN 754.A OD1 no hydrogen 2.868 N/A LEU 758.A N MET 755.A O no hydrogen 2.859 N/A LEU 763.A N GLY 771.A O no hydrogen 2.803 N/A ASP 765.A N GLY 769.A O no hydrogen 2.849 N/A LYS 766.A NZ GLU 416.A OE1 no hydrogen 2.796 N/A LEU 768.A N ASP 765.A OD1 no hydrogen 2.910 N/A GLY 769.A N ASP 765.A O no hydrogen 2.965 N/A GLY 771.A N LEU 763.A O no hydrogen 2.944 N/A THR 772.A OG1 TYR 159.A OH no hydrogen 2.592 N/A THR 772.A OG1 SER 761.A O no hydrogen 2.883 N/A THR 772.A OG1 LYS 773.A O no hydrogen 3.331 N/A LYS 773.A N SER 761.A O no hydrogen 2.801 N/A TYR 774.A N TYR 783.A O no hydrogen 2.813 N/A TYR 774.A OH GLU 306.A OE1 no hydrogen 2.718 N/A HIS 776.A N ILE 781.A O no hydrogen 2.793 N/A ARG 780.A NH2 PRO 777.A O no hydrogen 3.283 N/A ILE 781.A N HIS 776.A O no hydrogen 3.178 N/A TYR 783.A N TYR 774.A O no hydrogen 2.957 N/A TYR 783.A OH SER 303.A OG no hydrogen 2.670 N/A THR 785.A OG1 THR 772.A O no hydrogen 2.905 N/A ILE 789.A N THR 785.A O no hydrogen 3.042 N/A ALA 790.A N LEU 786.A O no hydrogen 2.895 N/A MET 791.A N PRO 787.A O no hydrogen 2.722 N/A LYS 792.A N LEU 788.A O no hydrogen 3.045 N/A LYS 793.A N ILE 789.A O no hydrogen 3.116 N/A LYS 793.A NZ ASP 216.A OD2 no hydrogen 3.207 N/A LYS 793.A NZ ASP 291.A OD2 no hydrogen 3.496 N/A LYS 794.A N ALA 790.A O no hydrogen 3.142 N/A LYS 794.A NZ ASP 765.A OD1 no hydrogen 2.890 N/A LYS 794.A NZ ASP 765.A OD2 no hydrogen 2.994 N/A MET 795.A N MET 791.A O no hydrogen 2.889 N/A ARG 796.A N LYS 792.A O no hydrogen 2.729 N/A ARG 797.A N LYS 793.A O no hydrogen 3.341 N/A ARG 797.A N LYS 794.A O no hydrogen 3.096 N/A ARG 797.A NH1 GLU 215.A OE1 no hydrogen 2.757 N/A ARG 797.A NH2 GLU 215.A OE1 no hydrogen 2.912 N/A GLU 798.A N LYS 794.A O no hydrogen 3.026 N/A LEU 799.A N MET 795.A O no hydrogen 2.841 N/A LEU 800.A N ARG 796.A O no hydrogen 2.991 N/A SER 801.A N ARG 797.A O no hydrogen 3.360 N/A SER 801.A OG ILE 466.A O no hydrogen 2.514 N/A SER 801.A OG GLU 468.A OE2 no hydrogen 2.807 N/A SER 801.A OG ARG 797.A O no hydrogen 2.588 N/A GLU 802.A N GLU 798.A O no hydrogen 3.172 N/A GLU 803.A N LEU 799.A O no hydrogen 3.296 N/A LEU 804.A N LEU 800.A O no hydrogen 3.195 N/A ARG 805.A N SER 801.A O no hydrogen 3.182 N/A ARG 805.A N GLU 802.A O no hydrogen 3.121 N/A ARG 805.A NH2 GLY 467.A O no hydrogen 3.416 N/A VAL 806.A N GLU 802.A O no hydrogen 2.864 N/A LEU 807.A N GLU 803.A O no hydrogen 2.915 N/A TYR 808.A N ARG 805.A O no hydrogen 2.905 N/A VAL 809.A N ARG 805.A O no hydrogen 2.945 N/A ALA 810.A N VAL 806.A O no hydrogen 3.262 N/A LEU 811.A N LEU 807.A O no hydrogen 3.456 N/A THR 812.A OG1 TYR 808.A O no hydrogen 2.730 N/A THR 812.A OG1 VAL 809.A O no hydrogen 3.029 N/A ARG 813.A N ALA 810.A O no hydrogen 3.328 N/A ARG 813.A NE VAL 809.A O no hydrogen 3.067 N/A ARG 813.A NE THR 812.A OG1 no hydrogen 3.354 N/A ARG 813.A NH1 LYS 737.A O no hydrogen 2.869 N/A ARG 813.A NH2 GLN 407.A OE1 no hydrogen 3.470 N/A ARG 813.A NH2 THR 812.A OG1 no hydrogen 3.038 N/A LYS 815.A N PHE 741.A O no hydrogen 2.750 N/A GLU 816.A N PRO 742.A O no hydrogen 3.198 N/A LYS 817.A N PRO 742.A O no hydrogen 2.758 N/A PHE 819.A N VAL 744.A O no hydrogen 2.803 N/A LEU 820.A N GLU 492.A O no hydrogen 2.650 N/A ILE 821.A N VAL 746.A O no hydrogen 3.099 N/A GLY 822.A N LEU 494.A O no hydrogen 3.327 N/A SER 823.A OG GLU 504.A OE1 no hydrogen 3.126 N/A CYS 824.A N ILE 496.A O no hydrogen 2.953 N/A LYS 829.A N ASP 826.A OD2 no hydrogen 2.971 N/A ALA 832.A N GLN 828.A O no hydrogen 2.949 N/A LYS 833.A N LYS 829.A O no hydrogen 2.835 N/A TRP 834.A N GLN 830.A O no hydrogen 2.707 N/A GLN 835.A N LEU 831.A O no hydrogen 2.835 N/A ALA 836.A N ALA 832.A O no hydrogen 3.014 N/A SER 837.A N TRP 834.A O no hydrogen 2.865 N/A SER 837.A OG TRP 834.A O no hydrogen 2.618 N/A ALA 838.A N TRP 834.A O no hydrogen 2.879 N/A ALA 838.A N GLN 835.A O no hydrogen 3.221 N/A LEU 845.A N GLN 460.A O no hydrogen 2.817 N/A ARG 850.A N PRO 846.A O no hydrogen 3.252 N/A ARG 850.A NE LEU 845.A O no hydrogen 3.313 N/A ARG 850.A NH2 LEU 845.A O no hydrogen 3.190 N/A GLN 852.A N PHE 848.A O no hydrogen 2.981 N/A ALA 853.A N ARG 850.A O no hydrogen 3.059 N/A ARG 854.A N ASP 858.A OD2 no hydrogen 3.402 N/A THR 855.A OG1 ASN 752.A OD1 no hydrogen 2.849 N/A TYR 856.A OH GLU 803.A O no hydrogen 3.094 N/A LEU 857.A N LEU 749.A O no hydrogen 2.817 N/A ASP 858.A N THR 855.A O no hydrogen 2.645 N/A PHE 859.A N TYR 856.A O no hydrogen 2.852 N/A ILE 860.A N TYR 856.A O no hydrogen 3.102 N/A GLY 861.A N LEU 857.A O no hydrogen 2.752 N/A LEU 864.A N GLY 861.A O no hydrogen 2.890 N/A ALA 865.A N GLY 861.A O no hydrogen 2.902 N/A ARG 866.A NH2 TRP 843.A O no hydrogen 3.519 N/A HIS 867.A N LEU 864.A O no hydrogen 3.072 N/A ARG 868.A NH1 PHE 879.A O no hydrogen 2.660 N/A SER 873.A OG HIS 869.A O no hydrogen 2.707 N/A SER 873.A OG ALA 870.A O no hydrogen 3.445 N/A GLY 874.A N ALA 870.A O no hydrogen 3.073 N/A ALA 877.A N HIS 875.A O no hydrogen 2.537 N/A ALA 880.A N THR 491.A O no hydrogen 2.881 N/A GLN 882.A N LEU 493.A O no hydrogen 2.940 N/A ILE 884.A N LEU 495.A O no hydrogen 2.725 N/A SER 886.A OG HIS 885.A O no hydrogen 2.656 N/A TYR 887.A N HIS 885.A O no hydrogen 2.795 N/A ALA 894.A N GLU 890.A O no hydrogen 2.697 N/A ILE 895.A N ARG 891.A O no hydrogen 2.577 N/A ARG 896.A N LEU 892.A O no hydrogen 2.521 N/A ARG 896.A NE GLU 893.A OE2 no hydrogen 2.657 N/A ARG 896.A NH2 GLU 893.A OE2 no hydrogen 3.032 N/A ARG 897.A N ALA 894.A O no hydrogen 2.883 N/A ASP 905.A N PHE 902.A O no hydrogen 2.858 N/A ALA 908.A N PHE 904.A O no hydrogen 3.148 N/A ARG 909.A NH1 ARG 909.A O no hydrogen 2.844 N/A GLU 910.A N LYS 907.A O no hydrogen 3.078 N/A GLN 911.A N LYS 907.A O no hydrogen 3.098 N/A LEU 912.A N ALA 908.A O no hydrogen 3.383 N/A SER 913.A N GLU 910.A O no hydrogen 3.081 N/A SER 913.A OG ARG 909.A O no hydrogen 2.970 N/A SER 913.A OG GLU 910.A O no hydrogen 2.918 N/A TRP 914.A N GLN 911.A O no hydrogen 3.427 N/A HIS 918.A ND1 GLU 1044.A OE2 no hydrogen 2.851 N/A GLN 919.A N TYR 916.A O no hydrogen 2.849 N/A GLU 920.A N GLU 920.A OE1 no hydrogen 2.633 N/A VAL 921.A N HIS 918.A O no hydrogen 2.949 N/A THR 922.A N GLN 919.A O no hydrogen 2.781 N/A THR 922.A OG1 GLN 919.A O no hydrogen 2.622 N/A LYS 927.A NZ ASP 932.A OD1 no hydrogen 2.804 N/A LYS 927.A NZ GLN 1049.A OE1 no hydrogen 2.511 N/A GLN 928.A N LEU 1047.A O no hydrogen 2.752 N/A GLN 928.A NE2 ARG 925.A O no hydrogen 3.199 N/A GLN 928.A NE2 TYR 1036.A OH no hydrogen 3.094 N/A SER 929.A N GLY 936.A O no hydrogen 2.620 N/A SER 929.A OG GLY 936.A O no hydrogen 2.855 N/A VAL 930.A N GLN 1049.A O no hydrogen 2.733 N/A TYR 934.A N ASP 932.A OD2 no hydrogen 3.404 N/A GLY 936.A N LYS 927.A O no hydrogen 3.072 N/A ARG 940.A NH1 TYR 938.A OH no hydrogen 2.571 N/A MET 944.A N PRO 941.A O no hydrogen 3.059 N/A MET 945.A N PRO 941.A O no hydrogen 2.899 N/A THR 950.A N GLU 953.A OE2 no hydrogen 3.237 N/A LYS 954.A N THR 950.A O no hydrogen 2.852 N/A LYS 954.A NZ ALA 996.A O no hydrogen 2.734 N/A GLY 955.A N ALA 951.A O no hydrogen 3.071 N/A THR 956.A N ALA 952.A O no hydrogen 3.039 N/A THR 956.A OG1 ALA 952.A O no hydrogen 3.185 N/A ALA 957.A N GLU 953.A O no hydrogen 3.117 N/A MET 958.A N LYS 954.A O no hydrogen 2.895 N/A HIS 959.A N GLY 955.A O no hydrogen 2.852 N/A HIS 959.A NE2 ASP 1053.A OD1 no hydrogen 3.151 N/A THR 960.A N THR 956.A O no hydrogen 3.072 N/A THR 960.A OG1 THR 956.A O no hydrogen 3.002 N/A VAL 961.A N ALA 957.A O no hydrogen 3.360 N/A MET 962.A N MET 958.A O no hydrogen 3.377 N/A GLN 963.A N HIS 959.A O no hydrogen 3.278 N/A GLN 963.A N THR 960.A O no hydrogen 3.010 N/A GLN 963.A NE2 GLU 1023.A OE2 no hydrogen 2.671 N/A GLN 963.A NE2 ASP 1053.A O no hydrogen 2.772 N/A HIS 964.A N THR 960.A O no hydrogen 3.164 N/A HIS 964.A N VAL 961.A O no hydrogen 2.788 N/A HIS 964.A ND1 THR 960.A O no hydrogen 3.267 N/A ILE 965.A N VAL 961.A O no hydrogen 2.874 N/A HIS 969.A ND1 VAL 970.A O no hydrogen 2.734 N/A GLU 975.A N SER 972.A OG no hydrogen 3.306 N/A ALA 976.A N SER 972.A O no hydrogen 2.946 N/A GLU 977.A N ILE 973.A O no hydrogen 3.187 N/A GLN 978.A N GLU 974.A O no hydrogen 2.921 N/A THR 979.A N GLU 975.A O no hydrogen 3.373 N/A THR 979.A OG1 GLU 975.A O no hydrogen 3.310 N/A VAL 980.A N ALA 976.A O no hydrogen 3.014 N/A HIS 981.A N GLU 977.A O no hydrogen 2.765 N/A ARG 982.A N GLN 978.A O no hydrogen 2.836 N/A LEU 983.A N THR 979.A O no hydrogen 2.984 N/A TYR 984.A N VAL 980.A O no hydrogen 3.214 N/A GLU 985.A N HIS 981.A O no hydrogen 2.841 N/A LYS 986.A N ARG 982.A O no hydrogen 2.873 N/A GLU 987.A N TYR 984.A O no hydrogen 2.999 N/A LEU 988.A N LEU 983.A O no hydrogen 2.806 N/A THR 990.A N GLN 993.A OE1 no hydrogen 2.810 N/A THR 990.A OG1 GLU 992.A OE1 no hydrogen 3.559 N/A GLU 992.A N GLU 992.A OE1 no hydrogen 2.761 N/A GLN 993.A N THR 990.A OG1 no hydrogen 3.014 N/A LYS 994.A N THR 990.A O no hydrogen 2.911 N/A LYS 994.A NZ GLU 991.A OE1 no hydrogen 2.909 N/A LYS 994.A NZ GLU 991.A OE2 no hydrogen 3.009 N/A ASP 995.A N GLU 991.A O no hydrogen 3.297 N/A ALA 996.A N GLU 992.A O no hydrogen 2.878 N/A ALA 996.A N GLN 993.A O no hydrogen 3.175 N/A ILE 997.A N LYS 994.A O no hydrogen 3.157 N/A ILE 1002.A N ILE 999.A O no hydrogen 2.877 N/A VAL 1003.A N ILE 999.A O no hydrogen 2.857 N/A GLN 1004.A N GLU 1000.A O no hydrogen 2.730 N/A PHE 1006.A N VAL 1003.A O no hydrogen 3.185 N/A HIS 1007.A N GLN 1004.A O no hydrogen 2.760 N/A THR 1008.A N PHE 1005.A O no hydrogen 2.894 N/A THR 1008.A OG1 PHE 1005.A O no hydrogen 2.576 N/A GLY 1011.A N THR 1008.A OG1 no hydrogen 3.042 N/A GLY 1012.A N THR 1008.A O no hydrogen 3.069 N/A GLN 1013.A N GLU 1009.A O no hydrogen 2.907 N/A GLN 1013.A NE2 GLU 1009.A OE2 no hydrogen 2.842 N/A LEU 1014.A N ILE 1010.A O no hydrogen 2.838 N/A ILE 1015.A N GLY 1011.A O no hydrogen 2.997 N/A GLY 1016.A N GLY 1012.A O no hydrogen 3.105 N/A LYS 1018.A N GLU 1057.A O no hydrogen 3.085 N/A LYS 1020.A NZ LEU 1014.A O no hydrogen 3.337 N/A LYS 1020.A NZ ILE 1015.A O no hydrogen 2.822 N/A ASP 1021.A N LEU 1055.A O no hydrogen 3.050 N/A ARG 1022.A N ASP 1021.A OD1 no hydrogen 2.747 N/A ARG 1022.A NH1 ILE 965.A O no hydrogen 2.755 N/A ARG 1022.A NH2 ILE 965.A O no hydrogen 3.347 N/A GLU 1023.A N ASP 1053.A O no hydrogen 2.973 N/A ILE 1024.A N ILE 1052.A O no hydrogen 2.951 N/A PHE 1026.A N GLY 1050.A O no hydrogen 2.951 N/A LEU 1028.A N VAL 1048.A O no hydrogen 2.799 N/A LEU 1030.A N LEU 1046.A O no hydrogen 2.882 N/A ALA 1032.A N GLU 1044.A O no hydrogen 3.128 N/A GLU 1034.A N PRO 1031.A O no hydrogen 2.945 N/A ILE 1035.A N ALA 1032.A O no hydrogen 3.423 N/A TYR 1036.A N ALA 1032.A O no hydrogen 3.110 N/A HIS 1040.A ND1 ASP 1038.A O no hydrogen 2.939 N/A GLU 1044.A N GLU 1044.A OE1 no hydrogen 2.730 N/A LEU 1046.A N LEU 1030.A O no hydrogen 2.709 N/A LEU 1047.A N THR 926.A O no hydrogen 2.845 N/A VAL 1048.A N LEU 1028.A O no hydrogen 2.860 N/A GLN 1049.A N GLN 928.A O no hydrogen 2.912 N/A GLY 1050.A N PHE 1026.A O no hydrogen 3.107 N/A ILE 1052.A N ILE 1024.A O no hydrogen 2.820 N/A LEU 1055.A N ASP 1021.A O no hydrogen 3.016 N/A TYR 1056.A N TYR 1063.A O no hydrogen 3.156 N/A GLU 1057.A N TRP 1019.A O no hydrogen 2.998 N/A THR 1058.A N GLY 1061.A O no hydrogen 3.051 N/A ASP 1060.A N THR 1058.A OG1 no hydrogen 3.237 N/A TYR 1063.A N TYR 1056.A O no hydrogen 2.913 N/A LEU 1065.A N CYS 1054.A O no hydrogen 2.870 N/A ALA 1066.A N ALA 1110.A O no hydrogen 3.161 N/A TYR 1067.A N ASP 1053.A OD2 no hydrogen 3.359 N/A LYS 1068.A N TYR 1112.A O no hydrogen 2.792 N/A LYS 1068.A NZ GLN 1090.A OE1 no hydrogen 2.787 N/A ILE 1072.A N ASP 1115.A OD2 no hydrogen 2.967 N/A GLU 1073.A N ASP 1115.A OD2 no hydrogen 3.004 N/A ALA 1079.A N PHE 1076.A O no hydrogen 3.118 N/A ALA 1080.A N PHE 1076.A O no hydrogen 2.978 N/A LEU 1083.A N ALA 1079.A O no hydrogen 2.866 N/A LYS 1084.A N ALA 1080.A O no hydrogen 2.806 N/A LYS 1085.A N PRO 1081.A O no hydrogen 3.266 N/A LYS 1085.A N ILE 1082.A O no hydrogen 3.110 N/A LYS 1085.A NZ GLU 1088.A OE1 no hydrogen 2.967 N/A LYS 1085.A NZ GLU 1088.A OE2 no hydrogen 2.928 N/A ARG 1086.A N ILE 1082.A O no hydrogen 3.046 N/A ARG 1086.A N LEU 1083.A O no hydrogen 3.002 N/A TYR 1087.A N LEU 1083.A O no hydrogen 3.216 N/A TYR 1087.A OH ASP 1070.A OD1 no hydrogen 2.822 N/A TYR 1087.A OH ASP 1070.A OD2 no hydrogen 2.669 N/A ILE 1091.A N TYR 1087.A O no hydrogen 3.150 N/A LEU 1093.A N THR 1089.A O no hydrogen 3.341 N/A TYR 1094.A N GLN 1090.A O no hydrogen 3.111 N/A THR 1095.A N ILE 1091.A O no hydrogen 3.014 N/A LYS 1096.A N GLN 1092.A O no hydrogen 2.785 N/A ALA 1097.A N LEU 1093.A O no hydrogen 2.755 N/A VAL 1098.A N TYR 1094.A O no hydrogen 2.987 N/A GLU 1099.A N THR 1095.A O no hydrogen 2.683 N/A GLN 1100.A N LYS 1096.A O no hydrogen 2.808 N/A ILE 1101.A N ALA 1097.A O no hydrogen 3.011 N/A ALA 1102.A N VAL 1098.A O no hydrogen 2.800 N/A VAL 1106.A N GLU 1099.A OE2 no hydrogen 3.454 N/A LYS 1107.A N LEU 1062.A O no hydrogen 3.077 N/A CYS 1109.A SG LEU 1122.A O no hydrogen 3.069 N/A ALA 1110.A N LEU 1064.A O no hydrogen 3.075 N/A LEU 1111.A N LEU 1120.A O no hydrogen 2.995 N/A TYR 1112.A N ALA 1066.A O no hydrogen 2.864 N/A TYR 1112.A OH GLU 1001.A O no hydrogen 2.762 N/A PHE 1113.A N HIS 1118.A O no hydrogen 3.139 N/A HIS 1118.A N PHE 1113.A O no hydrogen 3.150 N/A HIS 1118.A NE2 GLU 1073.A OE2 no hydrogen 3.182 N/A LEU 1120.A N LEU 1111.A O no hydrogen 3.124 N/A LEU 1122.A N CYS 1109.A O no hydrogen 2.985 N/A